*HEADER    PEPTIDE BINDING PROTEIN                 03-JUN-14   2RUH              
*TITLE     CHEMICAL SHIFT ASSIGNMENTS FOR MIP AND MDM2 IN BOUND STATE            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MIP-MDM2 FUSION, UNP RESIDUES 6-120;                       
*COMPND   5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING
*COMPND   6 PROTEIN MDM2;                                                        
*COMPND   7 EC: 6.3.2.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: MDM2;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET15B;                                    
*SOURCE   9 OTHER_DETAILS: PROTEIN EXPRESSES AS HAT-GB1-(THROMBIN CLEAVAGE       
*SOURCE  10 SITE)-MIP-(TEV CLEAVAGE SITE)-MDM2-T7TAG FUSION.                     
*KEYWDS    UBIQUITIN LIGASE, PEPTIDE BINDING PROTEIN                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.NAGATA, K.SHIRAKAWA, N.KOBAYASHI, H.SHIHEIDO, K.HORISAWA,           
*AUTHOR   2 M.KATAHIRA, N.DOI, H.YANAGAWA                                        
*REVDAT   1   15-OCT-14 2RUH    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 = 250., rk3 = 250.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=30,24,28,29, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=27,21,25,26, &end
#
#  chirality for residue 2 atoms:  CG N HD2 HD3
 &rst iat=24,20,22,23, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,32,31,27, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=36,41,39,40, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=38,44,42,43, &end
#
#  chirality for residue 3 atoms:  CG NE HD2 HD3
 &rst iat=41,47,45,46, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=34,56,37,38, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=60,65,63,64, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=58,76,61,62, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=80,85,83,84, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=78,100,81,82, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=104,109,107,108, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=106,112,110,111, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=102,115,105,106, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=119,124,122,123, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=117,136,120,121, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=140,145,143,144, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=138,160,141,142, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=166,171,175,170, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=162,179,165,166, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=183,188,186,187, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=185,191,189,190, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=188,194,192,193, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=181,203,184,185, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=207,212,210,211, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=209,214,218,213, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=205,222,208,209, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=226,231,229,230, &end
#
#  chirality for residue 12 atoms:  CB SD HG2 HG3
 &rst iat=228,234,232,233, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=224,239,227,228, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=245,251,249,250, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=241,254,244,245, &end
#
#  chirality for residue 14 atoms:  N C HA2 HA3
 &rst iat=256,261,259,260, &end
#
#  chirality for residue 15 atoms:  N C HA2 HA3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=270,275,273,274, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=277,290,280,281, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=294,299,297,298, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=292,304,295,296, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 19 atoms:  CB CD1 CD2 HG
 &rst iat=310,315,319,314, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=306,323,309,310, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=327,332,330,331, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=325,344,328,329, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=348,353,351,352, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=346,364,349,350, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=368,373,371,372, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=370,376,374,375, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=366,381,369,370, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=383,388,386,387, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=392,397,395,396, &end
#
#  chirality for residue 24 atoms:  CB SD HG2 HG3
 &rst iat=394,400,398,399, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=390,405,393,394, &end
#
#  chirality for residue 25 atoms:  CA OG HB2 HB3
 &rst iat=409,414,412,413, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=407,416,410,411, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=420,424,428,423, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=418,432,421,422, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=444,438,442,443, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=441,435,439,440, &end
#
#  chirality for residue 27 atoms:  CG N HD2 HD3
 &rst iat=438,434,436,437, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=434,446,445,441, &end
#
#  chirality for residue 28 atoms:  CA CG2 OG1 HB
 &rst iat=450,454,458,453, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=448,460,451,452, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=464,469,467,468, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=462,472,465,466, &end
#
#  chirality for residue 30 atoms:  N C HA2 HA3
 &rst iat=474,479,477,478, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=481,489,484,485, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=493,497,501,496, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=491,505,494,495, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=509,513,517,512, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=507,519,510,511, &end
#
#  chirality for residue 34 atoms:  CA CG2 OG1 HB
 &rst iat=523,527,531,526, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=521,533,524,525, &end
#
#  chirality for residue 35 atoms:  CA OG HB2 HB3
 &rst iat=537,542,540,541, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=535,544,538,539, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=550,556,554,555, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=546,561,549,550, &end
#
#  chirality for residue 37 atoms:  CA CG2 CG1 HB
 &rst iat=565,569,573,568, &end
#
#  chirality for residue 37 atoms:  CB CD1 HG12 HG13
 &rst iat=567,576,574,575, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=563,580,566,567, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=592,586,590,591, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=589,583,587,588, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=586,582,584,585, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=582,594,593,589, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=596,604,599,600, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=608,613,611,612, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=606,615,609,610, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=619,624,622,623, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=621,627,625,626, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=617,630,620,621, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=634,639,637,638, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=636,642,640,641, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=632,647,635,636, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=651,656,654,655, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=653,659,657,658, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=649,662,652,653, &end
#
#  chirality for residue 44 atoms:  CA CG2 OG1 HB
 &rst iat=666,670,674,669, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=664,676,667,668, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=680,685,683,684, &end
#
#  chirality for residue 45 atoms:  CB CD1 CD2 HG
 &rst iat=682,687,691,686, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=678,695,681,682, &end
#
#  chirality for residue 46 atoms:  CA CG1 CG2 HB
 &rst iat=699,703,707,702, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=697,711,700,701, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=717,723,721,722, &end
#
#  chirality for residue 47 atoms:  CG NE HD2 HD3
 &rst iat=720,726,724,725, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=713,735,716,717, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=747,741,745,746, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=744,738,742,743, &end
#
#  chirality for residue 48 atoms:  CG N HD2 HD3
 &rst iat=741,737,739,740, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=737,749,748,744, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=753,758,756,757, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=755,761,759,760, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=761,767,765,766, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=758,764,762,763, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=751,771,754,755, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=783,777,781,782, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=780,774,778,779, &end
#
#  chirality for residue 50 atoms:  CG N HD2 HD3
 &rst iat=777,773,775,776, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=773,785,784,780, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=789,794,792,793, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=791,796,800,795, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=787,804,790,791, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=808,813,811,812, &end
#
#  chirality for residue 52 atoms:  CB CD1 CD2 HG
 &rst iat=810,815,819,814, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=806,823,809,810, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=827,832,830,831, &end
#
#  chirality for residue 53 atoms:  CB CD1 CD2 HG
 &rst iat=829,834,838,833, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=825,842,828,829, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=846,851,849,850, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=848,854,852,853, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=854,860,858,859, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=851,857,855,856, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=844,864,847,848, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=868,873,871,872, &end
#
#  chirality for residue 55 atoms:  CB CD1 CD2 HG
 &rst iat=870,875,879,874, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=866,883,869,870, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=887,892,890,891, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=889,894,898,893, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=885,902,888,889, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=906,911,909,910, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=908,914,912,913, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=914,920,918,919, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=911,917,915,916, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=904,924,907,908, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=928,933,931,932, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=926,935,929,930, &end
#
#  chirality for residue 59 atoms:  CA CG1 CG2 HB
 &rst iat=939,943,947,942, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=937,951,940,941, &end
#
#  chirality for residue 60 atoms:  N C HA2 HA3
 &rst iat=953,958,956,957, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=960,968,963,964, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=972,977,975,976, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=974,980,978,979, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=970,985,973,974, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=989,994,992,993, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=991,997,995,996, &end
#
#  chirality for residue 63 atoms:  CD NZ HE2 HE3
 &rst iat=997,1003,1001,1002, &end
#
#  chirality for residue 63 atoms:  CG CE HD2 HD3
 &rst iat=994,1000,998,999, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=987,1007,990,991, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1011,1016,1014,1015, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1009,1019,1012,1013, &end
#
#  chirality for residue 65 atoms:  CA CG2 OG1 HB
 &rst iat=1023,1027,1031,1026, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1021,1033,1024,1025, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1037,1042,1040,1041, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1035,1054,1038,1039, &end
#
#  chirality for residue 67 atoms:  CA CG2 OG1 HB
 &rst iat=1058,1062,1066,1061, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1056,1068,1059,1060, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1072,1077,1075,1076, &end
#
#  chirality for residue 68 atoms:  CB SD HG2 HG3
 &rst iat=1074,1080,1078,1079, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1070,1085,1073,1074, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1089,1094,1092,1093, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1091,1097,1095,1096, &end
#
#  chirality for residue 69 atoms:  CD NZ HE2 HE3
 &rst iat=1097,1103,1101,1102, &end
#
#  chirality for residue 69 atoms:  CG CE HD2 HD3
 &rst iat=1094,1100,1098,1099, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1087,1107,1090,1091, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1111,1116,1114,1115, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1113,1119,1117,1118, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1109,1122,1112,1113, &end
#
#  chirality for residue 71 atoms:  CA CG1 CG2 HB
 &rst iat=1126,1130,1134,1129, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1124,1138,1127,1128, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1142,1147,1145,1146, &end
#
#  chirality for residue 72 atoms:  CB CD1 CD2 HG
 &rst iat=1144,1149,1153,1148, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1140,1157,1143,1144, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1161,1166,1164,1165, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1159,1177,1162,1163, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1181,1186,1184,1185, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1179,1198,1182,1183, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1202,1207,1205,1206, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1204,1209,1213,1208, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1200,1217,1203,1204, &end
#
#  chirality for residue 76 atoms:  N C HA2 HA3
 &rst iat=1219,1224,1222,1223, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1228,1233,1231,1232, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1230,1236,1234,1235, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1226,1241,1229,1230, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1243,1262,1246,1247, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=1266,1270,1274,1269, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=1268,1277,1275,1276, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1264,1281,1267,1268, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1285,1290,1288,1289, &end
#
#  chirality for residue 80 atoms:  CB SD HG2 HG3
 &rst iat=1287,1293,1291,1292, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1283,1298,1286,1287, &end
#
#  chirality for residue 81 atoms:  CA CG2 OG1 HB
 &rst iat=1302,1306,1310,1305, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1300,1312,1303,1304, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1316,1321,1319,1320, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1318,1324,1322,1323, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1324,1330,1328,1329, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1321,1327,1325,1326, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1314,1334,1317,1318, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1338,1343,1341,1342, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1340,1346,1344,1345, &end
#
#  chirality for residue 83 atoms:  CG NE HD2 HD3
 &rst iat=1343,1349,1347,1348, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1336,1358,1339,1340, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1362,1367,1365,1366, &end
#
#  chirality for residue 84 atoms:  CB CD1 CD2 HG
 &rst iat=1364,1369,1373,1368, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1360,1377,1363,1364, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1381,1386,1384,1385, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1379,1398,1382,1383, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1402,1407,1405,1406, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1400,1410,1403,1404, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1416,1422,1420,1421, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1412,1425,1415,1416, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1429,1434,1432,1433, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1431,1437,1435,1436, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=1437,1443,1441,1442, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=1434,1440,1438,1439, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1427,1447,1430,1431, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1451,1456,1454,1455, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1453,1459,1457,1458, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1449,1464,1452,1453, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1468,1473,1471,1472, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1466,1481,1469,1470, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1485,1490,1488,1489, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1483,1498,1486,1487, &end
#
#  chirality for residue 92 atoms:  CA CG2 CG1 HB
 &rst iat=1502,1506,1510,1505, &end
#
#  chirality for residue 92 atoms:  CB CD1 HG12 HG13
 &rst iat=1504,1513,1511,1512, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1500,1517,1503,1504, &end
#
#  chirality for residue 93 atoms:  CA CG1 CG2 HB
 &rst iat=1521,1525,1529,1524, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1519,1533,1522,1523, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1537,1542,1540,1541, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1535,1554,1538,1539, &end
#
#  chirality for residue 95 atoms:  CA SG HB2 HB3
 &rst iat=1558,1563,1561,1562, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1556,1565,1559,1560, &end
#
#  chirality for residue 96 atoms:  CA OG HB2 HB3
 &rst iat=1569,1574,1572,1573, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1567,1576,1570,1571, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1580,1585,1583,1584, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1578,1590,1581,1582, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1594,1599,1597,1598, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1592,1602,1595,1596, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1606,1611,1609,1610, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1608,1613,1617,1612, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1604,1621,1607,1608, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1625,1630,1628,1629, &end
#
#  chirality for residue 100 atoms:  CB CD1 CD2 HG
 &rst iat=1627,1632,1636,1631, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1623,1640,1626,1627, &end
#
#  chirality for residue 101 atoms:  N C HA2 HA3
 &rst iat=1642,1647,1645,1646, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1651,1656,1654,1655, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1649,1659,1652,1653, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1663,1668,1666,1667, &end
#
#  chirality for residue 103 atoms:  CB CD1 CD2 HG
 &rst iat=1665,1670,1674,1669, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1661,1678,1664,1665, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1682,1687,1685,1686, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1680,1698,1683,1684, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1700,1705,1703,1704, &end
#
#  chirality for residue 106 atoms:  CA CG1 CG2 HB
 &rst iat=1709,1713,1717,1712, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1707,1721,1710,1711, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1733,1727,1731,1732, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1730,1724,1728,1729, &end
#
#  chirality for residue 107 atoms:  CG N HD2 HD3
 &rst iat=1727,1723,1725,1726, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1723,1735,1734,1730, &end
#
#  chirality for residue 108 atoms:  CA OG HB2 HB3
 &rst iat=1739,1744,1742,1743, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1737,1746,1740,1741, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1750,1755,1753,1754, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1748,1766,1751,1752, &end
#
#  chirality for residue 110 atoms:  CA OG HB2 HB3
 &rst iat=1770,1775,1773,1774, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1768,1777,1771,1772, &end
#
#  chirality for residue 111 atoms:  CA CG1 CG2 HB
 &rst iat=1781,1785,1789,1784, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1779,1793,1782,1783, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1797,1802,1800,1801, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1799,1805,1803,1804, &end
#
#  chirality for residue 112 atoms:  CD NZ HE2 HE3
 &rst iat=1805,1811,1809,1810, &end
#
#  chirality for residue 112 atoms:  CG CE HD2 HD3
 &rst iat=1802,1808,1806,1807, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1795,1815,1798,1799, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1819,1824,1822,1823, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1821,1827,1825,1826, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1817,1830,1820,1821, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1834,1839,1837,1838, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1832,1847,1835,1836, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1851,1856,1854,1855, &end
#
#  chirality for residue 115 atoms:  CB CD HG2 HG3
 &rst iat=1853,1859,1857,1858, &end
#
#  chirality for residue 115 atoms:  CG NE HD2 HD3
 &rst iat=1856,1862,1860,1861, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1849,1871,1852,1853, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1875,1880,1878,1879, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1877,1883,1881,1882, &end
#
#  chirality for residue 116 atoms:  CD NZ HE2 HE3
 &rst iat=1883,1889,1887,1888, &end
#
#  chirality for residue 116 atoms:  CG CE HD2 HD3
 &rst iat=1880,1886,1884,1885, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1873,1893,1876,1877, &end
#
#  chirality for residue 117 atoms:  CA CG2 CG1 HB
 &rst iat=1897,1901,1905,1900, &end
#
#  chirality for residue 117 atoms:  CB CD1 HG12 HG13
 &rst iat=1899,1908,1906,1907, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1895,1912,1898,1899, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1916,1921,1919,1920, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1914,1933,1917,1918, &end
#
#  chirality for residue 119 atoms:  CA CG2 OG1 HB
 &rst iat=1937,1941,1945,1940, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1935,1947,1938,1939, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1951,1956,1954,1955, &end
#
#  chirality for residue 120 atoms:  CB SD HG2 HG3
 &rst iat=1953,1959,1957,1958, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1949,1964,1952,1953, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1968,1973,1971,1972, &end
#
#  chirality for residue 121 atoms:  CB SD HG2 HG3
 &rst iat=1970,1976,1974,1975, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1966,1981,1969,1970, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1983,1991,1986,1987, &end
#
#  chirality for residue 123 atoms:  CA OG HB2 HB3
 &rst iat=1995,2000,1998,1999, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1993,2002,1996,1997, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=2006,2011,2009,2010, &end
#
#  chirality for residue 124 atoms:  CB SD HG2 HG3
 &rst iat=2008,2014,2012,2013, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=2004,2019,2007,2008, &end
#
#  chirality for residue 125 atoms:  CA CG2 OG1 HB
 &rst iat=2023,2027,2031,2026, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=2021,2033,2024,2025, &end
#
#  chirality for residue 126 atoms:  N C HA2 HA3
 &rst iat=2035,2040,2038,2039, &end
#
#  chirality for residue 127 atoms:  N C HA2 HA3
 &rst iat=2042,2047,2045,2046, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=2051,2056,2054,2055, &end
#
#  chirality for residue 128 atoms:  CB CD HG2 HG3
 &rst iat=2053,2059,2057,2058, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=2049,2064,2052,2053, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=2068,2073,2071,2072, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=2070,2076,2074,2075, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=2066,2081,2069,2070, &end
#
#  chirality for residue 130 atoms:  CA CG HB2 HB3
 &rst iat=2085,2090,2088,2089, &end
#
#  chirality for residue 130 atoms:  CB SD HG2 HG3
 &rst iat=2087,2093,2091,2092, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=2083,2098,2086,2087, &end
#
#  chirality for residue 131 atoms:  N C HA2 HA3
 &rst iat=2100,2105,2103,2104, &end
#
#  trans-omega constraint for residue 2
 &rst iat=30,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=36,34,32,30, &end
#
#  trans-omega constraint for residue 4
 &rst iat=60,58,56,36, &end
#
#  trans-omega constraint for residue 5
 &rst iat=80,78,76,60, &end
#
#  trans-omega constraint for residue 6
 &rst iat=104,102,100,80, &end
#
#  trans-omega constraint for residue 7
 &rst iat=119,117,115,104, &end
#
#  trans-omega constraint for residue 8
 &rst iat=140,138,136,119, &end
#
#  trans-omega constraint for residue 9
 &rst iat=164,162,160,140, &end
#
#  trans-omega constraint for residue 10
 &rst iat=183,181,179,164, &end
#
#  trans-omega constraint for residue 11
 &rst iat=207,205,203,183, &end
#
#  trans-omega constraint for residue 12
 &rst iat=226,224,222,207, &end
#
#  trans-omega constraint for residue 13
 &rst iat=243,241,239,226, &end
#
#  trans-omega constraint for residue 14
 &rst iat=258,256,254,243, &end
#
#  trans-omega constraint for residue 15
 &rst iat=265,263,261,258, &end
#
#  trans-omega constraint for residue 16
 &rst iat=272,270,268,265, &end
#
#  trans-omega constraint for residue 17
 &rst iat=279,277,275,272, &end
#
#  trans-omega constraint for residue 18
 &rst iat=294,292,290,279, &end
#
#  trans-omega constraint for residue 19
 &rst iat=308,306,304,294, &end
#
#  trans-omega constraint for residue 20
 &rst iat=327,325,323,308, &end
#
#  trans-omega constraint for residue 21
 &rst iat=348,346,344,327, &end
#
#  trans-omega constraint for residue 22
 &rst iat=368,366,364,348, &end
#
#  trans-omega constraint for residue 23
 &rst iat=385,383,381,368, &end
#
#  trans-omega constraint for residue 24
 &rst iat=392,390,388,385, &end
#
#  trans-omega constraint for residue 25
 &rst iat=409,407,405,392, &end
#
#  trans-omega constraint for residue 26
 &rst iat=420,418,416,409, &end
#
#  trans-omega constraint for residue 27
 &rst iat=444,434,432,420, &end
#
#  trans-omega constraint for residue 28
 &rst iat=450,448,446,444, &end
#
#  trans-omega constraint for residue 29
 &rst iat=464,462,460,450, &end
#
#  trans-omega constraint for residue 30
 &rst iat=476,474,472,464, &end
#
#  trans-omega constraint for residue 31
 &rst iat=483,481,479,476, &end
#
#  trans-omega constraint for residue 32
 &rst iat=493,491,489,483, &end
#
#  trans-omega constraint for residue 33
 &rst iat=509,507,505,493, &end
#
#  trans-omega constraint for residue 34
 &rst iat=523,521,519,509, &end
#
#  trans-omega constraint for residue 35
 &rst iat=537,535,533,523, &end
#
#  trans-omega constraint for residue 36
 &rst iat=548,546,544,537, &end
#
#  trans-omega constraint for residue 37
 &rst iat=565,563,561,548, &end
#
#  trans-omega constraint for residue 38
 &rst iat=592,582,580,565, &end
#
#  trans-omega constraint for residue 39
 &rst iat=598,596,594,592, &end
#
#  trans-omega constraint for residue 40
 &rst iat=608,606,604,598, &end
#
#  trans-omega constraint for residue 41
 &rst iat=619,617,615,608, &end
#
#  trans-omega constraint for residue 42
 &rst iat=634,632,630,619, &end
#
#  trans-omega constraint for residue 43
 &rst iat=651,649,647,634, &end
#
#  trans-omega constraint for residue 44
 &rst iat=666,664,662,651, &end
#
#  trans-omega constraint for residue 45
 &rst iat=680,678,676,666, &end
#
#  trans-omega constraint for residue 46
 &rst iat=699,697,695,680, &end
#
#  trans-omega constraint for residue 47
 &rst iat=715,713,711,699, &end
#
#  trans-omega constraint for residue 48
 &rst iat=747,737,735,715, &end
#
#  trans-omega constraint for residue 49
 &rst iat=753,751,749,747, &end
#
#  trans-omega constraint for residue 50
 &rst iat=783,773,771,753, &end
#
#  trans-omega constraint for residue 51
 &rst iat=789,787,785,783, &end
#
#  trans-omega constraint for residue 52
 &rst iat=808,806,804,789, &end
#
#  trans-omega constraint for residue 53
 &rst iat=827,825,823,808, &end
#
#  trans-omega constraint for residue 54
 &rst iat=846,844,842,827, &end
#
#  trans-omega constraint for residue 55
 &rst iat=868,866,864,846, &end
#
#  trans-omega constraint for residue 56
 &rst iat=887,885,883,868, &end
#
#  trans-omega constraint for residue 57
 &rst iat=906,904,902,887, &end
#
#  trans-omega constraint for residue 58
 &rst iat=928,926,924,906, &end
#
#  trans-omega constraint for residue 59
 &rst iat=939,937,935,928, &end
#
#  trans-omega constraint for residue 60
 &rst iat=955,953,951,939, &end
#
#  trans-omega constraint for residue 61
 &rst iat=962,960,958,955, &end
#
#  trans-omega constraint for residue 62
 &rst iat=972,970,968,962, &end
#
#  trans-omega constraint for residue 63
 &rst iat=989,987,985,972, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1011,1009,1007,989, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1023,1021,1019,1011, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1037,1035,1033,1023, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1058,1056,1054,1037, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1072,1070,1068,1058, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1089,1087,1085,1072, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1111,1109,1107,1089, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1126,1124,1122,1111, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1142,1140,1138,1126, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1161,1159,1157,1142, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1181,1179,1177,1161, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1202,1200,1198,1181, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1221,1219,1217,1202, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1228,1226,1224,1221, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1245,1243,1241,1228, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1266,1264,1262,1245, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1285,1283,1281,1266, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1302,1300,1298,1285, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1316,1314,1312,1302, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1338,1336,1334,1316, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1362,1360,1358,1338, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1381,1379,1377,1362, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1402,1400,1398,1381, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1414,1412,1410,1402, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1429,1427,1425,1414, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1451,1449,1447,1429, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1468,1466,1464,1451, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1485,1483,1481,1468, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1502,1500,1498,1485, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1521,1519,1517,1502, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1537,1535,1533,1521, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1558,1556,1554,1537, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1569,1567,1565,1558, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1580,1578,1576,1569, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1594,1592,1590,1580, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1606,1604,1602,1594, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1625,1623,1621,1606, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1644,1642,1640,1625, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1651,1649,1647,1644, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1663,1661,1659,1651, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1682,1680,1678,1663, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1702,1700,1698,1682, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1709,1707,1705,1702, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1733,1723,1721,1709, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1739,1737,1735,1733, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1750,1748,1746,1739, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1770,1768,1766,1750, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1781,1779,1777,1770, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1797,1795,1793,1781, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1819,1817,1815,1797, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1834,1832,1830,1819, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1851,1849,1847,1834, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1875,1873,1871,1851, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1897,1895,1893,1875, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1916,1914,1912,1897, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1937,1935,1933,1916, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1951,1949,1947,1937, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1968,1966,1964,1951, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1985,1983,1981,1968, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1995,1993,1991,1985, &end
#
#  trans-omega constraint for residue 124
 &rst iat=2006,2004,2002,1995, &end
#
#  trans-omega constraint for residue 125
 &rst iat=2023,2021,2019,2006, &end
#
#  trans-omega constraint for residue 126
 &rst iat=2037,2035,2033,2023, &end
#
#  trans-omega constraint for residue 127
 &rst iat=2044,2042,2040,2037, &end
#
#  trans-omega constraint for residue 128
 &rst iat=2051,2049,2047,2044, &end
#
#  trans-omega constraint for residue 129
 &rst iat=2068,2066,2064,2051, &end
#
#  trans-omega constraint for residue 130
 &rst iat=2085,2083,2081,2068, &end
#
#  trans-omega constraint for residue 131
 &rst iat=2102,2100,2098,2085, &end
#
#   4 PHE  QD     79 ILE  QG2     5.28             (#peak  2160 #SUP  0.96  #QF  0.82)
 &rst
  ixpk= 2160, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr1=  67,  75,
 igr2=1271,1272,1273,
 &end
#
#   4 PHE  QD     80 MET  QB      4.54             (#peak  2358 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 2358, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  67,  75,
 igr2=1288,1289,
 &end
#
#   4 PHE  QD     80 MET  QG      4.26             (#peak  2349)
 &rst
  ixpk= 2349, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  67,  75,
 igr2=1291,1292,
 &end
#
#   4 PHE  QE     76 GLY  HA2     4.52             (#peak  2351 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 2351, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=  69,  73,
 &end
#
#   4 PHE  QE     79 ILE  HB      4.39             (#peak  2353 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 2353, nxpk= 0, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=  69,  73,
 &end
#
#   4 PHE  QE     79 ILE  QD1     4.01             (#peak  2354 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 2354, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=  69,  73,
 igr2=1278,1279,1280,
 &end
#
#   4 PHE  QE     79 ILE  QG2     4.87             (#peak  2356 #SUP  1.00)
 &rst
  ixpk= 2356, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  69,  73,
 igr2=1271,1272,1273,
 &end
#
#   4 PHE  QE     80 MET  HN      4.81             (#peak   488 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 488, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  69,  73,
 &end
#
#   4 PHE  QE     80 MET  QE      4.78             (#peak  1169 #SUP  0.76  #QF  0.27)
 &rst
  ixpk= 1169, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=  69,  73,
 igr2=1295,1296,1297,
 &end
#
#   4 PHE  QE    111 VAL  QG2     5.50             (#peak  2357 #SUP  0.82  #QF  0.59)
 &rst
  ixpk= 2357, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69,  73,
 igr2=1790,1791,1792,
 &end
#
#   5 TRP  HA      5 TRP  HE3     4.24             (#peak  2152 #SUP  1.00)
 &rst
  ixpk= 2152, nxpk= 0, iat=  81,  98, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   5 TRP  HA      8 TRP  HB2     4.55             (#peak  2334 #SUP  0.92  #QF  0.72)
 &rst
  ixpk= 2334, nxpk= 0, iat=  81, 143, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   5 TRP  HA      8 TRP  HB3     4.55             (#peak  2334 #SUP  0.92  #QF  0.72)
 &rst
  ixpk= 2334, nxpk= 0, iat=  81, 144, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   5 TRP  HA      8 TRP  HN      4.50             (#peak  2153 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 2153, nxpk= 0, iat=  81, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   5 TRP  HA      8 TRP  QB      3.97             (#peak  2334)
 &rst
  ixpk= 2334, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 143, 144,
 &end
#
#   5 TRP  HA     80 MET  QE      4.50             (#peak  1170 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1170, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1295,1296,1297,
 &end
#
#   5 TRP  HD1     9 LEU  QD1     4.73             (#peak    60 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 60, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 172, 173, 174,
 &end
#
#   5 TRP  HD1     9 LEU  QD2     4.20             (#peak    73 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 73, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 176, 177, 178,
 &end
#
#   5 TRP  HD1    80 MET  QE      5.13             (#peak  1168 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1168, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1295,1296,1297,
 &end
#
#   5 TRP  HE1     9 LEU  QD1     3.30             (#peak    51 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 51, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 172, 173, 174,
 &end
#
#   5 TRP  HE1     9 LEU  QD2     3.58             (#peak   901 #SUP  1.00)
 &rst
  ixpk= 901, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 176, 177, 178,
 &end
#
#   5 TRP  HE3    80 MET  QE      4.07             (#peak  1167 #SUP  0.90  #QF  0.43)
 &rst
  ixpk= 1167, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1295,1296,1297,
 &end
#
#   5 TRP  HH2    12 MET  QE      3.93             (#peak  1944 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 1944, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 236, 237, 238,
 &end
#
#   5 TRP  HZ2     9 LEU  QD1     3.78             (#peak    59 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 59, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 172, 173, 174,
 &end
#
#   5 TRP  HZ2    12 MET  QE      4.29             (#peak  1943 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1943, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 236, 237, 238,
 &end
#
#   5 TRP  HZ2    73 PHE  QD      4.33             (#peak   956 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 956, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1168,1176,
 &end
#
#   5 TRP  HZ3    80 MET  QE      4.97             (#peak  1169 #SUP  0.76  #QF  0.27)
 &rst
  ixpk= 1169, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1295,1296,1297,
 &end
#
#   5 TRP  QB     80 MET  QE      4.47             (#peak  1173)
 &rst
  ixpk= 1173, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=  83,  84,
 igr2=1295,1296,1297,
 &end
#
#   6 GLU- HA      6 GLU- HG2     4.11             (#peak   133 #SUP  1.00)
 &rst
  ixpk= 133, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   6 GLU- HA      6 GLU- HG3     4.11             (#peak   132 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 132, nxpk= 0, iat= 105, 111, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   6 GLU- HA      9 LEU  HB2     4.35             (#peak    55 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 55, nxpk= 0, iat= 105, 167, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   6 GLU- HA      9 LEU  HB3     4.35             (#peak   135 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 135, nxpk= 0, iat= 105, 168, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   6 GLU- HA      9 LEU  HN      4.25             (#peak    25 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 25, nxpk= 0, iat= 105, 163, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   6 GLU- HA      9 LEU  QD1     5.13             (#peak  2129 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2129, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 172, 173, 174,
 &end
#
#   6 GLU- HA      9 LEU  QD2     3.64             (#peak    74 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 74, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 176, 177, 178,
 &end
#
#   6 GLU- HB2     7 TYR  HN      4.19             (#peak   137 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 137, nxpk= 0, iat= 107, 118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   6 GLU- HB3     7 TYR  HN      4.19             (#peak    63 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 63, nxpk= 0, iat= 108, 118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   6 GLU- HN      6 GLU- HB2     3.86             (#peak    69 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 69, nxpk= 0, iat= 103, 107, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   6 GLU- HN      6 GLU- HB3     3.86             (#peak   140 #SUP  1.00)
 &rst
  ixpk= 140, nxpk= 0, iat= 103, 108, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   6 GLU- HN      6 GLU- HG2     4.31             (#peak    68 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 68, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   6 GLU- HN      6 GLU- HG3     4.31             (#peak    67 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 67, nxpk= 0, iat= 103, 111, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   6 GLU- HN      6 GLU- QG      3.66             (#peak    67)
 &rst
  ixpk= 67, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 110, 111,
 &end
#
#   6 GLU- HN      7 TYR  HA      5.50             (#peak   118 #SUP  0.95  #QF  0.85)
 &rst
  ixpk= 118, nxpk= 0, iat= 103, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   6 GLU- HN      7 TYR  HN      3.50             (#peak    56 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 56, nxpk= 0, iat= 103, 118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 GLU- HN      8 TRP  HN      4.68             (#peak    34 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 34, nxpk= 0, iat= 103, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   6 GLU- QB      7 TYR  HN      3.57             (#peak    63)
 &rst
  ixpk= 63, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 107, 108,
 &end
#
#   6 GLU- QG      7 TYR  HN      5.34             (#peak    62)
 &rst
  ixpk= 62, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 110, 111,
 &end
#
#   7 TYR  HA      7 TYR  QD      3.87             (#peak   117 #SUP  1.00)
 &rst
  ixpk= 117, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 126, 135,
 &end
#
#   7 TYR  HA     10 ARG+ HN      4.47             (#peak   906 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 906, nxpk= 0, iat= 120, 182, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   7 TYR  HA     10 ARG+ QB      4.57             (#peak   114 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 114, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 186, 187,
 &end
#
#   7 TYR  HA     11 LEU  HN      5.50             (#peak   118 #SUP  0.95  #QF  0.85)
 &rst
  ixpk= 118, nxpk= 0, iat= 120, 206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 TYR  HB2     8 TRP  HN      4.68             (#peak   860 #SUP  1.00)
 &rst
  ixpk= 860, nxpk= 0, iat= 122, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   7 TYR  HB2   111 VAL  QG1     4.02             (#peak  1720 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1720, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1786,1787,1788,
 &end
#
#   7 TYR  HB2   111 VAL  QG2     4.69             (#peak  1738 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1738, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1790,1791,1792,
 &end
#
#   7 TYR  HB3     8 TRP  HN      4.68             (#peak   859 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 859, nxpk= 0, iat= 123, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   7 TYR  HB3   111 VAL  QG1     4.02             (#peak  1719 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1719, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1786,1787,1788,
 &end
#
#   7 TYR  HB3   111 VAL  QG2     4.69             (#peak  1737 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1737, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1790,1791,1792,
 &end
#
#   7 TYR  HN      7 TYR  HB2     4.12             (#peak    61 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 61, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   7 TYR  HN      7 TYR  HB3     4.12             (#peak    60 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 60, nxpk= 0, iat= 118, 123, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   7 TYR  HN      7 TYR  QB      3.57             (#peak    60)
 &rst
  ixpk= 60, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 122, 123,
 &end
#
#   7 TYR  HN      7 TYR  QD      3.91             (#peak    57 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 57, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 126, 135,
 &end
#
#   7 TYR  HN      8 TRP  HN      3.75             (#peak    32 #SUP  1.00)
 &rst
  ixpk= 32, nxpk= 0, iat= 118, 139, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   7 TYR  HN      8 TRP  QB      5.34             (#peak    62)
 &rst
  ixpk= 62, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 143, 144,
 &end
#
#   7 TYR  HN      9 LEU  HN      4.75             (#peak    55 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 55, nxpk= 0, iat= 118, 163, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   7 TYR  QB      8 TRP  HN      3.99             (#peak   859)
 &rst
  ixpk= 859, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 122, 123,
 &end
#
#   7 TYR  QB    111 VAL  QG1     3.36             (#peak  1720)
 &rst
  ixpk= 1720, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 122, 123,
 igr2=1786,1787,1788,
 &end
#
#   7 TYR  QB    111 VAL  QG2     4.11             (#peak  1738)
 &rst
  ixpk= 1738, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 122, 123,
 igr2=1790,1791,1792,
 &end
#
#   7 TYR  QD      8 TRP  HN      4.79             (#peak  2145 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2145, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 126, 135,
 &end
#
#   7 TYR  QD    111 VAL  QG1     4.34             (#peak  1716 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1716, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 126, 135,
 igr2=1786,1787,1788,
 &end
#
#   7 TYR  QD    111 VAL  QG2     5.44             (#peak  1730 #SUP  0.75  #QF  0.40)
 &rst
  ixpk= 1730, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 126, 135,
 igr2=1790,1791,1792,
 &end
#
#   7 TYR  QD    112 LYS+ QE      4.53             (#peak  2103)
 &rst
  ixpk= 2103, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 126, 135,
 igr2=1809,1810,
 &end
#
#   7 TYR  QE    111 VAL  QG1     5.50             (#peak  1715 #SUP  0.99  #QF  0.49)
 &rst
  ixpk= 1715, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 128, 133,
 igr2=1786,1787,1788,
 &end
#
#   7 TYR  QE    112 LYS+ HE2     4.53             (#peak  2104 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 2104, nxpk= 0, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 128, 133,
 &end
#
#   7 TYR  QE    112 LYS+ HE3     4.53             (#peak  2102 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 2102, nxpk= 0, iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 128, 133,
 &end
#
#   7 TYR  QE    112 LYS+ QD      5.34             (#peak   129)
 &rst
  ixpk= 129, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 128, 133,
 igr2=1806,1807,
 &end
#
#   7 TYR  QE    112 LYS+ QE      3.82             (#peak  2102)
 &rst
  ixpk= 2102, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 128, 133,
 igr2=1809,1810,
 &end
#
#   8 TRP  HA      8 TRP  HE3     4.09             (#peak    98 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 98, nxpk= 0, iat= 141, 158, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   8 TRP  HA     11 LEU  HB2     3.91             (#peak    96 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 96, nxpk= 0, iat= 141, 210, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   8 TRP  HA     11 LEU  HB3     4.97             (#peak    34 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 34, nxpk= 0, iat= 141, 211, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   8 TRP  HA     11 LEU  HN      4.23             (#peak    97 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 97, nxpk= 0, iat= 141, 206, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   8 TRP  HA     11 LEU  QD1     4.19             (#peak     6 #SUP  1.00)
 &rst
  ixpk= 6, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 215, 216, 217,
 &end
#
#   8 TRP  HA    111 VAL  QG1     3.57             (#peak  1718 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1718, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1786,1787,1788,
 &end
#
#   8 TRP  HA    111 VAL  QG2     5.45             (#peak  1736 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1736, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1790,1791,1792,
 &end
#
#   8 TRP  HD1    12 MET  QE      3.23             (#peak  1946 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 1946, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 236, 237, 238,
 &end
#
#   8 TRP  HE1    11 LEU  QD1     4.63             (#peak    49 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 49, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 215, 216, 217,
 &end
#
#   8 TRP  HE1    12 MET  QE      4.39             (#peak  1937 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1937, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 236, 237, 238,
 &end
#
#   8 TRP  HE1    72 LEU  HA      4.58             (#peak    43 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 43, nxpk= 0, iat= 149,1143, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   8 TRP  HE1    72 LEU  QB      4.20             (#peak   857)
 &rst
  ixpk= 857, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1145,1146,
 &end
#
#   8 TRP  HE1    72 LEU  QD2     4.27             (#peak    48 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 48, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1154,1155,1156,
 &end
#
#   8 TRP  HE1    73 PHE  HA      4.58             (#peak    42 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 42, nxpk= 0, iat= 149,1162, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   8 TRP  HE1    75 LEU  QB      4.14             (#peak    47)
 &rst
  ixpk= 47, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1205,1206,
 &end
#
#   8 TRP  HE1    76 GLY  HA2     4.09             (#peak    45 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 45, nxpk= 0, iat= 149,1222, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   8 TRP  HE1    76 GLY  HA3     4.13             (#peak    44 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 44, nxpk= 0, iat= 149,1223, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   8 TRP  HE1    76 GLY  HN      3.73             (#peak    38 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 38, nxpk= 0, iat= 149,1220, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   8 TRP  HE1    77 GLN  HN      5.34             (#peak    50 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 50, nxpk= 0, iat= 149,1227, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   8 TRP  HE3    11 LEU  QD1     4.21             (#peak    14 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 14, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 215, 216, 217,
 &end
#
#   8 TRP  HE3    79 ILE  QD1     4.81             (#peak  1117 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 1117, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1278,1279,1280,
 &end
#
#   8 TRP  HE3   111 VAL  QG1     3.51             (#peak  1711 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1711, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1786,1787,1788,
 &end
#
#   8 TRP  HE3   111 VAL  QG2     3.43             (#peak  1728 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1728, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1790,1791,1792,
 &end
#
#   8 TRP  HH2    11 LEU  QD1     4.17             (#peak    11 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 11, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 215, 216, 217,
 &end
#
#   8 TRP  HH2    72 LEU  QD2     5.39             (#peak   910 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 910, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1154,1155,1156,
 &end
#
#   8 TRP  HH2    75 LEU  HG      4.54             (#peak   111 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 111, nxpk= 0, iat= 154,1208, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   8 TRP  HH2    75 LEU  QD2     3.96             (#peak   112 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 112, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1214,1215,1216,
 &end
#
#   8 TRP  HH2    79 ILE  QD1     3.66             (#peak  2335 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 2335, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1278,1279,1280,
 &end
#
#   8 TRP  HH2    93 VAL  QQG     5.18             (#peak  2155)
 &rst
  ixpk= 2155, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#   8 TRP  HH2   111 VAL  QG2     4.98             (#peak  2154 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 2154, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1790,1791,1792,
 &end
#
#   8 TRP  HH2   117 ILE  QD1     4.43             (#peak  2310 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2310, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1909,1910,1911,
 &end
#
#   8 TRP  HH2   117 ILE  QG2     3.82             (#peak  1979 #SUP  0.89  #QF  0.73)
 &rst
  ixpk= 1979, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1902,1903,1904,
 &end
#
#   8 TRP  HN      8 TRP  HB2     4.12             (#peak   567 #SUP  0.89  #QF  0.72)
 &rst
  ixpk= 567, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   8 TRP  HN      8 TRP  HB3     4.12             (#peak   567 #SUP  0.89  #QF  0.72)
 &rst
  ixpk= 567, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   8 TRP  HN      8 TRP  QB      3.42             (#peak   567)
 &rst
  ixpk= 567, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 143, 144,
 &end
#
#   8 TRP  HN      9 LEU  HN      3.96             (#peak   853 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 853, nxpk= 0, iat= 139, 163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   8 TRP  HN     10 ARG+ HN      5.50             (#peak    33 #SUP  0.93  #QF  0.88)
 &rst
  ixpk= 33, nxpk= 0, iat= 139, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 TRP  HN    111 VAL  QG1     4.41             (#peak  1725 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1725, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1786,1787,1788,
 &end
#
#   8 TRP  HZ2    72 LEU  HA      4.48             (#peak    88 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 88, nxpk= 0, iat= 152,1143, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   8 TRP  HZ2    72 LEU  QD2     3.44             (#peak   909 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 909, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1154,1155,1156,
 &end
#
#   8 TRP  HZ2    75 LEU  HG      4.22             (#peak    86 #SUP  0.93  #QF  0.89)
 &rst
  ixpk= 86, nxpk= 0, iat= 152,1208, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   8 TRP  HZ2    75 LEU  QB      3.74             (#peak   887)
 &rst
  ixpk= 887, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1205,1206,
 &end
#
#   8 TRP  HZ2    75 LEU  QD2     3.72             (#peak  1022 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1022, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1214,1215,1216,
 &end
#
#   8 TRP  HZ2    76 GLY  HN      4.32             (#peak   445 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 445, nxpk= 0, iat= 152,1220, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   8 TRP  HZ2    79 ILE  QD1     4.45             (#peak    92 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 92, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1278,1279,1280,
 &end
#
#   8 TRP  HZ3    11 LEU  QD1     4.02             (#peak    12 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 12, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 215, 216, 217,
 &end
#
#   8 TRP  HZ3    79 ILE  QD1     3.87             (#peak  1106 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1106, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1278,1279,1280,
 &end
#
#   8 TRP  HZ3    93 VAL  QQG     3.91             (#peak  1996)
 &rst
  ixpk= 1996, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#   8 TRP  HZ3   109 PHE  HZ      4.02             (#peak  1693 #SUP  0.64  #QF  0.64)
 &rst
  ixpk= 1693, nxpk= 0, iat= 156,1761, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   8 TRP  HZ3   111 VAL  QG1     3.77             (#peak  1713 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1713, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1786,1787,1788,
 &end
#
#   8 TRP  HZ3   111 VAL  QG2     3.29             (#peak  1729 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1729, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1790,1791,1792,
 &end
#
#   8 TRP  HZ3   117 ILE  QD1     4.07             (#peak  1815 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1815, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1909,1910,1911,
 &end
#
#   8 TRP  QB      9 LEU  HN      3.83             (#peak    26)
 &rst
  ixpk= 26, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 143, 144,
 &end
#
#   8 TRP  QB    111 VAL  QG1     4.56             (#peak    84)
 &rst
  ixpk= 84, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 143, 144,
 igr2=1786,1787,1788,
 &end
#
#   9 LEU  HA      9 LEU  QD1     3.02             (#peak    61 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 61, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 172, 173, 174,
 &end
#
#   9 LEU  HA      9 LEU  QD2     4.00             (#peak    75 #SUP  1.00)
 &rst
  ixpk= 75, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 176, 177, 178,
 &end
#
#   9 LEU  HA     12 MET  HN      4.70             (#peak    66 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 66, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   9 LEU  HA     12 MET  QE      3.26             (#peak  1949 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1949, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 236, 237, 238,
 &end
#
#   9 LEU  HA     12 MET  QG      3.98             (#peak    68)
 &rst
  ixpk= 68, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 232, 233,
 &end
#
#   9 LEU  HB2     9 LEU  QD1     3.56             (#peak    63 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 63, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 172, 173, 174,
 &end
#
#   9 LEU  HB2     9 LEU  QD2     3.35             (#peak    76 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 76, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 176, 177, 178,
 &end
#
#   9 LEU  HB2    10 ARG+ HN      4.43             (#peak    20 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 20, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   9 LEU  HB3     9 LEU  QD1     3.56             (#peak    52 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 52, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 172, 173, 174,
 &end
#
#   9 LEU  HB3     9 LEU  QD2     3.35             (#peak    77 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 77, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 176, 177, 178,
 &end
#
#   9 LEU  HB3    10 ARG+ HN      4.43             (#peak    22 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 22, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   9 LEU  HN      9 LEU  HB2     3.91             (#peak    27 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 27, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   9 LEU  HN      9 LEU  HB3     3.91             (#peak    46 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 46, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   9 LEU  HN      9 LEU  HG      4.60             (#peak    29 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 29, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   9 LEU  HN      9 LEU  QB      3.34             (#peak    27)
 &rst
  ixpk= 27, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 167, 168,
 &end
#
#   9 LEU  HN      9 LEU  QD1     3.97             (#peak    58 #SUP  1.00)
 &rst
  ixpk= 58, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 172, 173, 174,
 &end
#
#   9 LEU  HN      9 LEU  QD2     4.46             (#peak    72 #SUP  1.00)
 &rst
  ixpk= 72, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 176, 177, 178,
 &end
#
#   9 LEU  HN     10 ARG+ HN      3.66             (#peak   854 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 854, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   9 LEU  QB      9 LEU  QD1     3.01             (#peak    52)
 &rst
  ixpk= 52, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 167, 168,
 igr2= 172, 173, 174,
 &end
#
#   9 LEU  QB      9 LEU  QD2     2.85             (#peak    77)
 &rst
  ixpk= 77, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 167, 168,
 igr2= 176, 177, 178,
 &end
#
#   9 LEU  QB     10 ARG+ HN      3.76             (#peak    20)
 &rst
  ixpk= 20, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 167, 168,
 &end
#
#   9 LEU  QD1    10 ARG+ HN      4.96             (#peak    23 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 23, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 172, 173, 174,
 &end
#
#   9 LEU  QD1    12 MET  QE      2.75             (#peak  1953 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1953, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 172, 173, 174,
 igr2= 236, 237, 238,
 &end
#
#  10 ARG+ HA     10 ARG+ QD      3.56             (#peak  2171 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 2171, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 192, 193,
 &end
#
#  10 ARG+ HA     10 ARG+ QG      3.59             (#peak    42 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 42, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 189, 190,
 &end
#
#  10 ARG+ HA     11 LEU  HA      5.17             (#peak    21 #SUP  0.76  #QF  0.64)
 &rst
  ixpk= 21, nxpk= 0, iat= 184, 208, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  10 ARG+ HA     13 GLU- HB2     4.52             (#peak    41 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 41, nxpk= 0, iat= 184, 246, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  10 ARG+ HA     13 GLU- HB3     4.52             (#peak   155 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 155, nxpk= 0, iat= 184, 247, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  10 ARG+ HA     13 GLU- HN      4.11             (#peak    73 #SUP  0.54  #QF  0.54)
 &rst
  ixpk= 73, nxpk= 0, iat= 184, 242, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  10 ARG+ HA     13 GLU- QB      3.77             (#peak    41)
 &rst
  ixpk= 41, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 246, 247,
 &end
#
#  10 ARG+ HA    114 HIS  HE1     4.95             (#peak  2348 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 2348, nxpk= 0, iat= 184,1843, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  10 ARG+ HN     10 ARG+ QB      3.55             (#peak    18 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 18, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 186, 187,
 &end
#
#  10 ARG+ HN     10 ARG+ QD      4.56             (#peak    17 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 17, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 192, 193,
 &end
#
#  10 ARG+ HN     10 ARG+ QG      4.00             (#peak    19 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 19, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 189, 190,
 &end
#
#  10 ARG+ HN     11 LEU  HB2     4.77             (#peak    21 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 21, nxpk= 0, iat= 182, 210, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  10 ARG+ HN     11 LEU  HN      3.63             (#peak    14 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 14, nxpk= 0, iat= 182, 206, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  10 ARG+ HN     12 MET  HN      4.92             (#peak   831 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 831, nxpk= 0, iat= 182, 225, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  10 ARG+ QB     11 LEU  HN      4.03             (#peak     6 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 186, 187,
 &end
#
#  10 ARG+ QB    114 HIS  HE1     3.99             (#peak  2346 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 2346, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 186, 187,
 &end
#
#  10 ARG+ QG     11 LEU  HN      4.63             (#peak     5 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 189, 190,
 &end
#
#  10 ARG+ QG    114 HIS  HE1     4.29             (#peak  2345 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 2345, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 189, 190,
 &end
#
#  11 LEU  HA     11 LEU  HG      3.99             (#peak    18 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 18, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  11 LEU  HA     11 LEU  QD1     4.17             (#peak     5 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 5, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 215, 216, 217,
 &end
#
#  11 LEU  HA     11 LEU  QD2     3.56             (#peak  2013 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2013, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 219, 220, 221,
 &end
#
#  11 LEU  HA    114 HIS  HA      5.50             (#peak    21 #SUP  0.76  #QF  0.64)
 &rst
  ixpk= 21, nxpk= 0, iat= 208,1835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 LEU  HA    114 HIS  HE1     4.58             (#peak  2347 #SUP  0.39  #QF  0.39)
 &rst
  ixpk= 2347, nxpk= 0, iat= 208,1843, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  11 LEU  HB2    11 LEU  QD1     3.48             (#peak     4 #SUP  1.00)
 &rst
  ixpk= 4, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 215, 216, 217,
 &end
#
#  11 LEU  HB2    11 LEU  QD2     3.93             (#peak  2015 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 2015, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 219, 220, 221,
 &end
#
#  11 LEU  HB2    12 MET  HN      3.95             (#peak   835 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 835, nxpk= 0, iat= 210, 225, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  11 LEU  HB3    11 LEU  QD1     3.63             (#peak     2 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 2, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 215, 216, 217,
 &end
#
#  11 LEU  HB3    11 LEU  QD2     3.69             (#peak  2017 #SUP  1.00)
 &rst
  ixpk= 2017, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 219, 220, 221,
 &end
#
#  11 LEU  HB3    12 MET  HN      4.29             (#peak   836 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 836, nxpk= 0, iat= 211, 225, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  11 LEU  HB3    72 LEU  QD2     4.71             (#peak    28 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 28, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1154,1155,1156,
 &end
#
#  11 LEU  HG     12 MET  HN      5.08             (#peak   837 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 837, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  11 LEU  HG    118 TYR  QE      5.41             (#peak  2301 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2301, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1925,1930,
 &end
#
#  11 LEU  HN     11 LEU  HB2     3.61             (#peak     4 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 4, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  11 LEU  HN     11 LEU  HB3     3.72             (#peak     3 #SUP  1.00)
 &rst
  ixpk= 3, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  11 LEU  HN     11 LEU  HG      4.24             (#peak     2 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 2, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  11 LEU  HN     11 LEU  QD1     4.19             (#peak    13 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 13, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 215, 216, 217,
 &end
#
#  11 LEU  HN     11 LEU  QD2     4.59             (#peak     1 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 219, 220, 221,
 &end
#
#  11 LEU  HN     12 MET  HN      3.59             (#peak   830 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 830, nxpk= 0, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  11 LEU  QD1    12 MET  HA      5.50             (#peak  1932 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1932, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 215, 216, 217,
 &end
#
#  11 LEU  QD1    12 MET  HN      4.39             (#peak   838 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 838, nxpk= 0, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 215, 216, 217,
 &end
#
#  11 LEU  QD1    72 LEU  QD1     4.05             (#peak   935 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 935, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 215, 216, 217,
 igr2=1150,1151,1152,
 &end
#
#  11 LEU  QD1    72 LEU  QD2     3.21             (#peak   920 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 920, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 215, 216, 217,
 igr2=1154,1155,1156,
 &end
#
#  11 LEU  QD1   111 VAL  HA      4.63             (#peak  1698 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1698, nxpk= 0, iat=  -1,1782, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 215, 216, 217,
 &end
#
#  11 LEU  QD1   111 VAL  QG1     3.36             (#peak     3 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 215, 216, 217,
 igr2=1786,1787,1788,
 &end
#
#  11 LEU  QD1   111 VAL  QG2     4.38             (#peak  1745 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1745, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 215, 216, 217,
 igr2=1790,1791,1792,
 &end
#
#  11 LEU  QD1   114 HIS  HA      4.30             (#peak     9 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 9, nxpk= 0, iat=  -1,1835, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 215, 216, 217,
 &end
#
#  11 LEU  QD1   117 ILE  QD1     3.25             (#peak  1825 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1825, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 215, 216, 217,
 igr2=1909,1910,1911,
 &end
#
#  11 LEU  QD1   117 ILE  QG2     3.02             (#peak  1992 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1992, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 215, 216, 217,
 igr2=1902,1903,1904,
 &end
#
#  11 LEU  QD1   118 TYR  QE      4.27             (#peak    10 #SUP  1.00)
 &rst
  ixpk= 10, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 215, 216, 217,
 igr2=1925,1930,
 &end
#
#  11 LEU  QD2   111 VAL  HA      5.01             (#peak  1699 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1699, nxpk= 0, iat=  -1,1782, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   111 VAL  QG1     3.85             (#peak  1723 #SUP  1.00)
 &rst
  ixpk= 1723, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 219, 220, 221,
 igr2=1786,1787,1788,
 &end
#
#  11 LEU  QD2   114 HIS  HA      3.36             (#peak  2011 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2011, nxpk= 0, iat=  -1,1835, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   114 HIS  HE1     4.72             (#peak  2008 #SUP  0.99  #QF  0.95)
 &rst
  ixpk= 2008, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   114 HIS  HN      4.66             (#peak   763 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 763, nxpk= 0, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   114 HIS  QB      3.97             (#peak  2012)
 &rst
  ixpk= 2012, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 219, 220, 221,
 igr2=1837,1838,
 &end
#
#  11 LEU  QD2   117 ILE  HB      3.60             (#peak  2014 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   117 ILE  HN      4.71             (#peak  2007 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2007, nxpk= 0, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   117 ILE  QD1     3.12             (#peak  1824 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1824, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 219, 220, 221,
 igr2=1909,1910,1911,
 &end
#
#  11 LEU  QD2   118 TYR  HN      4.70             (#peak   793 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 793, nxpk= 0, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 219, 220, 221,
 &end
#
#  11 LEU  QD2   118 TYR  QD      3.95             (#peak  2009 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2009, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 219, 220, 221,
 igr2=1923,1932,
 &end
#
#  11 LEU  QD2   118 TYR  QE      3.54             (#peak  1856 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1856, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 219, 220, 221,
 igr2=1925,1930,
 &end
#
#  12 MET  HA     12 MET  QG      3.62             (#peak  1928)
 &rst
  ixpk= 1928, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 232, 233,
 &end
#
#  12 MET  HA     14 GLY  HN      5.39             (#peak    84 #SUP  0.82  #QF  0.34)
 &rst
  ixpk= 84, nxpk= 0, iat= 227, 257, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  12 MET  HA     72 LEU  QD1     3.78             (#peak  1931 #SUP  1.00)
 &rst
  ixpk= 1931, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1150,1151,1152,
 &end
#
#  12 MET  HA     72 LEU  QD2     5.13             (#peak  1930 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1930, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1154,1155,1156,
 &end
#
#  12 MET  HA    118 TYR  QE      4.54             (#peak  2241 #SUP  0.51  #QF  0.51)
 &rst
  ixpk= 2241, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1925,1930,
 &end
#
#  12 MET  HG2    72 LEU  QD1     4.86             (#peak  2175 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2175, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1150,1151,1152,
 &end
#
#  12 MET  HG3    72 LEU  QD1     4.86             (#peak   928 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 928, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1150,1151,1152,
 &end
#
#  12 MET  HN     12 MET  HG2     4.02             (#peak   834 #SUP  0.98  #QF  0.96)
 &rst
  ixpk= 834, nxpk= 0, iat= 225, 232, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  12 MET  HN     12 MET  HG3     4.02             (#peak   833 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 833, nxpk= 0, iat= 225, 233, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  12 MET  HN     12 MET  QB      3.59             (#peak   834 #SUP  0.98  #QF  0.96)
 &rst
  ixpk= 834, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 229, 230,
 &end
#
#  12 MET  HN     12 MET  QE      4.18             (#peak  1941 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1941, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 236, 237, 238,
 &end
#
#  12 MET  HN     12 MET  QG      3.43             (#peak   833)
 &rst
  ixpk= 833, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 232, 233,
 &end
#
#  12 MET  HN     13 GLU- HN      3.66             (#peak    70 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 70, nxpk= 0, iat= 225, 242, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  12 MET  HN     72 LEU  QD1     4.66             (#peak   863 #SUP  1.00)
 &rst
  ixpk= 863, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1150,1151,1152,
 &end
#
#  12 MET  HN     72 LEU  QD2     5.41             (#peak   837 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 837, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1154,1155,1156,
 &end
#
#  12 MET  QB     72 LEU  QD1     3.64             (#peak   929 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 929, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 229, 230,
 igr2=1150,1151,1152,
 &end
#
#  12 MET  QE     13 GLU- HN      4.98             (#peak  1942 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1942, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 236, 237, 238,
 &end
#
#  12 MET  QE     69 LYS+ HA      4.46             (#peak  1948 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1948, nxpk= 0, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 236, 237, 238,
 &end
#
#  12 MET  QE     69 LYS+ QD      4.09             (#peak   812 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 812, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 236, 237, 238,
 igr2=1098,1099,
 &end
#
#  12 MET  QE     69 LYS+ QE      3.69             (#peak  1951 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1951, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 236, 237, 238,
 igr2=1101,1102,
 &end
#
#  12 MET  QE     69 LYS+ QG      3.43             (#peak  1952 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1952, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 236, 237, 238,
 igr2=1095,1096,
 &end
#
#  12 MET  QE     73 PHE  HA      3.60             (#peak  1947 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 236, 237, 238,
 &end
#
#  12 MET  QE     73 PHE  HN      3.59             (#peak  1938 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1938, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 236, 237, 238,
 &end
#
#  12 MET  QE     73 PHE  QB      3.19             (#peak  1950 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1950, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 236, 237, 238,
 igr2=1164,1165,
 &end
#
#  12 MET  QE     73 PHE  QD      3.34             (#peak  1945 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1945, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 236, 237, 238,
 igr2=1168,1176,
 &end
#
#  12 MET  QE     74 TYR  HN      4.97             (#peak  1940 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1940, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 236, 237, 238,
 &end
#
#  12 MET  QG     13 GLU- HN      3.84             (#peak    77)
 &rst
  ixpk= 77, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 232, 233,
 &end
#
#  12 MET  QG     72 LEU  QD1     4.08             (#peak   928)
 &rst
  ixpk= 928, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 232, 233,
 igr2=1150,1151,1152,
 &end
#
#  12 MET  QG     72 LEU  QD2     5.34             (#peak  2174)
 &rst
  ixpk= 2174, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 232, 233,
 igr2=1154,1155,1156,
 &end
#
#  13 GLU- HA     13 GLU- HG2     4.03             (#peak   149 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 149, nxpk= 0, iat= 244, 249, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  13 GLU- HA     13 GLU- HG3     4.03             (#peak   148 #SUP  1.00)
 &rst
  ixpk= 148, nxpk= 0, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  13 GLU- HA     13 GLU- QG      3.37             (#peak   149)
 &rst
  ixpk= 149, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 249, 250,
 &end
#
#  13 GLU- HB2    14 GLY  HN      4.75             (#peak    86 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 86, nxpk= 0, iat= 246, 257, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  13 GLU- HB3    14 GLY  HN      4.75             (#peak    85 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 85, nxpk= 0, iat= 247, 257, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  13 GLU- HN     13 GLU- HB2     3.72             (#peak    78 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 78, nxpk= 0, iat= 242, 246, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  13 GLU- HN     13 GLU- HB3     3.72             (#peak   153 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 153, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  13 GLU- HN     13 GLU- HG2     4.56             (#peak   156 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 156, nxpk= 0, iat= 242, 249, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  13 GLU- HN     13 GLU- HG3     4.56             (#peak  1360 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1360, nxpk= 0, iat= 242, 250, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  13 GLU- HN     13 GLU- QB      3.17             (#peak    78)
 &rst
  ixpk= 78, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 246, 247,
 &end
#
#  13 GLU- HN     13 GLU- QG      3.97             (#peak  1360)
 &rst
  ixpk= 1360, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 249, 250,
 &end
#
#  13 GLU- HN     14 GLY  HN      3.98             (#peak    80 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 80, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  13 GLU- QB     14 GLY  HN      4.15             (#peak    85)
 &rst
  ixpk= 85, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 246, 247,
 &end
#
#  14 GLY  HN     15 GLY  HN      4.19             (#peak    87 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 87, nxpk= 0, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  14 GLY  HN     15 GLY  QA      5.50             (#peak    84 #SUP  0.82  #QF  0.34)
 &rst
  ixpk= 84, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 266, 267,
 &end
#
#  19 LEU  HA     19 LEU  HG      4.07             (#peak   166 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 166, nxpk= 0, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  19 LEU  HA     19 LEU  QD1     3.96             (#peak   175 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 175, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 316, 317, 318,
 &end
#
#  19 LEU  HA     19 LEU  QD2     3.96             (#peak   177 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 177, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 320, 321, 322,
 &end
#
#  19 LEU  HA     19 LEU  QQD     2.89             (#peak   175)
 &rst
  ixpk= 175, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 316, 317, 318, 320, 321, 322,
 &end
#
#  19 LEU  HA     20 TYR  HN      3.54             (#peak    99 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 99, nxpk= 0, iat= 309, 326, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  19 LEU  HB2    20 TYR  HN      4.91             (#peak   103 #SUP  1.00)
 &rst
  ixpk= 103, nxpk= 0, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  19 LEU  HB3    20 TYR  HN      4.91             (#peak   102 #SUP  1.00)
 &rst
  ixpk= 102, nxpk= 0, iat= 312, 326, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  19 LEU  HG     20 TYR  HN      5.47             (#peak   183 #SUP  0.97  #QF  0.95)
 &rst
  ixpk= 183, nxpk= 0, iat= 314, 326, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  19 LEU  HG     27 PRO  HD2     5.25             (#peak   185 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 185, nxpk= 0, iat= 314, 436, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  19 LEU  HN     19 LEU  HG      4.95             (#peak   183 #SUP  0.97  #QF  0.95)
 &rst
  ixpk= 183, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  19 LEU  HN     19 LEU  QB      3.43             (#peak    94)
 &rst
  ixpk= 94, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 311, 312,
 &end
#
#  19 LEU  HN     19 LEU  QQD     4.57             (#peak    96)
 &rst
  ixpk= 96, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 316, 317, 318, 320, 321, 322,
 &end
#
#  19 LEU  QB     19 LEU  QQD     2.70             (#peak   173)
 &rst
  ixpk= 173, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 311, 312,
 igr2= 316, 317, 318, 320, 321, 322,
 &end
#
#  19 LEU  QB     20 TYR  HN      4.08             (#peak   103)
 &rst
  ixpk= 103, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 311, 312,
 &end
#
#  19 LEU  QD1    27 PRO  HD2     5.00             (#peak   174 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 174, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 316, 317, 318,
 &end
#
#  19 LEU  QD2    27 PRO  HD2     5.00             (#peak   180 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 180, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 320, 321, 322,
 &end
#
#  19 LEU  QQD    20 TYR  HN      5.35             (#peak   176)
 &rst
  ixpk= 176, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 316, 317, 318, 320, 321, 322,
 &end
#
#  19 LEU  QQD    27 PRO  HD2     4.26             (#peak   174)
 &rst
  ixpk= 174, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 316, 317, 318, 320, 321, 322,
 &end
#
#  19 LEU  QQD    27 PRO  QB      5.28             (#peak  2174)
 &rst
  ixpk= 2174, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 316, 317, 318, 320, 321, 322,
 igr2= 442, 443,
 &end
#
#  19 LEU  QQD   118 TYR  QD      4.57             (#peak   178)
 &rst
  ixpk= 178, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 316, 317, 318, 320, 321, 322,
 igr2=1923,1932,
 &end
#
#  19 LEU  QQD   118 TYR  QE      4.66             (#peak   179)
 &rst
  ixpk= 179, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 316, 317, 318, 320, 321, 322,
 igr2=1925,1930,
 &end
#
#  20 TYR  HA     20 TYR  QD      3.88             (#peak   197 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 197, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 334, 343,
 &end
#
#  20 TYR  HN     20 TYR  HB2     4.10             (#peak   101 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 101, nxpk= 0, iat= 326, 330, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  20 TYR  HN     20 TYR  HB3     4.10             (#peak   100 #SUP  1.00)
 &rst
  ixpk= 100, nxpk= 0, iat= 326, 331, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  20 TYR  HN     20 TYR  QB      3.50             (#peak   101)
 &rst
  ixpk= 101, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 330, 331,
 &end
#
#  20 TYR  HN     20 TYR  QD      4.27             (#peak    97 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 97, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 334, 343,
 &end
#
#  21 PHE  HA     21 PHE  QD      4.39             (#peak   205 #SUP  1.00)
 &rst
  ixpk= 205, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 355, 363,
 &end
#
#  21 PHE  HN     22 GLN  HN      4.72             (#peak   104 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 104, nxpk= 0, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  22 GLN  HA     22 GLN  QG      3.59             (#peak  2318 #SUP  1.00)
 &rst
  ixpk= 2318, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 374, 375,
 &end
#
#  25 SER  HA     26 VAL  HN      3.25             (#peak   111 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 111, nxpk= 0, iat= 410, 419, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  25 SER  QB     26 VAL  HB      4.21             (#peak   214 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 214, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 412, 413,
 &end
#
#  25 SER  QB     26 VAL  HN      4.19             (#peak   112 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 112, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 412, 413,
 &end
#
#  25 SER  QB     26 VAL  QG1     5.50             (#peak   217 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 217, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 413,
 igr2= 425, 426, 427,
 &end
#
#  25 SER  QB     26 VAL  QG2     3.92             (#peak  1964 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1964, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 412, 413,
 igr2= 429, 430, 431,
 &end
#
#  26 VAL  HA     26 VAL  QG1     3.48             (#peak   216 #SUP  1.00)
 &rst
  ixpk= 216, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 425, 426, 427,
 &end
#
#  26 VAL  HA     26 VAL  QG2     3.30             (#peak  1963 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1963, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 429, 430, 431,
 &end
#
#  26 VAL  HA     27 PRO  HD2     2.95             (#peak  1975 #SUP  0.95  #QF  0.70)
 &rst
  ixpk= 1975, nxpk= 0, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  26 VAL  HA     27 PRO  HD3     3.11             (#peak  1974 #SUP  0.84  #QF  0.60)
 &rst
  ixpk= 1974, nxpk= 0, iat= 421, 437, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  26 VAL  HA     27 PRO  QG      4.28             (#peak   257 #SUP  0.99  #QF  0.30)
 &rst
  ixpk= 257, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 439, 440,
 &end
#
#  26 VAL  HB     27 PRO  HD2     4.19             (#peak   213 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 213, nxpk= 0, iat= 423, 436, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  26 VAL  HN     26 VAL  HB      3.96             (#peak   113 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 113, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  26 VAL  HN     26 VAL  QG1     4.12             (#peak   114 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 114, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 425, 426, 427,
 &end
#
#  26 VAL  QG1    27 PRO  HD2     3.53             (#peak  1968 #SUP  0.99  #QF  0.97)
 &rst
  ixpk= 1968, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 425, 426, 427,
 &end
#
#  26 VAL  QG1    27 PRO  HD3     4.10             (#peak  1967 #SUP  0.95  #QF  0.85)
 &rst
  ixpk= 1967, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 425, 426, 427,
 &end
#
#  26 VAL  QG2    27 PRO  HD2     3.81             (#peak  1965 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1965, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 429, 430, 431,
 &end
#
#  28 THR  HA     28 THR  QG2     4.06             (#peak   596 #SUP  1.00)
 &rst
  ixpk= 596, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 455, 456, 457,
 &end
#
#  28 THR  QG2    29 ASP- HN      3.91             (#peak  2064 #SUP  0.98  #QF  0.24)
 &rst
  ixpk= 2064, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 455, 456, 457,
 &end
#
#  31 ALA  QB     32 VAL  HN      4.54             (#peak   840 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 840, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 486, 487, 488,
 &end
#
#  32 VAL  HA     32 VAL  QG1     3.76             (#peak  1959 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1959, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 498, 499, 500,
 &end
#
#  32 VAL  HA     32 VAL  QG2     3.76             (#peak  1959 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1959, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 502, 503, 504,
 &end
#
#  32 VAL  HN     32 VAL  QQG     4.37             (#peak   839)
 &rst
  ixpk= 839, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 498, 499, 500, 502, 503, 504,
 &end
#
#  36 GLN  HA     36 GLN  QG      3.67             (#peak  2246 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 2246, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 554, 555,
 &end
#
#  36 GLN  HA     37 ILE  HN      3.54             (#peak   119 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 119, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  37 ILE  HA     37 ILE  QD1     4.39             (#peak   229 #SUP  1.00)
 &rst
  ixpk= 229, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 577, 578, 579,
 &end
#
#  37 ILE  HA     37 ILE  QG1     3.60             (#peak   236)
 &rst
  ixpk= 236, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 574, 575,
 &end
#
#  37 ILE  HA     37 ILE  QG2     3.21             (#peak   248 #SUP  1.00)
 &rst
  ixpk= 248, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 570, 571, 572,
 &end
#
#  37 ILE  HA     38 PRO  HD2     3.27             (#peak  1975 #SUP  0.95  #QF  0.70)
 &rst
  ixpk= 1975, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  37 ILE  HA     38 PRO  HD3     3.27             (#peak  2206 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 2206, nxpk= 0, iat= 566, 585, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  37 ILE  HB     37 ILE  QD1     3.35             (#peak   232 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 232, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 577, 578, 579,
 &end
#
#  37 ILE  HB     38 PRO  HD2     4.34             (#peak   224 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 224, nxpk= 0, iat= 568, 584, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  37 ILE  HB     38 PRO  HD3     4.34             (#peak   223 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 223, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  37 ILE  HB     38 PRO  QD      3.80             (#peak   224)
 &rst
  ixpk= 224, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 584, 585,
 &end
#
#  37 ILE  HN     37 ILE  HB      3.86             (#peak   118 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 118, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  37 ILE  HN     37 ILE  HG12    4.30             (#peak   116 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 116, nxpk= 0, iat= 564, 574, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  37 ILE  HN     37 ILE  HG13    4.30             (#peak   117 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 117, nxpk= 0, iat= 564, 575, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  37 ILE  HN     37 ILE  QG2     4.72             (#peak   251 #SUP  1.00)
 &rst
  ixpk= 251, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 570, 571, 572,
 &end
#
#  37 ILE  QD1    38 PRO  QD      4.35             (#peak   231)
 &rst
  ixpk= 231, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 577, 578, 579,
 igr2= 584, 585,
 &end
#
#  37 ILE  QG2    37 ILE  HG12    3.53             (#peak   254 #SUP  1.00)
 &rst
  ixpk= 254, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 570, 571, 572,
 &end
#
#  37 ILE  QG2    37 ILE  HG13    3.53             (#peak   253 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 253, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 570, 571, 572,
 &end
#
#  37 ILE  QG2    37 ILE  QG1     2.97             (#peak   254)
 &rst
  ixpk= 254, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 570, 571, 572,
 igr2= 574, 575,
 &end
#
#  37 ILE  QG2    38 PRO  HD2     3.87             (#peak   250 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 250, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 570, 571, 572,
 &end
#
#  37 ILE  QG2    38 PRO  HD3     3.87             (#peak   249 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 249, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 570, 571, 572,
 &end
#
#  37 ILE  QG2    38 PRO  QD      3.16             (#peak   250)
 &rst
  ixpk= 250, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 570, 571, 572,
 igr2= 584, 585,
 &end
#
#  39 ALA  HN     39 ALA  QB      3.77             (#peak   876 #SUP  1.00)
 &rst
  ixpk= 876, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 601, 602, 603,
 &end
#
#  41 GLU- HA     41 GLU- QG      3.84             (#peak  2323 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 2323, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 625, 626,
 &end
#
#  42 GLN  QB     43 GLU- HN      4.38             (#peak   874)
 &rst
  ixpk= 874, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 637, 638,
 &end
#
#  43 GLU- HA     43 GLU- QG      4.04             (#peak  2326 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 2326, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 657, 658,
 &end
#
#  43 GLU- HA     67 THR  QG2     4.67             (#peak   766 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 766, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1063,1064,1065,
 &end
#
#  43 GLU- HN     43 GLU- QB      3.69             (#peak   873)
 &rst
  ixpk= 873, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 654, 655,
 &end
#
#  43 GLU- QB     67 THR  QG2     4.01             (#peak   769)
 &rst
  ixpk= 769, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 654, 655,
 igr2=1063,1064,1065,
 &end
#
#  44 THR  HA     44 THR  QG2     2.83             (#peak  2065 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 2065, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 671, 672, 673,
 &end
#
#  44 THR  HA     45 LEU  HN      2.85             (#peak   129 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 129, nxpk= 0, iat= 667, 679, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#  44 THR  HB     45 LEU  HN      3.81             (#peak   128 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 128, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  44 THR  HN     44 THR  HB      3.95             (#peak   905 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 905, nxpk= 0, iat= 665, 669, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  44 THR  QG2    45 LEU  HN      3.54             (#peak   124 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 124, nxpk= 0, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 671, 672, 673,
 &end
#
#  45 LEU  HA     45 LEU  QD2     3.47             (#peak  2082 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2082, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 692, 693, 694,
 &end
#
#  45 LEU  HA     46 VAL  HN      3.30             (#peak   885 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 885, nxpk= 0, iat= 681, 698, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  45 LEU  HA     66 TYR  HN      4.68             (#peak   327 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 327, nxpk= 0, iat= 681,1036, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  45 LEU  HA     67 THR  QG2     4.91             (#peak   765 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 765, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1063,1064,1065,
 &end
#
#  45 LEU  HB2    45 LEU  QD1     3.25             (#peak  2180 #SUP  1.00)
 &rst
  ixpk= 2180, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 688, 689, 690,
 &end
#
#  45 LEU  HB2    46 VAL  HN      4.45             (#peak   135 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 135, nxpk= 0, iat= 683, 698, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  45 LEU  HB2    65 THR  HB      4.09             (#peak   733 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 733, nxpk= 0, iat= 683,1026, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  45 LEU  HB3    45 LEU  QD1     3.22             (#peak  2179 #SUP  1.00)
 &rst
  ixpk= 2179, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 688, 689, 690,
 &end
#
#  45 LEU  HB3    45 LEU  QD2     2.71             (#peak  2085 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 2085, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2= 692, 693, 694,
 &end
#
#  45 LEU  HB3    46 VAL  HN      4.03             (#peak   134 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 134, nxpk= 0, iat= 684, 698, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  45 LEU  HB3    65 THR  HB      3.79             (#peak   734 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 734, nxpk= 0, iat= 684,1026, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  45 LEU  HN     45 LEU  HB2     3.38             (#peak   127 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 127, nxpk= 0, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  45 LEU  HN     45 LEU  HB3     3.76             (#peak   125 #SUP  1.00)
 &rst
  ixpk= 125, nxpk= 0, iat= 679, 684, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  45 LEU  HN     45 LEU  HG      3.35             (#peak   126 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 126, nxpk= 0, iat= 679, 686, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  45 LEU  HN     45 LEU  QD1     3.78             (#peak   123 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 123, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 688, 689, 690,
 &end
#
#  45 LEU  HN     45 LEU  QD2     3.93             (#peak  2079 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2079, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 692, 693, 694,
 &end
#
#  45 LEU  QD1    65 THR  HB      3.76             (#peak   736 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 736, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 688, 689, 690,
 &end
#
#  45 LEU  QD1    65 THR  QG2     3.03             (#peak   703 #SUP  0.75  #QF  0.33)
 &rst
  ixpk= 703, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 688, 689, 690,
 igr2=1028,1029,1030,
 &end
#
#  45 LEU  QD2    46 VAL  HN      3.89             (#peak   131 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 131, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 692, 693, 694,
 &end
#
#  45 LEU  QD2    65 THR  HB      4.06             (#peak   737 #SUP  1.00)
 &rst
  ixpk= 737, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 692, 693, 694,
 &end
#
#  45 LEU  QD2    66 TYR  HA      4.46             (#peak  2081 #SUP  0.99  #QF  0.83)
 &rst
  ixpk= 2081, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 692, 693, 694,
 &end
#
#  45 LEU  QD2    66 TYR  HN      4.18             (#peak  2078 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 2078, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 692, 693, 694,
 &end
#
#  45 LEU  QD2    67 THR  HA      4.98             (#peak  2080 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 2080, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 692, 693, 694,
 &end
#
#  45 LEU  QD2    67 THR  HN      4.40             (#peak  2077 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2077, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 692, 693, 694,
 &end
#
#  45 LEU  QD2    67 THR  QG2     3.85             (#peak   770 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 770, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 692, 693, 694,
 igr2=1063,1064,1065,
 &end
#
#  46 VAL  HA     46 VAL  QG1     3.73             (#peak   303 #SUP  0.94  #QF  0.50)
 &rst
  ixpk= 303, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 704, 705, 706,
 &end
#
#  46 VAL  HA     46 VAL  QG2     3.97             (#peak  1962 #SUP  0.78  #QF  0.28)
 &rst
  ixpk= 1962, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 708, 709, 710,
 &end
#
#  46 VAL  HA     47 ARG+ HN      3.53             (#peak   139 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 139, nxpk= 0, iat= 700, 714, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  46 VAL  HB     47 ARG+ HN      4.19             (#peak   285 #SUP  1.00)
 &rst
  ixpk= 285, nxpk= 0, iat= 702, 714, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  46 VAL  HB    125 THR  HB      3.98             (#peak   705 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 705, nxpk= 0, iat= 702,2026, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  46 VAL  HB    125 THR  QG2     3.94             (#peak  2332 #SUP  0.74  #QF  0.48)
 &rst
  ixpk= 2332, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=2028,2029,2030,
 &end
#
#  46 VAL  HN     46 VAL  HB      4.20             (#peak   136 #SUP  1.00)
 &rst
  ixpk= 136, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  46 VAL  HN     46 VAL  QG1     3.83             (#peak   301 #SUP  1.00)
 &rst
  ixpk= 301, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 704, 705, 706,
 &end
#
#  46 VAL  HN     46 VAL  QG2     3.33             (#peak   287 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 287, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 708, 709, 710,
 &end
#
#  46 VAL  HN     47 ARG+ HN      4.81             (#peak   883 #SUP  1.00)
 &rst
  ixpk= 883, nxpk= 0, iat= 698, 714, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  46 VAL  HN     65 THR  HB      4.51             (#peak   732 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 732, nxpk= 0, iat= 698,1026, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  46 VAL  HN     65 THR  QG2     4.75             (#peak   725 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 725, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1028,1029,1030,
 &end
#
#  46 VAL  HN     66 TYR  HN      3.77             (#peak   323 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 323, nxpk= 0, iat= 698,1036, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  46 VAL  HN     67 THR  HA      4.86             (#peak   137 #SUP  0.53  #QF  0.53)
 &rst
  ixpk= 137, nxpk= 0, iat= 698,1059, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  46 VAL  QG1    47 ARG+ HA      5.50             (#peak   325 #SUP  0.29  #QF  0.29)
 &rst
  ixpk= 325, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG1    47 ARG+ HN      3.88             (#peak   304 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 304, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG1    48 PRO  HD3     4.62             (#peak   306 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 306, nxpk= 0, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG1    68 MET  HG2     5.17             (#peak   308 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 308, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG1    68 MET  HG3     5.17             (#peak   307 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 307, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG1    68 MET  HN      4.84             (#peak   302 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 302, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG1    68 MET  QB      5.14             (#peak   778 #SUP  0.90  #QF  0.58)
 &rst
  ixpk= 778, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 704, 705, 706,
 igr2=1075,1076,
 &end
#
#  46 VAL  QG1    68 MET  QE      4.22             (#peak   310 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 310, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 704, 705, 706,
 igr2=1082,1083,1084,
 &end
#
#  46 VAL  QG1    68 MET  QG      4.31             (#peak   308)
 &rst
  ixpk= 308, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 704, 705, 706,
 igr2=1078,1079,
 &end
#
#  46 VAL  QG1   125 THR  HB      4.45             (#peak   305 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 305, nxpk= 0, iat=  -1,2026, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 704, 705, 706,
 &end
#
#  46 VAL  QG2    47 ARG+ HN      4.33             (#peak   290 #SUP  1.00)
 &rst
  ixpk= 290, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    48 PRO  HB3     3.45             (#peak   300 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 300, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    48 PRO  HD2     3.85             (#peak  1622 #SUP  0.96  #QF  0.35)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    48 PRO  HD3     4.13             (#peak   296 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 296, nxpk= 0, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    49 LYS+ HN      5.50             (#peak   292 #SUP  0.81  #QF  0.51)
 &rst
  ixpk= 292, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    66 TYR  HN      3.90             (#peak   333 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 333, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    66 TYR  QD      5.32             (#peak   293 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 293, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 708, 709, 710,
 igr2=1044,1053,
 &end
#
#  46 VAL  QG2    67 THR  HN      4.94             (#peak   289 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 289, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    68 MET  HA      4.78             (#peak   294 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 294, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    68 MET  HN      4.54             (#peak   288 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 288, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2    68 MET  QG      4.38             (#peak   298)
 &rst
  ixpk= 298, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 708, 709, 710,
 igr2=1078,1079,
 &end
#
#  46 VAL  QG2    71 VAL  HN      5.50             (#peak   292 #SUP  0.81  #QF  0.51)
 &rst
  ixpk= 292, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2   125 THR  HB      3.74             (#peak   707 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 707, nxpk= 0, iat=  -1,2026, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 708, 709, 710,
 &end
#
#  46 VAL  QG2   125 THR  QG2     3.17             (#peak   703 #SUP  0.75  #QF  0.33)
 &rst
  ixpk= 703, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 708, 709, 710,
 igr2=2028,2029,2030,
 &end
#
#  47 ARG+ HA     47 ARG+ HD2     5.09             (#peak   318 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 318, nxpk= 0, iat= 716, 724, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  47 ARG+ HA     47 ARG+ HD3     5.09             (#peak   319 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 319, nxpk= 0, iat= 716, 725, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  47 ARG+ HA     47 ARG+ QD      4.39             (#peak   318)
 &rst
  ixpk= 318, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 724, 725,
 &end
#
#  47 ARG+ HA     48 PRO  HD2     3.61             (#peak   330 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 330, nxpk= 0, iat= 716, 739, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  47 ARG+ HA     48 PRO  HD3     3.65             (#peak   328 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 328, nxpk= 0, iat= 716, 740, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  47 ARG+ HA     65 THR  QG2     3.88             (#peak   723 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 723, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1028,1029,1030,
 &end
#
#  47 ARG+ HA     66 TYR  HN      4.94             (#peak   325 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 325, nxpk= 0, iat= 716,1036, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  47 ARG+ HN     47 ARG+ QB      3.53             (#peak   884)
 &rst
  ixpk= 884, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 718, 719,
 &end
#
#  47 ARG+ HN     47 ARG+ QG      4.50             (#peak   315)
 &rst
  ixpk= 315, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 721, 722,
 &end
#
#  47 ARG+ HN     65 THR  QG2     4.52             (#peak   726 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 726, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1028,1029,1030,
 &end
#
#  47 ARG+ QD     65 THR  QG2     4.21             (#peak   728)
 &rst
  ixpk= 728, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 724, 725,
 igr2=1028,1029,1030,
 &end
#
#  48 PRO  HA     49 LYS+ HN      3.17             (#peak   852 #SUP  0.93  #QF  0.79)
 &rst
  ixpk= 852, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  48 PRO  HA     52 LEU  QD2     4.47             (#peak  2249 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2249, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 820, 821, 822,
 &end
#
#  48 PRO  HA    125 THR  QG2     3.62             (#peak   701 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 701, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=2028,2029,2030,
 &end
#
#  48 PRO  HB2    52 LEU  QD2     3.67             (#peak   354 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 354, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 820, 821, 822,
 &end
#
#  48 PRO  HB2    56 LEU  QD1     4.96             (#peak   352 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 352, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 895, 896, 897,
 &end
#
#  48 PRO  HB3    49 LYS+ HN      4.02             (#peak   850 #SUP  1.00)
 &rst
  ixpk= 850, nxpk= 0, iat= 746, 752, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  48 PRO  HB3    52 LEU  QD2     3.09             (#peak  2302 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 2302, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 820, 821, 822,
 &end
#
#  48 PRO  HB3    56 LEU  QD1     5.50             (#peak   353 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 353, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 895, 896, 897,
 &end
#
#  48 PRO  HB3    71 VAL  QG2     3.98             (#peak   863 #SUP  0.66  #QF  0.53)
 &rst
  ixpk= 863, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1135,1136,1137,
 &end
#
#  48 PRO  HB3   125 THR  QG2     3.43             (#peak  2331 #SUP  1.00  #QF  0.77)
 &rst
  ixpk= 2331, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=2028,2029,2030,
 &end
#
#  48 PRO  HD2    65 THR  QG2     4.24             (#peak   336 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 336, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1028,1029,1030,
 &end
#
#  48 PRO  HD2    66 TYR  QD      4.34             (#peak   329 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 329, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1044,1053,
 &end
#
#  48 PRO  HD3    65 THR  QG2     5.23             (#peak   332 #SUP  0.96  #QF  0.77)
 &rst
  ixpk= 332, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2=1028,1029,1030,
 &end
#
#  48 PRO  HD3    66 TYR  HN      4.53             (#peak   328 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 328, nxpk= 0, iat= 740,1036, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  48 PRO  HD3    66 TYR  QD      4.66             (#peak   327 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 327, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=1044,1053,
 &end
#
#  48 PRO  HD3   125 THR  QG2     5.45             (#peak   332 #SUP  0.96  #QF  0.77)
 &rst
  ixpk= 332, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=2028,2029,2030,
 &end
#
#  48 PRO  HG2    52 LEU  QD2     4.48             (#peak   340 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 340, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 820, 821, 822,
 &end
#
#  48 PRO  HG2    53 LEU  QD1     4.76             (#peak   341 #SUP  0.92  #QF  0.82)
 &rst
  ixpk= 341, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 835, 836, 837,
 &end
#
#  48 PRO  HG2    56 LEU  QD1     4.28             (#peak   539 #SUP  1.00)
 &rst
  ixpk= 539, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 895, 896, 897,
 &end
#
#  48 PRO  HG2    66 TYR  QD      4.71             (#peak   349 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 349, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1044,1053,
 &end
#
#  48 PRO  HG2    66 TYR  QE      5.22             (#peak   350 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 350, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1046,1051,
 &end
#
#  48 PRO  HG2    71 VAL  QG2     4.97             (#peak   340 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 340, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1135,1136,1137,
 &end
#
#  48 PRO  HG2   125 THR  QG2     5.28             (#peak   341 #SUP  0.92  #QF  0.82)
 &rst
  ixpk= 341, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=2028,2029,2030,
 &end
#
#  48 PRO  HG3    52 LEU  QD2     4.07             (#peak   343 #SUP  0.94  #QF  0.77)
 &rst
  ixpk= 343, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 820, 821, 822,
 &end
#
#  48 PRO  HG3    56 LEU  QD1     4.10             (#peak   536 #SUP  1.00)
 &rst
  ixpk= 536, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 895, 896, 897,
 &end
#
#  48 PRO  HG3    66 TYR  QD      4.79             (#peak   351 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 351, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1044,1053,
 &end
#
#  48 PRO  HG3    71 VAL  QG2     3.88             (#peak   864 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 864, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1135,1136,1137,
 &end
#
#  48 PRO  HG3   125 THR  QG2     4.15             (#peak   344 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 344, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=2028,2029,2030,
 &end
#
#  49 LYS+ HA     50 PRO  HD2     3.72             (#peak  2183 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 2183, nxpk= 0, iat= 754, 775, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  49 LYS+ HA     50 PRO  HD3     3.72             (#peak  2184 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 2184, nxpk= 0, iat= 754, 776, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  49 LYS+ HG2    49 LYS+ QE      4.07             (#peak  2061 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2061, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 765, 766,
 &end
#
#  49 LYS+ HG3    49 LYS+ QE      4.07             (#peak  2060 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2060, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 765, 766,
 &end
#
#  49 LYS+ HN     49 LYS+ HB2     3.86             (#peak   849 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 849, nxpk= 0, iat= 752, 756, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  49 LYS+ HN     49 LYS+ HB3     3.86             (#peak   851 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 851, nxpk= 0, iat= 752, 757, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  49 LYS+ HN     49 LYS+ HG2     4.17             (#peak  2056 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2056, nxpk= 0, iat= 752, 759, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  49 LYS+ HN     49 LYS+ HG3     4.17             (#peak   848 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 848, nxpk= 0, iat= 752, 760, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  49 LYS+ HN     49 LYS+ QB      3.27             (#peak   849)
 &rst
  ixpk= 849, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 756, 757,
 &end
#
#  49 LYS+ HN     49 LYS+ QE      4.55             (#peak  2187 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2187, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 765, 766,
 &end
#
#  49 LYS+ HN     49 LYS+ QG      3.53             (#peak   848)
 &rst
  ixpk= 848, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 759, 760,
 &end
#
#  49 LYS+ HN     52 LEU  QB      4.79             (#peak   847)
 &rst
  ixpk= 847, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 811, 812,
 &end
#
#  49 LYS+ HN     52 LEU  QD2     4.04             (#peak  2211 #SUP  1.00)
 &rst
  ixpk= 2211, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 820, 821, 822,
 &end
#
#  49 LYS+ HN    125 THR  QG2     3.97             (#peak   698 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 698, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=2028,2029,2030,
 &end
#
#  49 LYS+ QB     50 PRO  QD      3.52             (#peak  2185)
 &rst
  ixpk= 2185, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 756, 757,
 igr2= 775, 776,
 &end
#
#  49 LYS+ QB     52 LEU  HN      4.21             (#peak   868)
 &rst
  ixpk= 868, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 756, 757,
 &end
#
#  49 LYS+ QB    103 LEU  QQD     4.33             (#peak  1555)
 &rst
  ixpk= 1555, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 756, 757,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  49 LYS+ QE    103 LEU  QQD     3.96             (#peak  2188)
 &rst
  ixpk= 2188, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 765, 766,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  49 LYS+ QE    124 MET  QE      4.75             (#peak   693 #SUP  0.47  #QF  0.47)
 &rst
  ixpk= 693, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 765, 766,
 igr2=2016,2017,2018,
 &end
#
#  50 PRO  HA     53 LEU  HB2     4.16             (#peak  2115 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2115, nxpk= 0, iat= 784, 830, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  50 PRO  HA     53 LEU  HB3     4.16             (#peak  2113 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2113, nxpk= 0, iat= 784, 831, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  50 PRO  HA     53 LEU  HN      4.29             (#peak   151 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 151, nxpk= 0, iat= 784, 826, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  50 PRO  HA     53 LEU  QB      3.49             (#peak  2113)
 &rst
  ixpk= 2113, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 830, 831,
 &end
#
#  50 PRO  HA     53 LEU  QD1     5.36             (#peak  2114 #SUP  1.00)
 &rst
  ixpk= 2114, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 835, 836, 837,
 &end
#
#  50 PRO  HA     53 LEU  QD2     4.49             (#peak  2189 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2189, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 839, 840, 841,
 &end
#
#  51 LEU  HA     51 LEU  HG      3.93             (#peak  2229 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 2229, nxpk= 0, iat= 790, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  51 LEU  HA     51 LEU  QD1     3.93             (#peak   365 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 365, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 797, 798, 799,
 &end
#
#  51 LEU  HA     51 LEU  QD2     3.93             (#peak  2198 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2198, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 801, 802, 803,
 &end
#
#  51 LEU  HA     51 LEU  QQD     2.92             (#peak   365)
 &rst
  ixpk= 365, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  HA     54 LYS+ HB2     4.05             (#peak  2194 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 2194, nxpk= 0, iat= 790, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  51 LEU  HA     54 LYS+ HB3     4.05             (#peak  2193 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 2193, nxpk= 0, iat= 790, 850, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  51 LEU  HA     54 LYS+ HN      3.88             (#peak   163 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 163, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  51 LEU  HA     54 LYS+ QD      4.77             (#peak   443 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 443, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 855, 856,
 &end
#
#  51 LEU  HA     54 LYS+ QE      4.21             (#peak  2317)
 &rst
  ixpk= 2317, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 858, 859,
 &end
#
#  51 LEU  HB2    51 LEU  QD1     3.53             (#peak   362 #SUP  1.00)
 &rst
  ixpk= 362, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 797, 798, 799,
 &end
#
#  51 LEU  HB2    51 LEU  QD2     3.53             (#peak   363 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 363, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 801, 802, 803,
 &end
#
#  51 LEU  HB2    52 LEU  HN      4.32             (#peak   869 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 869, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  51 LEU  HB3    51 LEU  QD1     3.53             (#peak   359 #SUP  1.00)
 &rst
  ixpk= 359, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 797, 798, 799,
 &end
#
#  51 LEU  HB3    51 LEU  QD2     3.53             (#peak   360 #SUP  1.00)
 &rst
  ixpk= 360, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 801, 802, 803,
 &end
#
#  51 LEU  HB3    52 LEU  HN      4.32             (#peak  2191 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 2191, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  51 LEU  HN     51 LEU  QQD     4.91             (#peak   148)
 &rst
  ixpk= 148, nxpk= 0, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  HN     52 LEU  HN      4.39             (#peak   864 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 864, nxpk= 0, iat= 788, 807, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  51 LEU  QB     51 LEU  QQD     2.73             (#peak   360)
 &rst
  ixpk= 360, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 792, 793,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  QB    103 LEU  QQD     3.13             (#peak  1557)
 &rst
  ixpk= 1557, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 792, 793,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  51 LEU  QQD    52 LEU  HN      4.58             (#peak   366)
 &rst
  ixpk= 366, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  QQD    54 LYS+ HN      5.44             (#peak   173)
 &rst
  ixpk= 173, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  QQD    54 LYS+ QD      4.62             (#peak   449)
 &rst
  ixpk= 449, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 855, 856,
 &end
#
#  51 LEU  QQD    54 LYS+ QE      3.79             (#peak  2097)
 &rst
  ixpk= 2097, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 858, 859,
 &end
#
#  51 LEU  QQD   102 ASP- HA      4.97             (#peak  2088)
 &rst
  ixpk= 2088, nxpk= 0, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  QQD   102 ASP- HN      4.96             (#peak   662)
 &rst
  ixpk= 662, nxpk= 0, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  QQD   102 ASP- QB      3.22             (#peak  2092)
 &rst
  ixpk= 2092, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1654,1655,
 &end
#
#  51 LEU  QQD   103 LEU  HA      3.87             (#peak  1571)
 &rst
  ixpk= 1571, nxpk= 0, iat=  -1,1664, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  51 LEU  QQD   103 LEU  HN      4.08             (#peak  2087)
 &rst
  ixpk= 2087, nxpk= 0, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  52 LEU  HA     52 LEU  QD1     3.03             (#peak  2072 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 2072, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 816, 817, 818,
 &end
#
#  52 LEU  HA     52 LEU  QD2     4.23             (#peak  2209 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2209, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 820, 821, 822,
 &end
#
#  52 LEU  HA     55 LEU  HB2     4.28             (#peak   455 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 455, nxpk= 0, iat= 809, 871, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  52 LEU  HA     55 LEU  HB3     4.28             (#peak   381 #SUP  1.00)
 &rst
  ixpk= 381, nxpk= 0, iat= 809, 872, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  52 LEU  HA     55 LEU  HN      4.08             (#peak   176 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 176, nxpk= 0, iat= 809, 867, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  52 LEU  HA     55 LEU  QQD     4.47             (#peak   471)
 &rst
  ixpk= 471, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 876, 877, 878, 880, 881, 882,
 &end
#
#  52 LEU  HA    103 LEU  QD1     4.15             (#peak  2225 #SUP  1.00  #QF  0.96)
 &rst
  ixpk= 2225, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1671,1672,1673,
 &end
#
#  52 LEU  HA    103 LEU  QD2     4.15             (#peak  1549 #SUP  0.97  #QF  0.54)
 &rst
  ixpk= 1549, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1675,1676,1677,
 &end
#
#  52 LEU  HA    103 LEU  QQD     3.23             (#peak  1549)
 &rst
  ixpk= 1549, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  52 LEU  HB2    52 LEU  QD1     3.87             (#peak  2071 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 2071, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 816, 817, 818,
 &end
#
#  52 LEU  HB2    53 LEU  HN      3.84             (#peak   159 #SUP  0.61  #QF  0.61)
 &rst
  ixpk= 159, nxpk= 0, iat= 811, 826, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  52 LEU  HB3    52 LEU  QD1     3.87             (#peak  2219 #SUP  0.98  #QF  0.76)
 &rst
  ixpk= 2219, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 816, 817, 818,
 &end
#
#  52 LEU  HB3    53 LEU  HN      3.84             (#peak   155 #SUP  0.99  #QF  0.43)
 &rst
  ixpk= 155, nxpk= 0, iat= 812, 826, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  52 LEU  HG     56 LEU  QD1     3.77             (#peak   535 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 535, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 895, 896, 897,
 &end
#
#  52 LEU  HG     56 LEU  QD2     3.92             (#peak   561 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 561, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 899, 900, 901,
 &end
#
#  52 LEU  HN     52 LEU  HB2     3.57             (#peak   867 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 867, nxpk= 0, iat= 807, 811, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  52 LEU  HN     52 LEU  HB3     3.57             (#peak   870 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 870, nxpk= 0, iat= 807, 812, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  52 LEU  HN     52 LEU  QB      3.11             (#peak   870)
 &rst
  ixpk= 870, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 811, 812,
 &end
#
#  52 LEU  HN     52 LEU  QD1     4.20             (#peak  2073 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2073, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 816, 817, 818,
 &end
#
#  52 LEU  HN     52 LEU  QD2     4.33             (#peak  2210 #SUP  1.00)
 &rst
  ixpk= 2210, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 820, 821, 822,
 &end
#
#  52 LEU  HN     53 LEU  HN      3.39             (#peak   150 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 150, nxpk= 0, iat= 807, 826, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  52 LEU  HN     54 LYS+ HN      4.53             (#peak   162 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 162, nxpk= 0, iat= 807, 845, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  52 LEU  HN    103 LEU  QQD     3.90             (#peak  1548)
 &rst
  ixpk= 1548, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  52 LEU  QB     52 LEU  QD1     3.24             (#peak  2071)
 &rst
  ixpk= 2071, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 811, 812,
 igr2= 816, 817, 818,
 &end
#
#  52 LEU  QB     52 LEU  QD2     3.34             (#peak  2226)
 &rst
  ixpk= 2226, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 811, 812,
 igr2= 820, 821, 822,
 &end
#
#  52 LEU  QB    103 LEU  QQD     3.64             (#peak  1554)
 &rst
  ixpk= 1554, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 811, 812,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  52 LEU  QD1    53 LEU  HN      4.84             (#peak   157 #SUP  0.98  #QF  0.78)
 &rst
  ixpk= 157, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 816, 817, 818,
 &end
#
#  52 LEU  QD1    54 LYS+ HN      5.50             (#peak   173 #SUP  0.96  #QF  0.57)
 &rst
  ixpk= 173, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 816, 817, 818,
 &end
#
#  52 LEU  QD1    55 LEU  HN      4.34             (#peak  2074 #SUP  1.00)
 &rst
  ixpk= 2074, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 816, 817, 818,
 &end
#
#  52 LEU  QD1    55 LEU  QD1     4.26             (#peak  2067 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 2067, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 816, 817, 818,
 igr2= 876, 877, 878,
 &end
#
#  52 LEU  QD1    55 LEU  QD2     4.26             (#peak  2068 #SUP  1.00  #QF  0.76)
 &rst
  ixpk= 2068, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 816, 817, 818,
 igr2= 880, 881, 882,
 &end
#
#  52 LEU  QD1    55 LEU  QQD     3.63             (#peak  2068)
 &rst
  ixpk= 2068, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 816, 817, 818,
 igr2= 876, 877, 878, 880, 881, 882,
 &end
#
#  52 LEU  QD1    56 LEU  HG      3.60             (#peak  2070 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2070, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 816, 817, 818,
 &end
#
#  52 LEU  QD1    56 LEU  HN      4.14             (#peak   202 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 202, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 816, 817, 818,
 &end
#
#  52 LEU  QD1    56 LEU  QD1     4.25             (#peak  2068 #SUP  1.00  #QF  0.76)
 &rst
  ixpk= 2068, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 816, 817, 818,
 igr2= 895, 896, 897,
 &end
#
#  52 LEU  QD1    56 LEU  QD2     3.05             (#peak   547 #SUP  0.89  #QF  0.79)
 &rst
  ixpk= 547, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 816, 817, 818,
 igr2= 899, 900, 901,
 &end
#
#  52 LEU  QD1   103 LEU  HG      4.22             (#peak   241 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 241, nxpk= 0, iat=  -1,1669, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 816, 817, 818,
 &end
#
#  52 LEU  QD2    53 LEU  HN      5.18             (#peak   157 #SUP  0.98  #QF  0.78)
 &rst
  ixpk= 157, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 820, 821, 822,
 &end
#
#  52 LEU  QD2    56 LEU  QD1     3.91             (#peak  2306 #SUP  0.96  #QF  0.95)
 &rst
  ixpk= 2306, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 820, 821, 822,
 igr2= 895, 896, 897,
 &end
#
#  52 LEU  QD2   124 MET  HB2     3.89             (#peak  2303 #SUP  0.70  #QF  0.22)
 &rst
  ixpk= 2303, nxpk= 0, iat=  -1,2009, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 820, 821, 822,
 &end
#
#  52 LEU  QD2   124 MET  HB3     3.89             (#peak  2304 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 2304, nxpk= 0, iat=  -1,2010, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 820, 821, 822,
 &end
#
#  52 LEU  QD2   124 MET  QG      3.91             (#peak   681 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 681, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 820, 821, 822,
 igr2=2012,2013,
 &end
#
#  52 LEU  QD2   125 THR  HN      5.46             (#peak   296 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 296, nxpk= 0, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 820, 821, 822,
 &end
#
#  53 LEU  HA     53 LEU  HG      4.10             (#peak   371 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 371, nxpk= 0, iat= 828, 833, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  53 LEU  HA     53 LEU  QD1     3.01             (#peak   395 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 395, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 835, 836, 837,
 &end
#
#  53 LEU  HA     53 LEU  QD2     4.06             (#peak   405 #SUP  1.00)
 &rst
  ixpk= 405, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 839, 840, 841,
 &end
#
#  53 LEU  HA     56 LEU  HG      4.17             (#peak   370 #SUP  0.99  #QF  0.89)
 &rst
  ixpk= 370, nxpk= 0, iat= 828, 893, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  53 LEU  HA     56 LEU  HN      4.02             (#peak   193 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 193, nxpk= 0, iat= 828, 886, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  53 LEU  HA     56 LEU  QB      4.10             (#peak   519)
 &rst
  ixpk= 519, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 890, 891,
 &end
#
#  53 LEU  HA     56 LEU  QD1     3.81             (#peak   529 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 529, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 895, 896, 897,
 &end
#
#  53 LEU  HA     56 LEU  QD2     4.84             (#peak   558 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 558, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 899, 900, 901,
 &end
#
#  53 LEU  HA     57 LYS+ HN      4.69             (#peak   367 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 367, nxpk= 0, iat= 828, 905, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  53 LEU  HB2    53 LEU  QD1     3.27             (#peak   399 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 399, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836, 837,
 &end
#
#  53 LEU  HB2    53 LEU  QD2     3.68             (#peak   384 #SUP  1.00)
 &rst
  ixpk= 384, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 839, 840, 841,
 &end
#
#  53 LEU  HB2    54 LYS+ HN      4.01             (#peak   170 #SUP  1.00)
 &rst
  ixpk= 170, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  53 LEU  HB3    53 LEU  QD1     3.27             (#peak   401 #SUP  1.00)
 &rst
  ixpk= 401, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836, 837,
 &end
#
#  53 LEU  HB3    53 LEU  QD2     3.68             (#peak   408 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 408, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 839, 840, 841,
 &end
#
#  53 LEU  HB3    54 LYS+ HN      4.01             (#peak   166 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 166, nxpk= 0, iat= 831, 845, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  53 LEU  HG     54 LYS+ HN      3.99             (#peak   168 #SUP  0.77  #QF  0.64)
 &rst
  ixpk= 168, nxpk= 0, iat= 833, 845, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  53 LEU  HG     57 LYS+ QE      4.58             (#peak   414 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 414, nxpk= 0, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 918, 919,
 &end
#
#  53 LEU  HN     53 LEU  HB2     3.66             (#peak   375 #SUP  1.00)
 &rst
  ixpk= 375, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  53 LEU  HN     53 LEU  HB3     3.66             (#peak   153 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 153, nxpk= 0, iat= 826, 831, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  53 LEU  HN     53 LEU  HG      4.40             (#peak   411 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 411, nxpk= 0, iat= 826, 833, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  53 LEU  HN     53 LEU  QB      3.15             (#peak   153)
 &rst
  ixpk= 153, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 830, 831,
 &end
#
#  53 LEU  HN     53 LEU  QD1     4.30             (#peak   156 #SUP  1.00)
 &rst
  ixpk= 156, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 835, 836, 837,
 &end
#
#  53 LEU  HN     53 LEU  QD2     4.29             (#peak   158 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 158, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 839, 840, 841,
 &end
#
#  53 LEU  HN     54 LYS+ HN      3.53             (#peak   160 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 160, nxpk= 0, iat= 826, 845, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  53 LEU  HN    103 LEU  QQD     4.74             (#peak  2025)
 &rst
  ixpk= 2025, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  53 LEU  QB     53 LEU  QD1     2.85             (#peak   399)
 &rst
  ixpk= 399, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 830, 831,
 igr2= 835, 836, 837,
 &end
#
#  53 LEU  QB     53 LEU  QD2     2.95             (#peak   408)
 &rst
  ixpk= 408, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 830, 831,
 igr2= 839, 840, 841,
 &end
#
#  53 LEU  QB     54 LYS+ HN      3.31             (#peak   166)
 &rst
  ixpk= 166, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 830, 831,
 &end
#
#  53 LEU  QD1    54 LYS+ HN      4.56             (#peak   391 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 391, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 835, 836, 837,
 &end
#
#  53 LEU  QD1    56 LEU  HN      4.43             (#peak   200 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 200, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 835, 836, 837,
 &end
#
#  53 LEU  QD1    56 LEU  QD1     3.49             (#peak   398 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 398, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 835, 836, 837,
 igr2= 895, 896, 897,
 &end
#
#  53 LEU  QD1    57 LYS+ HN      4.28             (#peak   389 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 389, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 835, 836, 837,
 &end
#
#  53 LEU  QD1    57 LYS+ QD      3.63             (#peak   400 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 400, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 835, 836, 837,
 igr2= 915, 916,
 &end
#
#  53 LEU  QD1    57 LYS+ QE      3.51             (#peak   593 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 593, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 835, 836, 837,
 igr2= 918, 919,
 &end
#
#  53 LEU  QD1    57 LYS+ QG      3.58             (#peak   400)
 &rst
  ixpk= 400, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 835, 836, 837,
 igr2= 912, 913,
 &end
#
#  53 LEU  QD1    61 ALA  HN      5.50             (#peak   261 #SUP  0.54  #QF  0.54)
 &rst
  ixpk= 261, nxpk= 0, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 835, 836, 837,
 &end
#
#  53 LEU  QD1    64 ASP- HA      4.23             (#peak   394 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 394, nxpk= 0, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 835, 836, 837,
 &end
#
#  53 LEU  QD1    64 ASP- QB      5.11             (#peak   397 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 397, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 835, 836, 837,
 igr2=1014,1015,
 &end
#
#  53 LEU  QD1    66 TYR  QD      4.64             (#peak   392 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 392, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 835, 836, 837,
 igr2=1044,1053,
 &end
#
#  53 LEU  QD1    66 TYR  QE      3.49             (#peak   393 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 393, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 835, 836, 837,
 igr2=1046,1051,
 &end
#
#  53 LEU  QD2    54 LYS+ HN      4.37             (#peak   172 #SUP  1.00)
 &rst
  ixpk= 172, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 839, 840, 841,
 &end
#
#  53 LEU  QD2    56 LEU  QD1     5.23             (#peak   410 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 410, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1= 839, 840, 841,
 igr2= 895, 896, 897,
 &end
#
#  53 LEU  QD2    64 ASP- QB      4.40             (#peak   407 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 407, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 839, 840, 841,
 igr2=1014,1015,
 &end
#
#  53 LEU  QD2    66 TYR  QE      4.63             (#peak   404 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 404, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 839, 840, 841,
 igr2=1046,1051,
 &end
#
#  54 LYS+ HA     54 LYS+ HG2     3.95             (#peak   428 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 428, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  54 LYS+ HA     54 LYS+ HG3     3.95             (#peak   429 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 429, nxpk= 0, iat= 847, 853, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  54 LYS+ HA     54 LYS+ QD      4.41             (#peak   442 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 442, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 855, 856,
 &end
#
#  54 LYS+ HA     54 LYS+ QE      5.02             (#peak   441)
 &rst
  ixpk= 441, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 858, 859,
 &end
#
#  54 LYS+ HA     54 LYS+ QG      3.42             (#peak   429)
 &rst
  ixpk= 429, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 852, 853,
 &end
#
#  54 LYS+ HA     57 LYS+ HN      3.95             (#peak   210 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 210, nxpk= 0, iat= 847, 905, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  54 LYS+ HA     57 LYS+ QD      3.95             (#peak   585 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 585, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 915, 916,
 &end
#
#  54 LYS+ HA     57 LYS+ QE      4.68             (#peak   440 #SUP  0.47  #QF  0.47)
 &rst
  ixpk= 440, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 918, 919,
 &end
#
#  54 LYS+ HA     57 LYS+ QG      4.67             (#peak   579)
 &rst
  ixpk= 579, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 912, 913,
 &end
#
#  54 LYS+ HB2    54 LYS+ QD      3.38             (#peak   447 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 447, nxpk= 0, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 855, 856,
 &end
#
#  54 LYS+ HB2    55 LEU  HN      3.99             (#peak   182 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 182, nxpk= 0, iat= 849, 867, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  54 LYS+ HB3    54 LYS+ QD      3.38             (#peak   446 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 446, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 855, 856,
 &end
#
#  54 LYS+ HB3    55 LEU  HN      3.99             (#peak   181 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 181, nxpk= 0, iat= 850, 867, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  54 LYS+ HN     54 LYS+ HB2     3.29             (#peak   167 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 167, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  54 LYS+ HN     54 LYS+ HB3     3.29             (#peak   165 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 165, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  54 LYS+ HN     54 LYS+ HG2     4.61             (#peak   431 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 431, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  54 LYS+ HN     54 LYS+ HG3     4.61             (#peak   169 #SUP  1.00)
 &rst
  ixpk= 169, nxpk= 0, iat= 845, 853, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  54 LYS+ HN     54 LYS+ QD      4.65             (#peak   444 #SUP  1.00)
 &rst
  ixpk= 444, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 855, 856,
 &end
#
#  54 LYS+ HN     55 LEU  HN      3.40             (#peak   161 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 161, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  54 LYS+ HN     99 LEU  QD1     5.50             (#peak   173 #SUP  0.96  #QF  0.57)
 &rst
  ixpk= 173, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1614,1615,1616,
 &end
#
#  54 LYS+ HN     99 LEU  QD2     5.32             (#peak  2276 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2276, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1618,1619,1620,
 &end
#
#  54 LYS+ QB     54 LYS+ QE      3.56             (#peak  2316)
 &rst
  ixpk= 2316, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 849, 850,
 igr2= 858, 859,
 &end
#
#  54 LYS+ QB     55 LEU  HN      3.47             (#peak   181)
 &rst
  ixpk= 181, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 849, 850,
 &end
#
#  54 LYS+ QD     99 LEU  QD1     4.80             (#peak   449 #SUP  0.92  #QF  0.24)
 &rst
  ixpk= 449, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 855, 856,
 igr2=1614,1615,1616,
 &end
#
#  54 LYS+ QD     99 LEU  QD2     4.00             (#peak   450 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 450, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 855, 856,
 igr2=1618,1619,1620,
 &end
#
#  54 LYS+ QE     99 LEU  QD1     3.94             (#peak  2097)
 &rst
  ixpk= 2097, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 858, 859,
 igr2=1614,1615,1616,
 &end
#
#  54 LYS+ QE     99 LEU  QD2     3.85             (#peak  2311)
 &rst
  ixpk= 2311, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 858, 859,
 igr2=1618,1619,1620,
 &end
#
#  54 LYS+ QG     54 LYS+ QE      2.94             (#peak  2313)
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 852, 853,
 igr2= 858, 859,
 &end
#
#  55 LEU  HA     55 LEU  HG      3.87             (#peak   507 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 507, nxpk= 0, iat= 869, 874, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  55 LEU  HA     55 LEU  QD1     3.67             (#peak   473 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 473, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 876, 877, 878,
 &end
#
#  55 LEU  HA     55 LEU  QD2     3.67             (#peak   486 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 486, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 880, 881, 882,
 &end
#
#  55 LEU  HA     58 SER  HN      4.26             (#peak   237 #SUP  0.48  #QF  0.48)
 &rst
  ixpk= 237, nxpk= 0, iat= 869, 927, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  55 LEU  HA     78 TYR  QE      5.07             (#peak   501 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 501, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1254,1259,
 &end
#
#  55 LEU  HA     99 LEU  QD1     4.76             (#peak  2280 #SUP  1.00)
 &rst
  ixpk= 2280, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1614,1615,1616,
 &end
#
#  55 LEU  HA     99 LEU  QD2     3.70             (#peak  2272 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2272, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1618,1619,1620,
 &end
#
#  55 LEU  HB2    55 LEU  QD1     3.98             (#peak   475 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 475, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 876, 877, 878,
 &end
#
#  55 LEU  HB2    55 LEU  QD2     3.98             (#peak   490 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 490, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 880, 881, 882,
 &end
#
#  55 LEU  HB2    56 LEU  HN      4.11             (#peak   198 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 198, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  55 LEU  HB3    55 LEU  QD1     3.98             (#peak   476 #SUP  1.00)
 &rst
  ixpk= 476, nxpk= 0, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 876, 877, 878,
 &end
#
#  55 LEU  HB3    55 LEU  QD2     3.98             (#peak   460 #SUP  1.00)
 &rst
  ixpk= 460, nxpk= 0, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 880, 881, 882,
 &end
#
#  55 LEU  HB3    56 LEU  HN      4.11             (#peak   199 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 199, nxpk= 0, iat= 872, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  55 LEU  HG     78 TYR  QD      4.56             (#peak   496 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 496, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1252,1261,
 &end
#
#  55 LEU  HN     55 LEU  HB2     3.35             (#peak   179 #SUP  1.00)
 &rst
  ixpk= 179, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  55 LEU  HN     55 LEU  HB3     3.35             (#peak   180 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 180, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  55 LEU  HN     55 LEU  HG      4.69             (#peak   495 #SUP  1.00)
 &rst
  ixpk= 495, nxpk= 0, iat= 867, 874, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  55 LEU  HN     55 LEU  QD1     4.43             (#peak   468 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 468, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 876, 877, 878,
 &end
#
#  55 LEU  HN     55 LEU  QD2     4.43             (#peak   483 #SUP  1.00)
 &rst
  ixpk= 483, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 880, 881, 882,
 &end
#
#  55 LEU  HN     55 LEU  QQD     3.84             (#peak   468)
 &rst
  ixpk= 468, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  HN     56 LEU  HG      4.37             (#peak   183 #SUP  0.50  #QF  0.50)
 &rst
  ixpk= 183, nxpk= 0, iat= 867, 893, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  55 LEU  HN     56 LEU  HN      3.56             (#peak   192 #SUP  1.00)
 &rst
  ixpk= 192, nxpk= 0, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  55 LEU  HN     56 LEU  QD2     5.50             (#peak   543 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 543, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 899, 900, 901,
 &end
#
#  55 LEU  HN     57 LYS+ HN      4.86             (#peak   208 #SUP  1.00  #QF  0.92)
 &rst
  ixpk= 208, nxpk= 0, iat= 867, 905, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  55 LEU  HN     99 LEU  QD1     4.59             (#peak  2096 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2096, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1614,1615,1616,
 &end
#
#  55 LEU  HN     99 LEU  QD2     3.90             (#peak  2275 #SUP  1.00)
 &rst
  ixpk= 2275, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1618,1619,1620,
 &end
#
#  55 LEU  HN    103 LEU  QQD     4.51             (#peak   187)
 &rst
  ixpk= 187, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  55 LEU  QB     55 LEU  QQD     2.68             (#peak   475)
 &rst
  ixpk= 475, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 871, 872,
 igr2= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QB     56 LEU  HN      3.49             (#peak   199)
 &rst
  ixpk= 199, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 871, 872,
 &end
#
#  55 LEU  QB     78 TYR  QD      5.34             (#peak  1082)
 &rst
  ixpk= 1082, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 igr2=1252,1261,
 &end
#
#  55 LEU  QB    103 LEU  QQD     4.11             (#peak   463)
 &rst
  ixpk= 463, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 871, 872,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  55 LEU  QD1    56 LEU  HN      5.01             (#peak   467 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 467, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 876, 877, 878,
 &end
#
#  55 LEU  QD1    75 LEU  QD1     3.15             (#peak   478 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 478, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 876, 877, 878,
 igr2=1210,1211,1212,
 &end
#
#  55 LEU  QD1    75 LEU  QD2     5.02             (#peak  1034 #SUP  1.00)
 &rst
  ixpk= 1034, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 876, 877, 878,
 igr2=1214,1215,1216,
 &end
#
#  55 LEU  QD1    78 TYR  QD      3.80             (#peak   469 #SUP  1.00)
 &rst
  ixpk= 469, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 876, 877, 878,
 igr2=1252,1261,
 &end
#
#  55 LEU  QD1    78 TYR  QE      4.60             (#peak   470 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 470, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 876, 877, 878,
 igr2=1254,1259,
 &end
#
#  55 LEU  QD2    56 LEU  HN      5.01             (#peak   482 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 482, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 880, 881, 882,
 &end
#
#  55 LEU  QD2    75 LEU  QD1     3.15             (#peak   493 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 493, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 880, 881, 882,
 igr2=1210,1211,1212,
 &end
#
#  55 LEU  QD2    75 LEU  QD2     5.02             (#peak  1033 #SUP  1.00)
 &rst
  ixpk= 1033, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 880, 881, 882,
 igr2=1214,1215,1216,
 &end
#
#  55 LEU  QD2    78 TYR  QD      3.80             (#peak   484 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 484, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 880, 881, 882,
 igr2=1252,1261,
 &end
#
#  55 LEU  QD2    78 TYR  QE      4.60             (#peak  2238 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 2238, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 880, 881, 882,
 igr2=1254,1259,
 &end
#
#  55 LEU  QQD    56 LEU  HA      3.51             (#peak   487)
 &rst
  ixpk= 487, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD    56 LEU  HN      3.66             (#peak   482)
 &rst
  ixpk= 482, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD    59 VAL  QG1     4.15             (#peak   639)
 &rst
  ixpk= 639, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2= 944, 945, 946,
 &end
#
#  55 LEU  QQD    59 VAL  QG2     3.91             (#peak   626)
 &rst
  ixpk= 626, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2= 948, 949, 950,
 &end
#
#  55 LEU  QQD    75 LEU  HA      3.26             (#peak   485)
 &rst
  ixpk= 485, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD    75 LEU  HN      4.86             (#peak   480)
 &rst
  ixpk= 480, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD    75 LEU  QD1     2.64             (#peak   493)
 &rst
  ixpk= 493, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1210,1211,1212,
 &end
#
#  55 LEU  QQD    75 LEU  QD2     4.32             (#peak  1033)
 &rst
  ixpk= 1033, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1214,1215,1216,
 &end
#
#  55 LEU  QQD    78 TYR  HN      4.56             (#peak   481)
 &rst
  ixpk= 481, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD    78 TYR  QB      3.32             (#peak   489)
 &rst
  ixpk= 489, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1248,1249,
 &end
#
#  55 LEU  QQD    78 TYR  QE      3.62             (#peak   470)
 &rst
  ixpk= 470, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1254,1259,
 &end
#
#  55 LEU  QQD    99 LEU  HG      4.07             (#peak  2284)
 &rst
  ixpk= 2284, nxpk= 0, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD    99 LEU  QD1     3.63             (#peak  2281)
 &rst
  ixpk= 2281, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1614,1615,1616,
 &end
#
#  55 LEU  QQD    99 LEU  QD2     3.46             (#peak  2270)
 &rst
  ixpk= 2270, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1618,1619,1620,
 &end
#
#  55 LEU  QQD   100 LEU  HA      4.07             (#peak   472)
 &rst
  ixpk= 472, nxpk= 0, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD   100 LEU  QB      4.16             (#peak  1519)
 &rst
  ixpk= 1519, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1628,1629,
 &end
#
#  55 LEU  QQD   100 LEU  QD1     3.12             (#peak   479)
 &rst
  ixpk= 479, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1633,1634,1635,
 &end
#
#  55 LEU  QQD   103 LEU  HG      3.76             (#peak   476)
 &rst
  ixpk= 476, nxpk= 0, iat=  -1,1669, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 876, 877, 878, 880, 881, 882,
 &end
#
#  55 LEU  QQD   103 LEU  QQD     3.07             (#peak  2032)
 &rst
  ixpk= 2032, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 876, 877, 878, 880, 881, 882,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  56 LEU  HA     56 LEU  QD1     4.48             (#peak   530 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 530, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 895, 896, 897,
 &end
#
#  56 LEU  HA     56 LEU  QD2     3.02             (#peak   557 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 557, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 899, 900, 901,
 &end
#
#  56 LEU  HA     59 VAL  HN      4.45             (#peak   526 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 526, nxpk= 0, iat= 888, 938, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  56 LEU  HA     59 VAL  QG2     3.32             (#peak   619 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 619, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 948, 949, 950,
 &end
#
#  56 LEU  HA     61 ALA  QB      3.98             (#peak   651 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 651, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 965, 966, 967,
 &end
#
#  56 LEU  HB2    56 LEU  QD1     3.64             (#peak   537 #SUP  1.00)
 &rst
  ixpk= 537, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 895, 896, 897,
 &end
#
#  56 LEU  HB2    57 LYS+ HN      4.19             (#peak   217 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 217, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  56 LEU  HB2    61 ALA  QB      3.61             (#peak   655 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 655, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 965, 966, 967,
 &end
#
#  56 LEU  HB3    56 LEU  QD1     3.64             (#peak   534 #SUP  1.00)
 &rst
  ixpk= 534, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 895, 896, 897,
 &end
#
#  56 LEU  HB3    57 LYS+ HN      4.19             (#peak   214 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 214, nxpk= 0, iat= 891, 905, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  56 LEU  HB3    61 ALA  QB      3.61             (#peak   658 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 658, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 965, 966, 967,
 &end
#
#  56 LEU  HG     61 ALA  QB      4.85             (#peak   654 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 654, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 965, 966, 967,
 &end
#
#  56 LEU  HN     56 LEU  HB2     3.98             (#peak   196 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 196, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  56 LEU  HN     56 LEU  HB3     3.98             (#peak   201 #SUP  1.00)
 &rst
  ixpk= 201, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  56 LEU  HN     56 LEU  HG      3.36             (#peak   197 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 197, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  56 LEU  HN     56 LEU  QB      3.31             (#peak   196)
 &rst
  ixpk= 196, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 890, 891,
 &end
#
#  56 LEU  HN     56 LEU  QD1     4.12             (#peak   511 #SUP  1.00)
 &rst
  ixpk= 511, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 895, 896, 897,
 &end
#
#  56 LEU  HN     56 LEU  QD2     3.78             (#peak   542 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 542, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 899, 900, 901,
 &end
#
#  56 LEU  HN     57 LYS+ HN      3.65             (#peak   191 #SUP  1.00)
 &rst
  ixpk= 191, nxpk= 0, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  56 LEU  HN     58 SER  HN      4.52             (#peak   242 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 242, nxpk= 0, iat= 886, 927, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  56 LEU  HN     59 VAL  QG2     5.27             (#peak   607 #SUP  0.89  #QF  0.80)
 &rst
  ixpk= 607, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 948, 949, 950,
 &end
#
#  56 LEU  HN     61 ALA  QB      4.62             (#peak   643 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 643, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 965, 966, 967,
 &end
#
#  56 LEU  QB     56 LEU  QD2     3.32             (#peak   549)
 &rst
  ixpk= 549, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 890, 891,
 igr2= 899, 900, 901,
 &end
#
#  56 LEU  QB     57 LYS+ HN      3.47             (#peak   217)
 &rst
  ixpk= 217, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 890, 891,
 &end
#
#  56 LEU  QB     61 ALA  QB      3.04             (#peak   658)
 &rst
  ixpk= 658, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 890, 891,
 igr2= 965, 966, 967,
 &end
#
#  56 LEU  QD1    57 LYS+ HN      4.60             (#peak   212 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 212, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 895, 896, 897,
 &end
#
#  56 LEU  QD1    66 TYR  QE      4.41             (#peak   752 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 895, 896, 897,
 igr2=1046,1051,
 &end
#
#  56 LEU  QD1    71 VAL  HA      4.16             (#peak   845 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 845, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 895, 896, 897,
 &end
#
#  56 LEU  QD1    71 VAL  QG1     3.38             (#peak   876 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 876, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 895, 896, 897,
 igr2=1131,1132,1133,
 &end
#
#  56 LEU  QD1    71 VAL  QG2     3.52             (#peak   865 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 865, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 895, 896, 897,
 igr2=1135,1136,1137,
 &end
#
#  56 LEU  QD2    57 LYS+ HN      4.98             (#peak   541 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 541, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    59 VAL  HN      5.50             (#peak   543 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 543, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    59 VAL  QG2     3.83             (#peak   560 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 560, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 899, 900, 901,
 igr2= 948, 949, 950,
 &end
#
#  56 LEU  QD2    66 TYR  QE      5.50             (#peak   546 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 546, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 899, 900, 901,
 igr2=1046,1051,
 &end
#
#  56 LEU  QD2    71 VAL  HA      3.54             (#peak   556 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 556, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    71 VAL  QG1     3.18             (#peak   875 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 875, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 899, 900, 901,
 igr2=1131,1132,1133,
 &end
#
#  56 LEU  QD2    74 TYR  HB2     3.34             (#peak   554 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 554, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    74 TYR  HB3     3.35             (#peak   555 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 555, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    74 TYR  HN      4.20             (#peak   428 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 428, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    74 TYR  QD      3.68             (#peak   544 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 544, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 899, 900, 901,
 igr2=1188,1197,
 &end
#
#  56 LEU  QD2    74 TYR  QE      5.11             (#peak   545 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 545, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 899, 900, 901,
 igr2=1190,1195,
 &end
#
#  56 LEU  QD2    75 LEU  HA      3.97             (#peak   559 #SUP  0.77  #QF  0.46)
 &rst
  ixpk= 559, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    75 LEU  HB2     4.68             (#peak   903 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 903, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    75 LEU  HB3     4.68             (#peak   563 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 563, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    75 LEU  HN      3.83             (#peak   540 #SUP  1.00)
 &rst
  ixpk= 540, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 899, 900, 901,
 &end
#
#  56 LEU  QD2    75 LEU  QB      4.03             (#peak   563)
 &rst
  ixpk= 563, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 899, 900, 901,
 igr2=1205,1206,
 &end
#
#  56 LEU  QD2    75 LEU  QD2     4.38             (#peak   548 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 548, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 899, 900, 901,
 igr2=1214,1215,1216,
 &end
#
#  57 LYS+ HA     57 LYS+ HG2     3.84             (#peak   576 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 576, nxpk= 0, iat= 907, 912, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  57 LYS+ HA     57 LYS+ HG3     3.84             (#peak   570 #SUP  0.97  #QF  0.95)
 &rst
  ixpk= 570, nxpk= 0, iat= 907, 913, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  57 LYS+ HA     57 LYS+ QD      4.24             (#peak   584 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 584, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 915, 916,
 &end
#
#  57 LYS+ HA     57 LYS+ QG      3.37             (#peak   576)
 &rst
  ixpk= 576, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 912, 913,
 &end
#
#  57 LYS+ HA     59 VAL  HN      4.24             (#peak   225 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 225, nxpk= 0, iat= 907, 938, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  57 LYS+ HA     59 VAL  QG2     4.63             (#peak   616 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 616, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 948, 949, 950,
 &end
#
#  57 LYS+ HA     60 GLY  HN      4.21             (#peak   247 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 247, nxpk= 0, iat= 907, 954, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  57 LYS+ HA     61 ALA  HN      3.45             (#peak   255 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 255, nxpk= 0, iat= 907, 961, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  57 LYS+ HA     61 ALA  QB      3.51             (#peak   649 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 649, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 965, 966, 967,
 &end
#
#  57 LYS+ HG2    57 LYS+ QE      3.88             (#peak   592 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 592, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 918, 919,
 &end
#
#  57 LYS+ HG3    57 LYS+ QE      3.88             (#peak   578 #SUP  1.00)
 &rst
  ixpk= 578, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 918, 919,
 &end
#
#  57 LYS+ HN     57 LYS+ QB      3.16             (#peak   218 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 218, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 909, 910,
 &end
#
#  57 LYS+ HN     57 LYS+ QD      4.22             (#peak   582 #SUP  1.00)
 &rst
  ixpk= 582, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 915, 916,
 &end
#
#  57 LYS+ HN     57 LYS+ QE      4.91             (#peak   219 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 219, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 918, 919,
 &end
#
#  57 LYS+ HN     57 LYS+ QG      3.16             (#peak   216)
 &rst
  ixpk= 216, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 912, 913,
 &end
#
#  57 LYS+ HN     58 SER  HN      3.36             (#peak   232 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 232, nxpk= 0, iat= 905, 927, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  57 LYS+ HN     59 VAL  HN      4.62             (#peak   222 #SUP  1.00)
 &rst
  ixpk= 222, nxpk= 0, iat= 905, 938, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  57 LYS+ HN     61 ALA  HN      5.31             (#peak   253 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 253, nxpk= 0, iat= 905, 961, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  57 LYS+ HN     61 ALA  QB      4.12             (#peak   213 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 213, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 965, 966, 967,
 &end
#
#  57 LYS+ QB     57 LYS+ QD      2.91             (#peak   587 #SUP  1.00)
 &rst
  ixpk= 587, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 909, 910,
 igr2= 915, 916,
 &end
#
#  57 LYS+ QB     57 LYS+ QE      3.55             (#peak   590 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 590, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 909, 910,
 igr2= 918, 919,
 &end
#
#  57 LYS+ QB     58 SER  HN      3.72             (#peak   238 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 238, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 909, 910,
 &end
#
#  57 LYS+ QB     59 VAL  HN      5.06             (#peak   231 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 231, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 909, 910,
 &end
#
#  57 LYS+ QB     61 ALA  HN      4.54             (#peak   258 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 258, nxpk= 0, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 909, 910,
 &end
#
#  57 LYS+ QD     57 LYS+ QE      2.71             (#peak   591 #SUP  0.99  #QF  0.38)
 &rst
  ixpk= 591, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1= 915, 916,
 igr2= 918, 919,
 &end
#
#  57 LYS+ QD     58 SER  HN      5.50             (#peak   239 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 239, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 915, 916,
 &end
#
#  57 LYS+ QD     61 ALA  HN      5.50             (#peak   259 #SUP  0.94  #QF  0.82)
 &rst
  ixpk= 259, nxpk= 0, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 915, 916,
 &end
#
#  57 LYS+ QD     61 ALA  QB      4.56             (#peak   656 #SUP  0.96  #QF  0.80)
 &rst
  ixpk= 656, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 915, 916,
 igr2= 965, 966, 967,
 &end
#
#  57 LYS+ QD     66 TYR  QE      5.14             (#peak   583 #SUP  0.50  #QF  0.50)
 &rst
  ixpk= 583, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 915, 916,
 igr2=1046,1051,
 &end
#
#  57 LYS+ QE     61 ALA  QB      5.02             (#peak   653 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 653, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 918, 919,
 igr2= 965, 966, 967,
 &end
#
#  57 LYS+ QG     57 LYS+ QE      3.13             (#peak   592)
 &rst
  ixpk= 592, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 912, 913,
 igr2= 918, 919,
 &end
#
#  57 LYS+ QG     58 SER  HN      4.73             (#peak   239)
 &rst
  ixpk= 239, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 912, 913,
 &end
#
#  57 LYS+ QG     61 ALA  HN      5.34             (#peak   259)
 &rst
  ixpk= 259, nxpk= 0, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 912, 913,
 &end
#
#  57 LYS+ QG     61 ALA  QB      3.95             (#peak   656)
 &rst
  ixpk= 656, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 912, 913,
 igr2= 965, 966, 967,
 &end
#
#  58 SER  HG     59 VAL  HN      4.38             (#peak   224 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 224, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  58 SER  HN     58 SER  HG      3.44             (#peak   234 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 234, nxpk= 0, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  58 SER  HN     58 SER  QB      3.26             (#peak   236)
 &rst
  ixpk= 236, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 931, 932,
 &end
#
#  58 SER  HN     59 VAL  HN      3.40             (#peak   233 #SUP  1.00)
 &rst
  ixpk= 233, nxpk= 0, iat= 927, 938, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  58 SER  HN     59 VAL  QG1     4.74             (#peak   241 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 241, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 944, 945, 946,
 &end
#
#  58 SER  HN     59 VAL  QG2     4.56             (#peak   240 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 240, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 948, 949, 950,
 &end
#
#  59 VAL  HA     59 VAL  QG1     3.59             (#peak   632 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 632, nxpk= 0, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 944, 945, 946,
 &end
#
#  59 VAL  HA     60 GLY  HN      3.56             (#peak   244 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 244, nxpk= 0, iat= 940, 954, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  59 VAL  HB     60 GLY  HN      4.62             (#peak   251 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 251, nxpk= 0, iat= 942, 954, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  59 VAL  HB     74 TYR  QD      4.46             (#peak   602 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 602, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1188,1197,
 &end
#
#  59 VAL  HN     59 VAL  QG1     3.76             (#peak   229 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 229, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 944, 945, 946,
 &end
#
#  59 VAL  HN     59 VAL  QG2     3.07             (#peak   611 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 611, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 948, 949, 950,
 &end
#
#  59 VAL  HN     60 GLY  HN      3.25             (#peak   243 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 243, nxpk= 0, iat= 938, 954, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  59 VAL  HN     60 GLY  QA      4.72             (#peak   226)
 &rst
  ixpk= 226, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 956, 957,
 &end
#
#  59 VAL  HN     61 ALA  QB      4.68             (#peak   645 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 645, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 965, 966, 967,
 &end
#
#  59 VAL  QG1    60 GLY  HN      4.43             (#peak   249 #SUP  1.00)
 &rst
  ixpk= 249, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG1    74 TYR  HA      5.14             (#peak   635 #SUP  0.95  #QF  0.44)
 &rst
  ixpk= 635, nxpk= 0, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG1    74 TYR  QD      5.20             (#peak   631 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 631, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 944, 945, 946,
 igr2=1188,1197,
 &end
#
#  59 VAL  QG1    78 TYR  HA      3.16             (#peak   633 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 633, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG1    78 TYR  HB2     3.99             (#peak   637 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 637, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG1    78 TYR  HB3     3.99             (#peak   634 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 634, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG1    78 TYR  HN      3.78             (#peak   628 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 628, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG1    78 TYR  QB      3.40             (#peak   637)
 &rst
  ixpk= 637, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 944, 945, 946,
 igr2=1248,1249,
 &end
#
#  59 VAL  QG1    78 TYR  QD      3.35             (#peak   630 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 630, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 944, 945, 946,
 igr2=1252,1261,
 &end
#
#  59 VAL  QG1    78 TYR  QE      4.19             (#peak  2234 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2234, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 944, 945, 946,
 igr2=1254,1259,
 &end
#
#  59 VAL  QG1    81 THR  HB      4.46             (#peak  1189 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 1189, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 944, 945, 946,
 &end
#
#  59 VAL  QG2    60 GLY  HN      4.05             (#peak   252 #SUP  1.00)
 &rst
  ixpk= 252, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    61 ALA  HN      4.89             (#peak   260 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 260, nxpk= 0, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    61 ALA  QB      3.90             (#peak   657 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 657, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 948, 949, 950,
 igr2= 965, 966, 967,
 &end
#
#  59 VAL  QG2    74 TYR  HA      3.81             (#peak   617 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 617, nxpk= 0, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    74 TYR  HB2     4.13             (#peak   620 #SUP  0.60  #QF  0.60)
 &rst
  ixpk= 620, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    74 TYR  HB3     3.36             (#peak   621 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 621, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    74 TYR  HN      5.50             (#peak   607 #SUP  0.89  #QF  0.80)
 &rst
  ixpk= 607, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    74 TYR  QD      3.25             (#peak   612 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 612, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 948, 949, 950,
 igr2=1188,1197,
 &end
#
#  59 VAL  QG2    74 TYR  QE      4.18             (#peak   613 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 613, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 948, 949, 950,
 igr2=1190,1195,
 &end
#
#  59 VAL  QG2    77 GLN  HB2     4.57             (#peak  1049 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1049, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    77 GLN  HB3     4.57             (#peak   624 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 624, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    78 TYR  HA      4.39             (#peak   618 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 618, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    78 TYR  HN      4.00             (#peak   606 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 606, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 948, 949, 950,
 &end
#
#  59 VAL  QG2    78 TYR  QB      4.29             (#peak  1067)
 &rst
  ixpk= 1067, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 948, 949, 950,
 igr2=1248,1249,
 &end
#
#  59 VAL  QG2    78 TYR  QD      4.32             (#peak   614 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 614, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 948, 949, 950,
 igr2=1252,1261,
 &end
#
#  60 GLY  HN     61 ALA  HN      3.37             (#peak   263 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 263, nxpk= 0, iat= 954, 961, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  60 GLY  HN     61 ALA  QB      4.28             (#peak   644 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 644, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 965, 966, 967,
 &end
#
#  61 ALA  HA     63 LYS+ HN      4.39             (#peak   890 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 890, nxpk= 0, iat= 963, 988, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  61 ALA  HN     61 ALA  QB      2.96             (#peak   262 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 262, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 965, 966, 967,
 &end
#
#  61 ALA  QB     62 GLN  HN      4.62             (#peak   302 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 302, nxpk= 0, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 965, 966, 967,
 &end
#
#  61 ALA  QB     63 LYS+ HN      4.75             (#peak   311 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 311, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 965, 966, 967,
 &end
#
#  61 ALA  QB     66 TYR  QE      3.37             (#peak   648 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 648, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 965, 966, 967,
 igr2=1046,1051,
 &end
#
#  61 ALA  QB     74 TYR  HB2     5.50             (#peak   653 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 653, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 965, 966, 967,
 &end
#
#  61 ALA  QB     74 TYR  HB3     4.66             (#peak   652 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 652, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 965, 966, 967,
 &end
#
#  61 ALA  QB     74 TYR  QD      4.07             (#peak   646 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 646, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 965, 966, 967,
 igr2=1188,1197,
 &end
#
#  61 ALA  QB     74 TYR  QE      3.92             (#peak   647 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 647, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 965, 966, 967,
 igr2=1190,1195,
 &end
#
#  62 GLN  HA     62 GLN  HG2     4.16             (#peak  2256 #SUP  1.00)
 &rst
  ixpk= 2256, nxpk= 0, iat= 973, 978, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  62 GLN  HA     62 GLN  HG3     4.16             (#peak  2257 #SUP  1.00)
 &rst
  ixpk= 2257, nxpk= 0, iat= 973, 979, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  62 GLN  HN     62 GLN  QG      4.53             (#peak   889)
 &rst
  ixpk= 889, nxpk= 0, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 978, 979,
 &end
#
#  62 GLN  HN     63 LYS+ HN      3.96             (#peak   303 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 303, nxpk= 0, iat= 971, 988, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  63 LYS+ HA     65 THR  HN      4.61             (#peak   315 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 315, nxpk= 0, iat= 990,1022, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  63 LYS+ HN     63 LYS+ HB2     4.07             (#peak   308 #SUP  1.00)
 &rst
  ixpk= 308, nxpk= 0, iat= 988, 992, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  63 LYS+ HN     63 LYS+ HB3     4.07             (#peak   309 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 309, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  63 LYS+ HN     63 LYS+ HG2     4.07             (#peak   310 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 310, nxpk= 0, iat= 988, 995, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  63 LYS+ HN     63 LYS+ HG3     4.07             (#peak   312 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 312, nxpk= 0, iat= 988, 996, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  63 LYS+ HN     63 LYS+ QB      3.52             (#peak   309)
 &rst
  ixpk= 309, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 992, 993,
 &end
#
#  63 LYS+ HN     63 LYS+ QD      5.07             (#peak   313)
 &rst
  ixpk= 313, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 998, 999,
 &end
#
#  63 LYS+ HN     63 LYS+ QG      3.49             (#peak   312)
 &rst
  ixpk= 312, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 995, 996,
 &end
#
#  63 LYS+ HN     66 TYR  QE      4.35             (#peak   304 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 304, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1046,1051,
 &end
#
#  63 LYS+ QB     63 LYS+ QE      4.04             (#peak   713)
 &rst
  ixpk= 713, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 992, 993,
 igr2=1001,1002,
 &end
#
#  63 LYS+ QB     65 THR  HN      3.49             (#peak   322)
 &rst
  ixpk= 322, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 992, 993,
 &end
#
#  63 LYS+ QB     66 TYR  QD      5.02             (#peak   709)
 &rst
  ixpk= 709, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 992, 993,
 igr2=1044,1053,
 &end
#
#  63 LYS+ QD     65 THR  HN      4.18             (#peak   318)
 &rst
  ixpk= 318, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 998, 999,
 &end
#
#  63 LYS+ QG     63 LYS+ QE      3.34             (#peak   718)
 &rst
  ixpk= 718, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 995, 996,
 igr2=1001,1002,
 &end
#
#  63 LYS+ QG     65 THR  HN      5.06             (#peak   320)
 &rst
  ixpk= 320, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 995, 996,
 &end
#
#  63 LYS+ QG     66 TYR  QE      4.75             (#peak   756)
 &rst
  ixpk= 756, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 995, 996,
 igr2=1046,1051,
 &end
#
#  64 ASP- QB     65 THR  HN      3.93             (#peak   317 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 317, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1014,1015,
 &end
#
#  65 THR  HA     65 THR  QG2     3.58             (#peak   724 #SUP  1.00)
 &rst
  ixpk= 724, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1028,1029,1030,
 &end
#
#  65 THR  HA     66 TYR  HN      3.15             (#peak   326 #SUP  1.00  #QF  0.87)
 &rst
  ixpk= 326, nxpk= 0, iat=1024,1036, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  65 THR  HB     66 TYR  HN      3.54             (#peak   329 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 329, nxpk= 0, iat=1026,1036, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  65 THR  HN     65 THR  HB      4.09             (#peak   316 #SUP  1.00)
 &rst
  ixpk= 316, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  65 THR  HN     65 THR  QG2     3.70             (#peak   321 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 321, nxpk= 0, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1028,1029,1030,
 &end
#
#  65 THR  QG2    66 TYR  HN      3.95             (#peak   332 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 332, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1028,1029,1030,
 &end
#
#  66 TYR  HA     67 THR  HN      3.37             (#peak   338 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 338, nxpk= 0, iat=1038,1057, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  66 TYR  HA     67 THR  QG2     4.60             (#peak   764 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 764, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1063,1064,1065,
 &end
#
#  66 TYR  HB2    67 THR  HN      4.33             (#peak   343 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 343, nxpk= 0, iat=1040,1057, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  66 TYR  HB2    71 VAL  QG2     3.64             (#peak   862 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 862, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1135,1136,1137,
 &end
#
#  66 TYR  HB3    67 THR  HN      4.33             (#peak   340 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 340, nxpk= 0, iat=1041,1057, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  66 TYR  HB3    71 VAL  QG2     3.64             (#peak   858 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 858, nxpk= 0, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1135,1136,1137,
 &end
#
#  66 TYR  HN     66 TYR  HB2     4.15             (#peak   331 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 331, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  66 TYR  HN     66 TYR  HB3     4.15             (#peak   330 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 330, nxpk= 0, iat=1036,1041, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  66 TYR  HN     66 TYR  QB      3.52             (#peak   331)
 &rst
  ixpk= 331, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1040,1041,
 &end
#
#  66 TYR  HN     66 TYR  QD      3.80             (#peak   324 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 324, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1044,1053,
 &end
#
#  66 TYR  HN     71 VAL  QG2     4.46             (#peak   852 #SUP  0.99  #QF  0.33)
 &rst
  ixpk= 852, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1135,1136,1137,
 &end
#
#  66 TYR  QB     67 THR  HN      3.68             (#peak   340)
 &rst
  ixpk= 340, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1040,1041,
 &end
#
#  66 TYR  QB     70 GLU- HB2     4.50             (#peak   826)
 &rst
  ixpk= 826, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1040,1041,
 &end
#
#  66 TYR  QB     71 VAL  HN      4.59             (#peak   744)
 &rst
  ixpk= 744, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1040,1041,
 &end
#
#  66 TYR  QB     71 VAL  QG2     3.10             (#peak   862)
 &rst
  ixpk= 862, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1040,1041,
 igr2=1135,1136,1137,
 &end
#
#  66 TYR  QD     67 THR  HN      4.49             (#peak   336 #SUP  1.00)
 &rst
  ixpk= 336, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1044,1053,
 &end
#
#  66 TYR  QD     70 GLU- HB2     4.55             (#peak   825 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 825, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1044,1053,
 &end
#
#  66 TYR  QD     70 GLU- HN      5.50             (#peak   386 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 386, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1044,1053,
 &end
#
#  66 TYR  QD     71 VAL  QG1     5.50             (#peak   871 #SUP  1.00)
 &rst
  ixpk= 871, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1044,1053,
 igr2=1131,1132,1133,
 &end
#
#  66 TYR  QD     71 VAL  QG2     3.93             (#peak   856 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 856, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1044,1053,
 igr2=1135,1136,1137,
 &end
#
#  66 TYR  QE     71 VAL  QG2     5.50             (#peak   754 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 754, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1046,1051,
 igr2=1135,1136,1137,
 &end
#
#  66 TYR  QE     74 TYR  QE      4.19             (#peak   991 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 991, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1046,1051,
 igr2=1190,1195,
 &end
#
#  67 THR  HA     67 THR  QG2     3.51             (#peak   762 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 762, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1063,1064,1065,
 &end
#
#  67 THR  HB     68 MET  HN      3.79             (#peak   349 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 349, nxpk= 0, iat=1061,1071, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  67 THR  HN     67 THR  QG2     3.38             (#peak   759 #SUP  1.00)
 &rst
  ixpk= 759, nxpk= 0, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1063,1064,1065,
 &end
#
#  67 THR  HN     70 GLU- HB2     4.03             (#peak   342 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 342, nxpk= 0, iat=1057,1114, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  67 THR  HN     70 GLU- HB3     3.77             (#peak   341 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 341, nxpk= 0, iat=1057,1115, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  67 THR  HN     70 GLU- HN      4.29             (#peak   373 #SUP  1.00)
 &rst
  ixpk= 373, nxpk= 0, iat=1057,1110, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  67 THR  HN     71 VAL  HN      4.72             (#peak   335 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 335, nxpk= 0, iat=1057,1125, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  67 THR  HN     71 VAL  QG2     4.40             (#peak   345 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 345, nxpk= 0, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1135,1136,1137,
 &end
#
#  67 THR  QG2    68 MET  HN      4.25             (#peak   758 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 758, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1063,1064,1065,
 &end
#
#  67 THR  QG2    69 LYS+ HN      4.40             (#peak   760 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 760, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1063,1064,1065,
 &end
#
#  67 THR  QG2    70 GLU- HB2     3.99             (#peak   767 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 767, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1063,1064,1065,
 &end
#
#  67 THR  QG2    70 GLU- HN      4.56             (#peak   761 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 761, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1063,1064,1065,
 &end
#
#  68 MET  HA     68 MET  QE      3.66             (#peak  2339 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 2339, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1082,1083,1084,
 &end
#
#  68 MET  HA     68 MET  QG      3.67             (#peak   784)
 &rst
  ixpk= 784, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1078,1079,
 &end
#
#  68 MET  HA     71 VAL  HB      4.04             (#peak   849 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 849, nxpk= 0, iat=1073,1129, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  68 MET  HA     71 VAL  HN      4.07             (#peak   389 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 389, nxpk= 0, iat=1073,1125, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  68 MET  HA     71 VAL  QG2     3.60             (#peak   857 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 857, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1135,1136,1137,
 &end
#
#  68 MET  HA     72 LEU  QD1     5.02             (#peak   923 #SUP  0.99  #QF  0.25)
 &rst
  ixpk= 923, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1150,1151,1152,
 &end
#
#  68 MET  HG2    68 MET  QE      3.07             (#peak   793 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 793, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1082,1083,1084,
 &end
#
#  68 MET  HG3    68 MET  QE      3.07             (#peak   792 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 792, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1082,1083,1084,
 &end
#
#  68 MET  HN     68 MET  HG2     4.75             (#peak   353 #SUP  1.00)
 &rst
  ixpk= 353, nxpk= 0, iat=1071,1078, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  68 MET  HN     68 MET  HG3     4.75             (#peak   352 #SUP  1.00)
 &rst
  ixpk= 352, nxpk= 0, iat=1071,1079, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  68 MET  HN     68 MET  QB      3.58             (#peak   351 #SUP  1.00)
 &rst
  ixpk= 351, nxpk= 0, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1075,1076,
 &end
#
#  68 MET  HN     68 MET  QE      4.57             (#peak   354 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 354, nxpk= 0, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1082,1083,1084,
 &end
#
#  68 MET  HN     68 MET  QG      4.17             (#peak   352)
 &rst
  ixpk= 352, nxpk= 0, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1078,1079,
 &end
#
#  68 MET  HN     69 LYS+ HN      3.83             (#peak   357 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 357, nxpk= 0, iat=1071,1088, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  68 MET  QB     69 LYS+ HA      4.22             (#peak   804 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 804, nxpk= 0, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1075,1076,
 &end
#
#  68 MET  QB     69 LYS+ HN      3.69             (#peak   367 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 367, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=1075,1076,
 &end
#
#  68 MET  QB     71 VAL  QG2     5.50             (#peak   778 #SUP  0.90  #QF  0.58)
 &rst
  ixpk= 778, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1075,1076,
 igr2=1135,1136,1137,
 &end
#
#  68 MET  QB     72 LEU  QD2     5.38             (#peak   779 #SUP  0.22  #QF  0.22)
 &rst
  ixpk= 779, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1075,1076,
 igr2=1154,1155,1156,
 &end
#
#  68 MET  QE    122 ALA  HA      3.37             (#peak   791 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 791, nxpk= 0, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1082,1083,1084,
 &end
#
#  68 MET  QE    122 ALA  HN      4.83             (#peak   788 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 788, nxpk= 0, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1082,1083,1084,
 &end
#
#  68 MET  QE    125 THR  QG2     3.16             (#peak   794 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 794, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1082,1083,1084,
 igr2=2028,2029,2030,
 &end
#
#  68 MET  QG     69 LYS+ HN      5.05             (#peak   365)
 &rst
  ixpk= 365, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1078,1079,
 &end
#
#  69 LYS+ HA     69 LYS+ QD      4.14             (#peak   811 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 811, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1098,1099,
 &end
#
#  69 LYS+ HA     69 LYS+ QE      5.11             (#peak   806 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 806, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1101,1102,
 &end
#
#  69 LYS+ HA     69 LYS+ QG      3.70             (#peak   807 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 807, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1095,1096,
 &end
#
#  69 LYS+ HA     72 LEU  HN      4.42             (#peak   400 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 400, nxpk= 0, iat=1090,1141, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  69 LYS+ HA     72 LEU  QB      3.87             (#peak   798)
 &rst
  ixpk= 798, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1145,1146,
 &end
#
#  69 LYS+ HA     72 LEU  QD1     3.95             (#peak   805 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 805, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1150,1151,1152,
 &end
#
#  69 LYS+ HB2    70 GLU- HN      4.22             (#peak   382 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 382, nxpk= 0, iat=1092,1110, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  69 LYS+ HB3    70 GLU- HN      4.22             (#peak   383 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 383, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  69 LYS+ HN     69 LYS+ HB2     3.43             (#peak   368 #SUP  0.99  #QF  0.97)
 &rst
  ixpk= 368, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  69 LYS+ HN     69 LYS+ HB3     3.43             (#peak   369 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 369, nxpk= 0, iat=1088,1093, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  69 LYS+ HN     69 LYS+ QD      4.52             (#peak   810 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 810, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1098,1099,
 &end
#
#  69 LYS+ HN     69 LYS+ QG      4.01             (#peak   370 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 370, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1095,1096,
 &end
#
#  69 LYS+ HN     70 GLU- HB2     5.50             (#peak   366 #SUP  0.88  #QF  0.62)
 &rst
  ixpk= 366, nxpk= 0, iat=1088,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 LYS+ HN     70 GLU- HN      3.68             (#peak   374 #SUP  1.00)
 &rst
  ixpk= 374, nxpk= 0, iat=1088,1110, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  69 LYS+ HN     71 VAL  HB      5.50             (#peak   365 #SUP  0.92  #QF  0.90)
 &rst
  ixpk= 365, nxpk= 0, iat=1088,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 LYS+ QB     69 LYS+ QE      4.63             (#peak   815)
 &rst
  ixpk= 815, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1092,1093,
 igr2=1101,1102,
 &end
#
#  69 LYS+ QG     69 LYS+ QD      2.58             (#peak   813 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 813, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr1=1095,1096,
 igr2=1098,1099,
 &end
#
#  69 LYS+ QG     69 LYS+ QE      2.96             (#peak  2314 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 2314, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1=1095,1096,
 igr2=1101,1102,
 &end
#
#  69 LYS+ QG     72 LEU  QD1     4.87             (#peak   933 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 933, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1095,1096,
 igr2=1150,1151,1152,
 &end
#
#  70 GLU- HA     70 GLU- HG2     4.23             (#peak   837 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 837, nxpk= 0, iat=1112,1117, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  70 GLU- HA     70 GLU- HG3     4.23             (#peak   820 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 820, nxpk= 0, iat=1112,1118, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  70 GLU- HA     70 GLU- QG      3.68             (#peak   837)
 &rst
  ixpk= 837, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1117,1118,
 &end
#
#  70 GLU- HA     73 PHE  HN      4.06             (#peak   412 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 412, nxpk= 0, iat=1112,1160, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  70 GLU- HA     73 PHE  QB      3.88             (#peak   836 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 836, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1164,1165,
 &end
#
#  70 GLU- HA     74 TYR  QE      4.90             (#peak   835 #SUP  0.60  #QF  0.60)
 &rst
  ixpk= 835, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1190,1195,
 &end
#
#  70 GLU- HB2    71 VAL  HN      4.23             (#peak   395 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 395, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  70 GLU- HB3    71 VAL  HN      4.08             (#peak   393 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 393, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  70 GLU- HB3    71 VAL  QG2     4.32             (#peak   860 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 860, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1135,1136,1137,
 &end
#
#  70 GLU- HB3    74 TYR  QE      5.06             (#peak   830 #SUP  0.92  #QF  0.85)
 &rst
  ixpk= 830, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1190,1195,
 &end
#
#  70 GLU- HN     70 GLU- HB2     3.80             (#peak   380 #SUP  1.00)
 &rst
  ixpk= 380, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  70 GLU- HN     70 GLU- HB3     3.70             (#peak   378 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 378, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  70 GLU- HN     70 GLU- HG2     4.19             (#peak   817 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 817, nxpk= 0, iat=1110,1117, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  70 GLU- HN     70 GLU- HG3     4.19             (#peak   381 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 381, nxpk= 0, iat=1110,1118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  70 GLU- HN     70 GLU- QG      3.63             (#peak   381)
 &rst
  ixpk= 381, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1117,1118,
 &end
#
#  70 GLU- HN     71 VAL  HN      3.55             (#peak   375 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 375, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  70 GLU- HN     71 VAL  QG2     4.50             (#peak   385 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 385, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1135,1136,1137,
 &end
#
#  70 GLU- QG     74 TYR  QE      4.60             (#peak   818)
 &rst
  ixpk= 818, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1117,1118,
 igr2=1190,1195,
 &end
#
#  71 VAL  HA     71 VAL  QG1     3.22             (#peak   866 #SUP  1.00)
 &rst
  ixpk= 866, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1131,1132,1133,
 &end
#
#  71 VAL  HA     71 VAL  QG2     3.15             (#peak   859 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 859, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1135,1136,1137,
 &end
#
#  71 VAL  HA     74 TYR  HB2     4.76             (#peak   842 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 842, nxpk= 0, iat=1127,1184, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  71 VAL  HA     74 TYR  QD      4.47             (#peak   984 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 984, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1188,1197,
 &end
#
#  71 VAL  HA     75 LEU  HN      4.83             (#peak   433 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 433, nxpk= 0, iat=1127,1201, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  71 VAL  HA    121 MET  QE      5.08             (#peak  1886 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1886, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1978,1979,1980,
 &end
#
#  71 VAL  HB     72 LEU  HG      4.72             (#peak   939 #SUP  0.78  #QF  0.54)
 &rst
  ixpk= 939, nxpk= 0, iat=1129,1148, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  71 VAL  HB     72 LEU  HN      3.61             (#peak   402 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 402, nxpk= 0, iat=1129,1141, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  71 VAL  HB    121 MET  QE      3.23             (#peak  1888 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1888, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1978,1979,1980,
 &end
#
#  71 VAL  HN     71 VAL  HB      3.44             (#peak   394 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 394, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  71 VAL  HN     71 VAL  QG1     3.94             (#peak   868 #SUP  1.00)
 &rst
  ixpk= 868, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1131,1132,1133,
 &end
#
#  71 VAL  HN     71 VAL  QG2     3.05             (#peak   853 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 853, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1135,1136,1137,
 &end
#
#  71 VAL  HN     72 LEU  HN      3.61             (#peak   387 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 387, nxpk= 0, iat=1125,1141, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  71 VAL  HN    121 MET  QE      5.39             (#peak  1882 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1882, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1978,1979,1980,
 &end
#
#  71 VAL  QG1    72 LEU  HA      3.81             (#peak   867 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 867, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1131,1132,1133,
 &end
#
#  71 VAL  QG1    72 LEU  HN      3.69             (#peak   406 #SUP  1.00)
 &rst
  ixpk= 406, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1131,1132,1133,
 &end
#
#  71 VAL  QG1    75 LEU  HB2     4.11             (#peak   902 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 902, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1131,1132,1133,
 &end
#
#  71 VAL  QG1    75 LEU  HB3     4.11             (#peak   873 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 873, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1131,1132,1133,
 &end
#
#  71 VAL  QG1    75 LEU  HN      4.40             (#peak   870 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 870, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1131,1132,1133,
 &end
#
#  71 VAL  QG1   121 MET  QE      2.40             (#peak  1890 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 1890, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1131,1132,1133,
 igr2=1978,1979,1980,
 &end
#
#  71 VAL  QG2    72 LEU  HN      4.64             (#peak   852 #SUP  0.99  #QF  0.33)
 &rst
  ixpk= 852, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1135,1136,1137,
 &end
#
#  72 LEU  HA     72 LEU  HG      4.18             (#peak   880 #SUP  0.97  #QF  0.81)
 &rst
  ixpk= 880, nxpk= 0, iat=1143,1148, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  72 LEU  HA     72 LEU  QD1     5.24             (#peak   923 #SUP  0.99  #QF  0.25)
 &rst
  ixpk= 923, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1150,1151,1152,
 &end
#
#  72 LEU  HA     72 LEU  QD2     3.08             (#peak   912 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 912, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1154,1155,1156,
 &end
#
#  72 LEU  HA     75 LEU  HB2     4.48             (#peak   897 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 897, nxpk= 0, iat=1143,1205, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  72 LEU  HA     75 LEU  HB3     4.48             (#peak   888 #SUP  1.00)
 &rst
  ixpk= 888, nxpk= 0, iat=1143,1206, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  72 LEU  HA     75 LEU  HN      4.43             (#peak   431 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 431, nxpk= 0, iat=1143,1201, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  72 LEU  HA     75 LEU  QB      3.84             (#peak   897)
 &rst
  ixpk= 897, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1205,1206,
 &end
#
#  72 LEU  HA     75 LEU  QD1     5.29             (#peak  1002 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1002, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1210,1211,1212,
 &end
#
#  72 LEU  HA     75 LEU  QD2     4.55             (#peak  1026 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1026, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1214,1215,1216,
 &end
#
#  72 LEU  HA    121 MET  QE      3.19             (#peak  1885 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1885, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1978,1979,1980,
 &end
#
#  72 LEU  HB2    72 LEU  QD1     3.70             (#peak   930 #SUP  1.00)
 &rst
  ixpk= 930, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1150,1151,1152,
 &end
#
#  72 LEU  HB2    72 LEU  QD2     3.53             (#peak   916 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 916, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1154,1155,1156,
 &end
#
#  72 LEU  HB2    73 PHE  HN      4.70             (#peak   415 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 415, nxpk= 0, iat=1145,1160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  72 LEU  HB3    72 LEU  QD1     3.70             (#peak   934 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 934, nxpk= 0, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1150,1151,1152,
 &end
#
#  72 LEU  HB3    72 LEU  QD2     3.53             (#peak   918 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 918, nxpk= 0, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1154,1155,1156,
 &end
#
#  72 LEU  HB3    73 PHE  HN      4.70             (#peak   416 #SUP  1.00)
 &rst
  ixpk= 416, nxpk= 0, iat=1146,1160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  72 LEU  HN     72 LEU  HB2     4.03             (#peak   403 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 403, nxpk= 0, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  72 LEU  HN     72 LEU  HB3     4.03             (#peak   405 #SUP  1.00)
 &rst
  ixpk= 405, nxpk= 0, iat=1141,1146, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  72 LEU  HN     72 LEU  HG      3.64             (#peak   404 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 404, nxpk= 0, iat=1141,1148, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  72 LEU  HN     72 LEU  QB      3.42             (#peak   403)
 &rst
  ixpk= 403, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1145,1146,
 &end
#
#  72 LEU  HN     72 LEU  QD1     4.06             (#peak   408 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 408, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1150,1151,1152,
 &end
#
#  72 LEU  HN     72 LEU  QD2     3.98             (#peak   407 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 407, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1154,1155,1156,
 &end
#
#  72 LEU  HN     73 PHE  HN      3.79             (#peak   409 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 409, nxpk= 0, iat=1141,1160, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  72 LEU  HN     75 LEU  QD2     5.27             (#peak  1023 #SUP  0.99  #QF  0.23)
 &rst
  ixpk= 1023, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1214,1215,1216,
 &end
#
#  72 LEU  HN    121 MET  QE      3.66             (#peak  1881 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1881, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1978,1979,1980,
 &end
#
#  72 LEU  QB     72 LEU  QD1     3.18             (#peak   930)
 &rst
  ixpk= 930, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1145,1146,
 igr2=1150,1151,1152,
 &end
#
#  72 LEU  QB     72 LEU  QD2     3.05             (#peak   916)
 &rst
  ixpk= 916, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1145,1146,
 igr2=1154,1155,1156,
 &end
#
#  72 LEU  QB     73 PHE  HN      3.99             (#peak   415)
 &rst
  ixpk= 415, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1145,1146,
 &end
#
#  72 LEU  QD1    73 PHE  HN      4.85             (#peak   417 #SUP  0.52  #QF  0.52)
 &rst
  ixpk= 417, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1150,1151,1152,
 &end
#
#  72 LEU  QD1   118 TYR  QE      3.91             (#peak  1855 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1855, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1150,1151,1152,
 igr2=1925,1930,
 &end
#
#  72 LEU  QD1   121 MET  QG      4.51             (#peak   926)
 &rst
  ixpk= 926, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1150,1151,1152,
 igr2=1974,1975,
 &end
#
#  72 LEU  QD2    75 LEU  HN      5.50             (#peak   907 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 907, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1154,1155,1156,
 &end
#
#  72 LEU  QD2    75 LEU  QB      4.13             (#peak   892)
 &rst
  ixpk= 892, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1154,1155,1156,
 igr2=1205,1206,
 &end
#
#  72 LEU  QD2    75 LEU  QD2     3.32             (#peak   919 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 919, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1154,1155,1156,
 igr2=1214,1215,1216,
 &end
#
#  72 LEU  QD2   104 PHE  HZ      5.50             (#peak   910 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 910, nxpk= 0, iat=  -1,1693, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1154,1155,1156,
 &end
#
#  72 LEU  QD2   118 TYR  HA      4.80             (#peak   913 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 913, nxpk= 0, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1154,1155,1156,
 &end
#
#  72 LEU  QD2   118 TYR  QD      4.61             (#peak  1848 #SUP  0.97  #QF  0.25)
 &rst
  ixpk= 1848, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1154,1155,1156,
 igr2=1923,1932,
 &end
#
#  72 LEU  QD2   118 TYR  QE      4.01             (#peak  1854 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1854, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1154,1155,1156,
 igr2=1925,1930,
 &end
#
#  72 LEU  QD2   121 MET  HG2     4.42             (#peak  1904 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1904, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1154,1155,1156,
 &end
#
#  72 LEU  QD2   121 MET  HG3     4.42             (#peak   914 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 914, nxpk= 0, iat=  -1,1975, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1154,1155,1156,
 &end
#
#  72 LEU  QD2   121 MET  QE      2.78             (#peak  1891 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1891, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=1154,1155,1156,
 igr2=1978,1979,1980,
 &end
#
#  72 LEU  QD2   121 MET  QG      3.64             (#peak   914)
 &rst
  ixpk= 914, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1154,1155,1156,
 igr2=1974,1975,
 &end
#
#  73 PHE  HA     73 PHE  QD      4.41             (#peak   955 #SUP  1.00)
 &rst
  ixpk= 955, nxpk= 0, iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1168,1176,
 &end
#
#  73 PHE  HN     73 PHE  QB      3.39             (#peak   413 #SUP  1.00)
 &rst
  ixpk= 413, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1164,1165,
 &end
#
#  73 PHE  HN     74 TYR  HN      3.73             (#peak   418 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 418, nxpk= 0, iat=1160,1180, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  73 PHE  QB     74 TYR  HN      3.60             (#peak   425 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 425, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1164,1165,
 &end
#
#  73 PHE  QD     74 TYR  HA      4.51             (#peak   954 #SUP  0.99  #QF  0.90)
 &rst
  ixpk= 954, nxpk= 0, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1168,1176,
 &end
#
#  73 PHE  QD     74 TYR  HN      4.24             (#peak   422 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 422, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1168,1176,
 &end
#
#  74 TYR  HA     74 TYR  QD      3.69             (#peak   983 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 983, nxpk= 0, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1188,1197,
 &end
#
#  74 TYR  HA     74 TYR  QE      5.27             (#peak  2240 #SUP  0.72  #QF  0.35)
 &rst
  ixpk= 2240, nxpk= 0, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1190,1195,
 &end
#
#  74 TYR  HA     77 GLN  HB2     4.58             (#peak  1047 #SUP  0.92  #QF  0.89)
 &rst
  ixpk= 1047, nxpk= 0, iat=1182,1231, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  74 TYR  HA     77 GLN  HB3     4.58             (#peak  1048 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1048, nxpk= 0, iat=1182,1232, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  74 TYR  HA     77 GLN  HG2     4.80             (#peak   968 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 968, nxpk= 0, iat=1182,1234, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  74 TYR  HA     77 GLN  HG3     4.80             (#peak   969 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 969, nxpk= 0, iat=1182,1235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  74 TYR  HA     77 GLN  HN      4.25             (#peak   452 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 452, nxpk= 0, iat=1182,1227, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  74 TYR  HA     77 GLN  QB      3.84             (#peak  1048)
 &rst
  ixpk= 1048, nxpk= 0, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1231,1232,
 &end
#
#  74 TYR  HA     77 GLN  QG      4.17             (#peak   968)
 &rst
  ixpk= 968, nxpk= 0, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1234,1235,
 &end
#
#  74 TYR  HB2    75 LEU  HN      4.32             (#peak   435 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 435, nxpk= 0, iat=1184,1201, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  74 TYR  HB3    75 LEU  HN      4.46             (#peak   434 #SUP  1.00)
 &rst
  ixpk= 434, nxpk= 0, iat=1185,1201, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  74 TYR  HN     74 TYR  HB2     3.70             (#peak   427 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 427, nxpk= 0, iat=1180,1184, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 TYR  HN     74 TYR  HB3     3.91             (#peak   426 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 426, nxpk= 0, iat=1180,1185, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  74 TYR  HN     74 TYR  QD      3.91             (#peak   420 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 420, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1188,1197,
 &end
#
#  74 TYR  HN     74 TYR  QE      5.13             (#peak   421 #SUP  0.61  #QF  0.37)
 &rst
  ixpk= 421, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1190,1195,
 &end
#
#  74 TYR  HN     75 LEU  HN      3.63             (#peak   419 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 419, nxpk= 0, iat=1180,1201, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  74 TYR  QD     77 GLN  QG      4.48             (#peak  1054)
 &rst
  ixpk= 1054, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1188,1197,
 igr2=1234,1235,
 &end
#
#  75 LEU  HA     75 LEU  QD1     3.17             (#peak  1001 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1001, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1210,1211,1212,
 &end
#
#  75 LEU  HA     75 LEU  QD2     4.08             (#peak  1017 #SUP  1.00)
 &rst
  ixpk= 1017, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1214,1215,1216,
 &end
#
#  75 LEU  HA     78 TYR  HB2     4.43             (#peak  1014 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1014, nxpk= 0, iat=1203,1248, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  75 LEU  HA     78 TYR  HB3     4.43             (#peak  1013 #SUP  1.00)
 &rst
  ixpk= 1013, nxpk= 0, iat=1203,1249, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  75 LEU  HA     78 TYR  HN      3.95             (#peak   465 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 465, nxpk= 0, iat=1203,1244, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  75 LEU  HA     78 TYR  QD      4.85             (#peak  1012 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1012, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1252,1261,
 &end
#
#  75 LEU  HA     79 ILE  HN      4.75             (#peak   476 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 476, nxpk= 0, iat=1203,1265, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  75 LEU  HB2    75 LEU  QD1     3.77             (#peak   901 #SUP  1.00)
 &rst
  ixpk= 901, nxpk= 0, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1210,1211,1212,
 &end
#
#  75 LEU  HB2    75 LEU  QD2     3.66             (#peak   899 #SUP  1.00)
 &rst
  ixpk= 899, nxpk= 0, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1214,1215,1216,
 &end
#
#  75 LEU  HB2    76 GLY  HN      4.26             (#peak   449 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 449, nxpk= 0, iat=1205,1220, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  75 LEU  HB3    75 LEU  QD1     3.77             (#peak  1004 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1004, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1210,1211,1212,
 &end
#
#  75 LEU  HB3    75 LEU  QD2     3.66             (#peak  1028 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1028, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1214,1215,1216,
 &end
#
#  75 LEU  HB3    76 GLY  HN      4.26             (#peak   891 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 891, nxpk= 0, iat=1206,1220, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  75 LEU  HG     76 GLY  HA2     5.15             (#peak   939 #SUP  0.78  #QF  0.54)
 &rst
  ixpk= 939, nxpk= 0, iat=1208,1222, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  75 LEU  HG     79 ILE  QD1     3.60             (#peak  1113 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1113, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1278,1279,1280,
 &end
#
#  75 LEU  HN     75 LEU  HB2     3.59             (#peak   437 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 437, nxpk= 0, iat=1201,1205, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  75 LEU  HN     75 LEU  HB3     3.59             (#peak   436 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 436, nxpk= 0, iat=1201,1206, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  75 LEU  HN     75 LEU  HG      4.65             (#peak   936 #SUP  1.00)
 &rst
  ixpk= 936, nxpk= 0, iat=1201,1208, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  75 LEU  HN     75 LEU  QD1     4.17             (#peak   995 #SUP  1.00)
 &rst
  ixpk= 995, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1210,1211,1212,
 &end
#
#  75 LEU  HN     75 LEU  QD2     4.39             (#peak   438 #SUP  1.00)
 &rst
  ixpk= 438, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1214,1215,1216,
 &end
#
#  75 LEU  HN     76 GLY  HN      3.70             (#peak   429 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 429, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  75 LEU  HN     79 ILE  QD1     5.50             (#peak   440 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 440, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1278,1279,1280,
 &end
#
#  75 LEU  QB     75 LEU  QD1     3.30             (#peak   901)
 &rst
  ixpk= 901, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1205,1206,
 igr2=1210,1211,1212,
 &end
#
#  75 LEU  QB     76 GLY  HN      3.70             (#peak   891)
 &rst
  ixpk= 891, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1205,1206,
 &end
#
#  75 LEU  QB     79 ILE  QD1     4.22             (#peak  1111)
 &rst
  ixpk= 1111, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1205,1206,
 igr2=1278,1279,1280,
 &end
#
#  75 LEU  QD1    76 GLY  HN      4.77             (#peak   997 #SUP  1.00)
 &rst
  ixpk= 997, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1210,1211,1212,
 &end
#
#  75 LEU  QD1    78 TYR  HN      4.81             (#peak   996 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 996, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1210,1211,1212,
 &end
#
#  75 LEU  QD1    78 TYR  QB      3.89             (#peak  1003)
 &rst
  ixpk= 1003, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1210,1211,1212,
 igr2=1248,1249,
 &end
#
#  75 LEU  QD1    78 TYR  QD      4.00             (#peak  1000 #SUP  0.99  #QF  0.97)
 &rst
  ixpk= 1000, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1210,1211,1212,
 igr2=1252,1261,
 &end
#
#  75 LEU  QD1    79 ILE  HG12    4.08             (#peak  1005 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1005, nxpk= 0, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1210,1211,1212,
 &end
#
#  75 LEU  QD1    79 ILE  HN      4.41             (#peak   998 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 998, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1210,1211,1212,
 &end
#
#  75 LEU  QD1   100 LEU  QD1     3.01             (#peak  1007 #SUP  0.85  #QF  0.46)
 &rst
  ixpk= 1007, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1210,1211,1212,
 igr2=1633,1634,1635,
 &end
#
#  75 LEU  QD1   104 PHE  HZ      4.25             (#peak   999 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 999, nxpk= 0, iat=  -1,1693, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1210,1211,1212,
 &end
#
#  75 LEU  QD1   104 PHE  QE      4.44             (#peak  1599 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1599, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1210,1211,1212,
 igr2=1691,1695,
 &end
#
#  75 LEU  QD2    76 GLY  HN      5.47             (#peak  1023 #SUP  0.99  #QF  0.23)
 &rst
  ixpk= 1023, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1=1214,1215,1216,
 &end
#
#  75 LEU  QD2    79 ILE  QD1     3.76             (#peak  1031 #SUP  0.96  #QF  0.91)
 &rst
  ixpk= 1031, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1214,1215,1216,
 igr2=1278,1279,1280,
 &end
#
#  75 LEU  QD2   104 PHE  HZ      3.19             (#peak  1024 #SUP  0.95  #QF  0.37)
 &rst
  ixpk= 1024, nxpk= 0, iat=  -1,1693, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1214,1215,1216,
 &end
#
#  75 LEU  QD2   104 PHE  QE      3.85             (#peak  1025 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1025, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1214,1215,1216,
 igr2=1691,1695,
 &end
#
#  75 LEU  QD2   117 ILE  QG2     4.10             (#peak  1032 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 1032, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1214,1215,1216,
 igr2=1902,1903,1904,
 &end
#
#  75 LEU  QD2   121 MET  QE      2.90             (#peak  1889 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 1889, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1214,1215,1216,
 igr2=1978,1979,1980,
 &end
#
#  76 GLY  HA2    79 ILE  HN      4.62             (#peak   481 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 481, nxpk= 0, iat=1222,1265, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  76 GLY  HA2    79 ILE  QD1     3.95             (#peak  1110 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1110, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1278,1279,1280,
 &end
#
#  76 GLY  HA2    79 ILE  QG2     4.68             (#peak  1130 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1130, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1271,1272,1273,
 &end
#
#  76 GLY  HA3    79 ILE  HB      4.92             (#peak  1101 #SUP  0.52  #QF  0.52)
 &rst
  ixpk= 1101, nxpk= 0, iat=1223,1269, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  76 GLY  HA3    79 ILE  HN      4.96             (#peak   480 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 480, nxpk= 0, iat=1223,1265, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  76 GLY  HA3    79 ILE  QD1     4.52             (#peak  1109 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1109, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1278,1279,1280,
 &end
#
#  76 GLY  HN     77 GLN  HN      3.76             (#peak   451 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 451, nxpk= 0, iat=1220,1227, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  77 GLN  HA     80 MET  HN      4.49             (#peak   490 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 490, nxpk= 0, iat=1229,1284, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  77 GLN  HA     80 MET  QB      3.95             (#peak  1152 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1152, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1288,1289,
 &end
#
#  77 GLN  HA     80 MET  QE      3.63             (#peak  1172 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1172, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1295,1296,1297,
 &end
#
#  77 GLN  HA     81 THR  HN      4.64             (#peak  1037 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1037, nxpk= 0, iat=1229,1301, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  77 GLN  HB2    78 TYR  HN      4.30             (#peak   468 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 468, nxpk= 0, iat=1231,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  77 GLN  HB3    78 TYR  HN      4.30             (#peak   467 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 467, nxpk= 0, iat=1232,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  77 GLN  HN     77 GLN  HB2     3.78             (#peak   456 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 456, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  77 GLN  HN     77 GLN  HB3     3.78             (#peak   457 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 457, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  77 GLN  HN     77 GLN  HG2     3.99             (#peak  1052 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1052, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  77 GLN  HN     77 GLN  HG3     3.99             (#peak   459 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 459, nxpk= 0, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  77 GLN  HN     77 GLN  QG      3.46             (#peak   459)
 &rst
  ixpk= 459, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1234,1235,
 &end
#
#  77 GLN  HN     78 TYR  HN      3.66             (#peak   460 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 460, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  77 GLN  HN     80 MET  QE      4.87             (#peak  1166 #SUP  0.87  #QF  0.22)
 &rst
  ixpk= 1166, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1295,1296,1297,
 &end
#
#  77 GLN  QB     78 TYR  HN      3.63             (#peak   467)
 &rst
  ixpk= 467, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1231,1232,
 &end
#
#  78 TYR  HA     78 TYR  QD      4.03             (#peak  1074 #SUP  1.00)
 &rst
  ixpk= 1074, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1252,1261,
 &end
#
#  78 TYR  HA     81 THR  HB      4.29             (#peak  1187 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1187, nxpk= 0, iat=1246,1305, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  78 TYR  HA     81 THR  HN      4.58             (#peak   502 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 502, nxpk= 0, iat=1246,1301, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  78 TYR  HA     81 THR  QG2     4.04             (#peak  1075 #SUP  1.00  #QF  0.40)
 &rst
  ixpk= 1075, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1307,1308,1309,
 &end
#
#  78 TYR  HB2    79 ILE  HN      4.35             (#peak  1061 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1061, nxpk= 0, iat=1248,1265, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  78 TYR  HB3    79 ILE  HN      4.35             (#peak   477 #SUP  1.00)
 &rst
  ixpk= 477, nxpk= 0, iat=1249,1265, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  78 TYR  HN     78 TYR  HB2     3.66             (#peak   466 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 466, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  78 TYR  HN     78 TYR  HB3     3.66             (#peak   464 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 464, nxpk= 0, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  78 TYR  HN     78 TYR  QD      4.36             (#peak   462 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 462, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1252,1261,
 &end
#
#  78 TYR  HN     79 ILE  HG13    4.54             (#peak   471 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 471, nxpk= 0, iat=1244,1276, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  78 TYR  HN     79 ILE  HN      3.79             (#peak   461 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 461, nxpk= 0, iat=1244,1265, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  78 TYR  HN     81 THR  QG2     4.63             (#peak   469 #SUP  0.97  #QF  0.94)
 &rst
  ixpk= 469, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1307,1308,1309,
 &end
#
#  78 TYR  QB     79 ILE  HN      3.81             (#peak   477)
 &rst
  ixpk= 477, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1248,1249,
 &end
#
#  78 TYR  QD     79 ILE  HA      4.22             (#peak  1092 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1092, nxpk= 0, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1252,1261,
 &end
#
#  78 TYR  QD     79 ILE  HB      5.50             (#peak  1082 #SUP  0.91  #QF  0.32)
 &rst
  ixpk= 1082, nxpk= 0, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1252,1261,
 &end
#
#  78 TYR  QD     79 ILE  HG12    4.36             (#peak  2262 #SUP  0.92  #QF  0.89)
 &rst
  ixpk= 2262, nxpk= 0, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1252,1261,
 &end
#
#  78 TYR  QD     79 ILE  HG13    4.17             (#peak  1087 #SUP  0.98  #QF  0.89)
 &rst
  ixpk= 1087, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1252,1261,
 &end
#
#  78 TYR  QD     79 ILE  HN      4.21             (#peak   475 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 475, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1252,1261,
 &end
#
#  78 TYR  QD     80 MET  HN      5.50             (#peak   487 #SUP  0.98  #QF  0.91)
 &rst
  ixpk= 487, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1252,1261,
 &end
#
#  78 TYR  QD     81 THR  QG2     4.40             (#peak  1083 #SUP  0.96  #QF  0.77)
 &rst
  ixpk= 1083, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1252,1261,
 igr2=1307,1308,1309,
 &end
#
#  78 TYR  QD     82 LYS+ QG      4.99             (#peak  1085)
 &rst
  ixpk= 1085, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1252,1261,
 igr2=1322,1323,
 &end
#
#  78 TYR  QD     84 LEU  QD1     4.01             (#peak  1086 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1086, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1252,1261,
 igr2=1370,1371,1372,
 &end
#
#  78 TYR  QD     84 LEU  QD2     5.44             (#peak  1258 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1258, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1252,1261,
 igr2=1374,1375,1376,
 &end
#
#  78 TYR  QD    100 LEU  QD1     4.55             (#peak  1087 #SUP  0.98  #QF  0.89)
 &rst
  ixpk= 1087, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1252,1261,
 igr2=1633,1634,1635,
 &end
#
#  78 TYR  QE     82 LYS+ QD      3.97             (#peak  1236)
 &rst
  ixpk= 1236, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1254,1259,
 igr2=1325,1326,
 &end
#
#  78 TYR  QE     82 LYS+ QE      3.89             (#peak  1219 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1219, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1254,1259,
 igr2=1328,1329,
 &end
#
#  78 TYR  QE     84 LEU  QD1     3.53             (#peak  2239 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 2239, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1254,1259,
 igr2=1370,1371,1372,
 &end
#
#  78 TYR  QE     99 LEU  QD2     4.52             (#peak  2271 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 2271, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1254,1259,
 igr2=1618,1619,1620,
 &end
#
#  78 TYR  QE    100 LEU  QB      4.16             (#peak  1515 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1515, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1254,1259,
 igr2=1628,1629,
 &end
#
#  79 ILE  HA     79 ILE  HG12    4.18             (#peak  1093 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1093, nxpk= 0, iat=1267,1275, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  79 ILE  HA     79 ILE  HG13    3.50             (#peak  1096 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1096, nxpk= 0, iat=1267,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  79 ILE  HA     79 ILE  QD1     4.07             (#peak  1108 #SUP  1.00)
 &rst
  ixpk= 1108, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1278,1279,1280,
 &end
#
#  79 ILE  HA     79 ILE  QG2     3.36             (#peak  1128 #SUP  1.00)
 &rst
  ixpk= 1128, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1271,1272,1273,
 &end
#
#  79 ILE  HA     82 LYS+ HN      4.71             (#peak   510 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 510, nxpk= 0, iat=1267,1315, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  79 ILE  HA     82 LYS+ QB      4.32             (#peak  1094)
 &rst
  ixpk= 1094, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1319,1320,
 &end
#
#  79 ILE  HA     84 LEU  HG      4.51             (#peak  1282 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1282, nxpk= 0, iat=1267,1368, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  79 ILE  HA     84 LEU  HN      4.75             (#peak  1091 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1091, nxpk= 0, iat=1267,1361, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  79 ILE  HA     84 LEU  QB      3.89             (#peak  1095)
 &rst
  ixpk= 1095, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1365,1366,
 &end
#
#  79 ILE  HA     84 LEU  QD1     3.55             (#peak  1288 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1288, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1370,1371,1372,
 &end
#
#  79 ILE  HA     84 LEU  QD2     4.49             (#peak  1261 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1261, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1374,1375,1376,
 &end
#
#  79 ILE  HA     93 VAL  QQG     4.61             (#peak  1451)
 &rst
  ixpk= 1451, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  79 ILE  HA    100 LEU  QD2     4.49             (#peak  1524 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 1524, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1637,1638,1639,
 &end
#
#  79 ILE  HB     79 ILE  QD1     3.39             (#peak  1114 #SUP  1.00)
 &rst
  ixpk= 1114, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1278,1279,1280,
 &end
#
#  79 ILE  HB     80 MET  HN      3.76             (#peak   494 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 494, nxpk= 0, iat=1269,1284, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  79 ILE  HB     93 VAL  QQG     5.17             (#peak  2337)
 &rst
  ixpk= 2337, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  79 ILE  HG12   93 VAL  QG1     5.09             (#peak  2002 #SUP  0.96  #QF  0.85)
 &rst
  ixpk= 2002, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1526,1527,1528,
 &end
#
#  79 ILE  HG12   93 VAL  QG2     5.09             (#peak  1454 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1454, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1530,1531,1532,
 &end
#
#  79 ILE  HG12   93 VAL  QQG     3.98             (#peak  1454)
 &rst
  ixpk= 1454, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  79 ILE  HG13   80 MET  HN      4.73             (#peak   496 #SUP  0.95  #QF  0.93)
 &rst
  ixpk= 496, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  79 ILE  HN     79 ILE  HB      3.71             (#peak   483 #SUP  1.00)
 &rst
  ixpk= 483, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  79 ILE  HN     79 ILE  HG12    3.87             (#peak   482 #SUP  1.00)
 &rst
  ixpk= 482, nxpk= 0, iat=1265,1275, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  79 ILE  HN     79 ILE  HG13    3.75             (#peak   484 #SUP  1.00)
 &rst
  ixpk= 484, nxpk= 0, iat=1265,1276, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  79 ILE  HN     79 ILE  QD1     3.67             (#peak  1105 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1105, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1278,1279,1280,
 &end
#
#  79 ILE  HN     79 ILE  QG2     3.87             (#peak  1121 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1121, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1271,1272,1273,
 &end
#
#  79 ILE  HN     80 MET  HN      3.70             (#peak   486 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 486, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  79 ILE  QD1    80 MET  HN      4.97             (#peak  1119 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1119, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1278,1279,1280,
 &end
#
#  79 ILE  QD1    93 VAL  QQG     3.43             (#peak  1457)
 &rst
  ixpk= 1457, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1278,1279,1280,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  79 ILE  QD1   104 PHE  HZ      4.71             (#peak  1605 #SUP  0.92  #QF  0.75)
 &rst
  ixpk= 1605, nxpk= 0, iat=  -1,1693, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1278,1279,1280,
 &end
#
#  79 ILE  QD1   104 PHE  QE      3.53             (#peak  1107 #SUP  0.76  #QF  0.54)
 &rst
  ixpk= 1107, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1278,1279,1280,
 igr2=1691,1695,
 &end
#
#  79 ILE  QD1   109 PHE  HZ      3.78             (#peak  1107 #SUP  0.76  #QF  0.54)
 &rst
  ixpk= 1107, nxpk= 0, iat=  -1,1761, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1278,1279,1280,
 &end
#
#  79 ILE  QD1   111 VAL  QG2     4.93             (#peak  1743 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1743, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1=1278,1279,1280,
 igr2=1790,1791,1792,
 &end
#
#  79 ILE  QG2    79 ILE  HG12    3.71             (#peak  1131 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1131, nxpk= 0, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    79 ILE  HG13    4.11             (#peak  2264 #SUP  1.00)
 &rst
  ixpk= 2264, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    79 ILE  QD1     2.81             (#peak  1134 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1134, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1271,1272,1273,
 igr2=1278,1279,1280,
 &end
#
#  79 ILE  QG2    80 MET  HA      4.48             (#peak  1127 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1127, nxpk= 0, iat=  -1,1286, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    80 MET  HN      3.96             (#peak  1120 #SUP  1.00)
 &rst
  ixpk= 1120, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    84 LEU  HA      5.03             (#peak  1126 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1126, nxpk= 0, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    84 LEU  HB2     3.72             (#peak  1133 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1133, nxpk= 0, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    84 LEU  HB3     3.72             (#peak  1129 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1129, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    84 LEU  HN      3.84             (#peak  1122 #SUP  1.00)
 &rst
  ixpk= 1122, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    84 LEU  QB      3.15             (#peak  1133)
 &rst
  ixpk= 1133, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1271,1272,1273,
 igr2=1365,1366,
 &end
#
#  79 ILE  QG2    84 LEU  QD1     3.67             (#peak  1294 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1294, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1271,1272,1273,
 igr2=1370,1371,1372,
 &end
#
#  79 ILE  QG2    84 LEU  QD2     4.52             (#peak  1267 #SUP  0.84  #QF  0.77)
 &rst
  ixpk= 1267, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1271,1272,1273,
 igr2=1374,1375,1376,
 &end
#
#  79 ILE  QG2    85 TYR  HA      5.01             (#peak  1136 #SUP  1.00)
 &rst
  ixpk= 1136, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    85 TYR  HN      3.89             (#peak  1125 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1125, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2    85 TYR  QB      4.60             (#peak  1308)
 &rst
  ixpk= 1308, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1271,1272,1273,
 igr2=1384,1385,
 &end
#
#  79 ILE  QG2    85 TYR  QD      3.74             (#peak  1124 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1124, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1271,1272,1273,
 igr2=1388,1397,
 &end
#
#  79 ILE  QG2    85 TYR  QE      5.31             (#peak  1329 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1329, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=1271,1272,1273,
 igr2=1390,1395,
 &end
#
#  79 ILE  QG2    93 VAL  QQG     3.18             (#peak  1135)
 &rst
  ixpk= 1135, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1271,1272,1273,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  79 ILE  QG2   109 PHE  HZ      5.32             (#peak  1123 #SUP  0.99  #QF  0.75)
 &rst
  ixpk= 1123, nxpk= 0, iat=  -1,1761, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1271,1272,1273,
 &end
#
#  79 ILE  QG2   109 PHE  QE      5.50             (#peak  2160 #SUP  0.96  #QF  0.82)
 &rst
  ixpk= 2160, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1271,1272,1273,
 igr2=1759,1763,
 &end
#
#  80 MET  HA     80 MET  HG2     3.91             (#peak  1156 #SUP  1.00)
 &rst
  ixpk= 1156, nxpk= 0, iat=1286,1291, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  80 MET  HA     80 MET  HG3     3.91             (#peak  1163 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1163, nxpk= 0, iat=1286,1292, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  80 MET  HA     80 MET  QE      4.44             (#peak  1171 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1171, nxpk= 0, iat=1286,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1295,1296,1297,
 &end
#
#  80 MET  HA     83 ARG+ HA      4.62             (#peak  1244 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1244, nxpk= 0, iat=1286,1339, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  80 MET  HA     83 ARG+ HN      4.34             (#peak   518 #SUP  0.74  #QF  0.27)
 &rst
  ixpk= 518, nxpk= 0, iat=1286,1337, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  80 MET  HA     85 TYR  QD      4.30             (#peak  1145 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1145, nxpk= 0, iat=1286,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1388,1397,
 &end
#
#  80 MET  HA     85 TYR  QE      3.48             (#peak  1144 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1144, nxpk= 0, iat=1286,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1390,1395,
 &end
#
#  80 MET  HG2    80 MET  QE      3.79             (#peak  1174 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1174, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1295,1296,1297,
 &end
#
#  80 MET  HG2    85 TYR  QE      4.60             (#peak  1324 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1324, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1390,1395,
 &end
#
#  80 MET  HG3    80 MET  QE      3.79             (#peak  1175 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1175, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1295,1296,1297,
 &end
#
#  80 MET  HG3    85 TYR  QE      4.60             (#peak  1162 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1162, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1390,1395,
 &end
#
#  80 MET  HN     80 MET  HG2     4.61             (#peak  1158 #SUP  1.00)
 &rst
  ixpk= 1158, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  80 MET  HN     80 MET  HG3     4.61             (#peak  1161 #SUP  1.00)
 &rst
  ixpk= 1161, nxpk= 0, iat=1284,1292, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  80 MET  HN     80 MET  QB      3.33             (#peak   493 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 493, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1288,1289,
 &end
#
#  80 MET  HN     80 MET  QE      5.08             (#peak  1166 #SUP  0.87  #QF  0.22)
 &rst
  ixpk= 1166, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1295,1296,1297,
 &end
#
#  80 MET  HN     81 THR  HN      3.20             (#peak   569 #SUP  0.96  #QF  0.24)
 &rst
  ixpk= 569, nxpk= 0, iat=1284,1301, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  80 MET  HN     81 THR  QG2     4.65             (#peak   495 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 495, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1307,1308,1309,
 &end
#
#  80 MET  HN     85 TYR  QE      5.50             (#peak   487 #SUP  0.98  #QF  0.91)
 &rst
  ixpk= 487, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1390,1395,
 &end
#
#  80 MET  QB     80 MET  QE      3.17             (#peak  1176 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1176, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1288,1289,
 igr2=1295,1296,1297,
 &end
#
#  80 MET  QB     81 THR  HN      3.76             (#peak   504 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 504, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1288,1289,
 &end
#
#  80 MET  QB     81 THR  QG2     4.34             (#peak  1183 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 1183, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1288,1289,
 igr2=1307,1308,1309,
 &end
#
#  80 MET  QB     85 TYR  QE      4.52             (#peak  1326 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1326, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1288,1289,
 igr2=1390,1395,
 &end
#
#  80 MET  QG     80 MET  QE      3.26             (#peak  1175)
 &rst
  ixpk= 1175, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1291,1292,
 igr2=1295,1296,1297,
 &end
#
#  80 MET  QG     85 TYR  QE      3.90             (#peak  1162)
 &rst
  ixpk= 1162, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1291,1292,
 igr2=1390,1395,
 &end
#
#  81 THR  HA     81 THR  QG2     3.24             (#peak  1192 #SUP  1.00)
 &rst
  ixpk= 1192, nxpk= 0, iat=1303,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1307,1308,1309,
 &end
#
#  81 THR  HA     83 ARG+ HN      4.79             (#peak   518 #SUP  0.74  #QF  0.27)
 &rst
  ixpk= 518, nxpk= 0, iat=1303,1337, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  81 THR  HB     82 LYS+ HN      4.02             (#peak  1185 #SUP  1.00)
 &rst
  ixpk= 1185, nxpk= 0, iat=1305,1315, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  81 THR  HN     81 THR  HB      3.52             (#peak   500 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 500, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  81 THR  HN     81 THR  QG2     3.43             (#peak  1177 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1177, nxpk= 0, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1307,1308,1309,
 &end
#
#  81 THR  HN     82 LYS+ HN      3.54             (#peak   508 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 508, nxpk= 0, iat=1301,1315, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  81 THR  QG2    82 LYS+ HN      3.32             (#peak   513 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 513, nxpk= 0, iat=  -1,1315, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1307,1308,1309,
 &end
#
#  81 THR  QG2    82 LYS+ QE      4.91             (#peak  1182 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 1182, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1307,1308,1309,
 igr2=1328,1329,
 &end
#
#  81 THR  QG2    83 ARG+ HN      4.70             (#peak   522 #SUP  1.00  #QF  0.78)
 &rst
  ixpk= 522, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1307,1308,1309,
 &end
#
#  82 LYS+ HA     82 LYS+ HD2     4.06             (#peak  1226 #SUP  1.00)
 &rst
  ixpk= 1226, nxpk= 0, iat=1317,1325, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  82 LYS+ HA     82 LYS+ HD3     4.06             (#peak  1228 #SUP  1.00)
 &rst
  ixpk= 1228, nxpk= 0, iat=1317,1326, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  82 LYS+ HA     82 LYS+ HG2     3.91             (#peak  1199 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1199, nxpk= 0, iat=1317,1322, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  82 LYS+ HA     82 LYS+ HG3     3.91             (#peak  1215 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1215, nxpk= 0, iat=1317,1323, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  82 LYS+ HA     82 LYS+ QD      3.55             (#peak  1226)
 &rst
  ixpk= 1226, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1325,1326,
 &end
#
#  82 LYS+ HA     82 LYS+ QE      4.19             (#peak  1220 #SUP  1.00)
 &rst
  ixpk= 1220, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1328,1329,
 &end
#
#  82 LYS+ HA     82 LYS+ QG      3.35             (#peak  1199)
 &rst
  ixpk= 1199, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1322,1323,
 &end
#
#  82 LYS+ HA     84 LEU  QD2     4.36             (#peak  1200 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1200, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1374,1375,1376,
 &end
#
#  82 LYS+ HB2    82 LYS+ QE      3.49             (#peak  1225 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1225, nxpk= 0, iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1328,1329,
 &end
#
#  82 LYS+ HB2    84 LEU  QD2     3.47             (#peak  1265 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1265, nxpk= 0, iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1374,1375,1376,
 &end
#
#  82 LYS+ HB3    82 LYS+ QE      3.49             (#peak  1224 #SUP  0.99  #QF  0.78)
 &rst
  ixpk= 1224, nxpk= 0, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1328,1329,
 &end
#
#  82 LYS+ HB3    84 LEU  QD2     3.47             (#peak  1266 #SUP  0.84  #QF  0.55)
 &rst
  ixpk= 1266, nxpk= 0, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1374,1375,1376,
 &end
#
#  82 LYS+ HG2    82 LYS+ QE      3.49             (#peak  1222 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1222, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1328,1329,
 &end
#
#  82 LYS+ HG3    82 LYS+ QE      3.49             (#peak   594 #SUP  0.21  #QF  0.21)
 &rst
  ixpk= 594, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1328,1329,
 &end
#
#  82 LYS+ HN     82 LYS+ HB2     3.92             (#peak   512 #SUP  1.00)
 &rst
  ixpk= 512, nxpk= 0, iat=1315,1319, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  82 LYS+ HN     82 LYS+ HB3     3.92             (#peak  1204 #SUP  1.00)
 &rst
  ixpk= 1204, nxpk= 0, iat=1315,1320, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  82 LYS+ HN     82 LYS+ HD2     4.94             (#peak  1237 #SUP  1.00)
 &rst
  ixpk= 1237, nxpk= 0, iat=1315,1325, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  82 LYS+ HN     82 LYS+ HD3     4.94             (#peak  1238 #SUP  1.00)
 &rst
  ixpk= 1238, nxpk= 0, iat=1315,1326, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  82 LYS+ HN     82 LYS+ HG2     3.90             (#peak   515 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 515, nxpk= 0, iat=1315,1322, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  82 LYS+ HN     82 LYS+ HG3     3.90             (#peak  1213 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1213, nxpk= 0, iat=1315,1323, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  82 LYS+ HN     82 LYS+ QD      4.28             (#peak  1237)
 &rst
  ixpk= 1237, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1325,1326,
 &end
#
#  82 LYS+ HN     82 LYS+ QE      4.92             (#peak  1218 #SUP  1.00)
 &rst
  ixpk= 1218, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1328,1329,
 &end
#
#  82 LYS+ HN     83 ARG+ HA      4.93             (#peak   509 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 509, nxpk= 0, iat=1315,1339, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  82 LYS+ HN     83 ARG+ HN      3.39             (#peak   517 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 517, nxpk= 0, iat=1315,1337, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  82 LYS+ HN     84 LEU  QD1     4.99             (#peak  1285 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1285, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1370,1371,1372,
 &end
#
#  82 LYS+ QB     82 LYS+ QE      3.03             (#peak  1224)
 &rst
  ixpk= 1224, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1319,1320,
 igr2=1328,1329,
 &end
#
#  82 LYS+ QB     84 LEU  QD1     3.61             (#peak  1292)
 &rst
  ixpk= 1292, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1319,1320,
 igr2=1370,1371,1372,
 &end
#
#  82 LYS+ QB     84 LEU  QD2     2.88             (#peak  1266)
 &rst
  ixpk= 1266, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1319,1320,
 igr2=1374,1375,1376,
 &end
#
#  82 LYS+ QE     84 LEU  QD1     4.60             (#peak  1289 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1289, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1328,1329,
 igr2=1370,1371,1372,
 &end
#
#  82 LYS+ QE     84 LEU  QD2     3.73             (#peak  1221 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1221, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1328,1329,
 igr2=1374,1375,1376,
 &end
#
#  82 LYS+ QG     82 LYS+ QE      3.02             (#peak   594)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1322,1323,
 igr2=1328,1329,
 &end
#
#  83 ARG+ HA     83 ARG+ QG      3.74             (#peak  1249 #SUP  1.00)
 &rst
  ixpk= 1249, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1344,1345,
 &end
#
#  83 ARG+ HA     85 TYR  HN      3.91             (#peak   535 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 535, nxpk= 0, iat=1339,1380, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  83 ARG+ HA     85 TYR  QD      4.57             (#peak  1314 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 1314, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1388,1397,
 &end
#
#  83 ARG+ HA     85 TYR  QE      4.12             (#peak  1322 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1322, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1390,1395,
 &end
#
#  83 ARG+ HN     83 ARG+ QB      3.78             (#peak   520 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 520, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1341,1342,
 &end
#
#  83 ARG+ HN     83 ARG+ QD      5.34             (#peak  1256)
 &rst
  ixpk= 1256, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1347,1348,
 &end
#
#  83 ARG+ HN     83 ARG+ QG      3.72             (#peak   521 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 521, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1344,1345,
 &end
#
#  83 ARG+ HN     84 LEU  HN      3.67             (#peak   516 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 516, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  83 ARG+ HN     85 TYR  HN      4.85             (#peak   544 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 544, nxpk= 0, iat=1337,1380, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  83 ARG+ QB     83 ARG+ QD      3.33             (#peak  1255)
 &rst
  ixpk= 1255, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1341,1342,
 igr2=1347,1348,
 &end
#
#  83 ARG+ QB     84 LEU  QD2     5.03             (#peak  1264 #SUP  0.80  #QF  0.37)
 &rst
  ixpk= 1264, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1341,1342,
 igr2=1374,1375,1376,
 &end
#
#  83 ARG+ QB     85 TYR  QE      4.78             (#peak  1328 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 1328, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1341,1342,
 igr2=1390,1395,
 &end
#
#  83 ARG+ QD     85 TYR  QE      5.09             (#peak  1323)
 &rst
  ixpk= 1323, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1347,1348,
 igr2=1390,1395,
 &end
#
#  83 ARG+ QG     85 TYR  HN      5.50             (#peak   540 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 540, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1344,1345,
 &end
#
#  84 LEU  HA     84 LEU  QD1     4.18             (#peak  1287 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1287, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1370,1371,1372,
 &end
#
#  84 LEU  HA     84 LEU  QD2     2.90             (#peak  1259 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1259, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1374,1375,1376,
 &end
#
#  84 LEU  HB2    84 LEU  QD1     3.43             (#peak  1293 #SUP  0.96  #QF  0.80)
 &rst
  ixpk= 1293, nxpk= 0, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1370,1371,1372,
 &end
#
#  84 LEU  HB2    84 LEU  QD2     3.71             (#peak  1274 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1274, nxpk= 0, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1374,1375,1376,
 &end
#
#  84 LEU  HB2    85 TYR  HN      4.46             (#peak   539 #SUP  0.90  #QF  0.76)
 &rst
  ixpk= 539, nxpk= 0, iat=1365,1380, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  84 LEU  HB3    84 LEU  QD1     3.43             (#peak  1290 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1290, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1370,1371,1372,
 &end
#
#  84 LEU  HB3    84 LEU  QD2     3.71             (#peak  1263 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1263, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1374,1375,1376,
 &end
#
#  84 LEU  HB3    85 TYR  HN      4.46             (#peak   538 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 538, nxpk= 0, iat=1366,1380, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  84 LEU  HN     84 LEU  HG      4.11             (#peak  1283 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1283, nxpk= 0, iat=1361,1368, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  84 LEU  HN     84 LEU  QB      3.38             (#peak   528)
 &rst
  ixpk= 528, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1365,1366,
 &end
#
#  84 LEU  HN     84 LEU  QD1     3.79             (#peak  1284 #SUP  1.00)
 &rst
  ixpk= 1284, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1370,1371,1372,
 &end
#
#  84 LEU  HN     84 LEU  QD2     3.72             (#peak  1257 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1257, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1374,1375,1376,
 &end
#
#  84 LEU  HN     85 TYR  HN      3.44             (#peak   543 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 543, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  84 LEU  QB     84 LEU  QD1     2.85             (#peak  1293)
 &rst
  ixpk= 1293, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1365,1366,
 igr2=1370,1371,1372,
 &end
#
#  84 LEU  QB     84 LEU  QD2     3.11             (#peak  1263)
 &rst
  ixpk= 1263, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1365,1366,
 igr2=1374,1375,1376,
 &end
#
#  84 LEU  QB     93 VAL  QQG     3.37             (#peak  1455)
 &rst
  ixpk= 1455, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1365,1366,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  84 LEU  QB     94 TYR  HN      4.57             (#peak   616)
 &rst
  ixpk= 616, nxpk= 0, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1365,1366,
 &end
#
#  84 LEU  QD1   100 LEU  HN      5.12             (#peak   638 #SUP  0.98  #QF  0.24)
 &rst
  ixpk= 638, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1370,1371,1372,
 &end
#
#  84 LEU  QD1   100 LEU  QB      4.03             (#peak  1291 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 1291, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1370,1371,1372,
 igr2=1628,1629,
 &end
#
#  84 LEU  QD2    85 TYR  HN      4.77             (#peak   541 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 541, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1374,1375,1376,
 &end
#
#  84 LEU  QD2    93 VAL  QQG     4.84             (#peak  1267)
 &rst
  ixpk= 1267, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1374,1375,1376,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  84 LEU  QD2    94 TYR  HN      5.20             (#peak   619 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 619, nxpk= 0, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1374,1375,1376,
 &end
#
#  84 LEU  QD2   100 LEU  QB      5.27             (#peak  1264 #SUP  0.80  #QF  0.37)
 &rst
  ixpk= 1264, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1374,1375,1376,
 igr2=1628,1629,
 &end
#
#  85 TYR  HA     86 ASP- HN      3.47             (#peak   548 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 548, nxpk= 0, iat=1382,1401, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  85 TYR  HA     93 VAL  HA      3.92             (#peak  1466 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1466, nxpk= 0, iat=1382,1522, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  85 TYR  HA     93 VAL  QG1     4.69             (#peak  1999 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1999, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1526,1527,1528,
 &end
#
#  85 TYR  HA     93 VAL  QG2     4.69             (#peak  1449 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1449, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1530,1531,1532,
 &end
#
#  85 TYR  HA     93 VAL  QQG     3.83             (#peak  1999)
 &rst
  ixpk= 1999, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  85 TYR  HA     94 TYR  HN      3.94             (#peak   611 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 611, nxpk= 0, iat=1382,1536, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  85 TYR  HB2    86 ASP- HN      4.27             (#peak   556 #SUP  1.00)
 &rst
  ixpk= 556, nxpk= 0, iat=1384,1401, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  85 TYR  HB3    86 ASP- HN      4.27             (#peak   554 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 554, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  85 TYR  HN     85 TYR  HB2     4.04             (#peak   537 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 537, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  85 TYR  HN     85 TYR  HB3     4.04             (#peak   536 #SUP  1.00)
 &rst
  ixpk= 536, nxpk= 0, iat=1380,1385, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  85 TYR  HN     85 TYR  QD      3.37             (#peak   531 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 531, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1388,1397,
 &end
#
#  85 TYR  HN     85 TYR  QE      4.49             (#peak   532 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 532, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1390,1395,
 &end
#
#  85 TYR  HN     86 ASP- HN      4.76             (#peak   545 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 545, nxpk= 0, iat=1380,1401, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  85 TYR  HN     93 VAL  HA      4.81             (#peak   547 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 547, nxpk= 0, iat=1380,1522, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  85 TYR  HN     93 VAL  QQG     4.66             (#peak   546)
 &rst
  ixpk= 546, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  85 TYR  QB     86 ASP- HN      3.73             (#peak   554)
 &rst
  ixpk= 554, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1384,1385,
 &end
#
#  85 TYR  QB     93 VAL  QQG     3.87             (#peak  2003)
 &rst
  ixpk= 2003, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1384,1385,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  85 TYR  QD     86 ASP- HN      4.47             (#peak   552 #SUP  1.00)
 &rst
  ixpk= 552, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1388,1397,
 &end
#
#  85 TYR  QD     87 GLU- HA      4.36             (#peak  1347 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1347, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1388,1397,
 &end
#
#  85 TYR  QE     87 GLU- HA      4.60             (#peak  1320 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1320, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1390,1395,
 &end
#
#  86 ASP- HA     87 GLU- HA      4.63             (#peak  1348 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1348, nxpk= 0, iat=1403,1415, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  86 ASP- HA     87 GLU- HB3     4.84             (#peak  1333 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1333, nxpk= 0, iat=1403,1418, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  86 ASP- HA     87 GLU- HN      3.04             (#peak   561 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 561, nxpk= 0, iat=1403,1413, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  86 ASP- HA     87 GLU- QG      4.64             (#peak  1362 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1362, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1420,1421,
 &end
#
#  86 ASP- HA     94 TYR  QE      4.32             (#peak  1484 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1484, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1546,1551,
 &end
#
#  86 ASP- HB2    89 GLN  HN      4.05             (#peak   582 #SUP  0.91  #QF  0.64)
 &rst
  ixpk= 582, nxpk= 0, iat=1405,1450, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  86 ASP- HB2    92 ILE  HB      4.50             (#peak  1337 #SUP  1.00)
 &rst
  ixpk= 1337, nxpk= 0, iat=1405,1505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  86 ASP- HB2    92 ILE  HN      5.50             (#peak   596 #SUP  0.75  #QF  0.68)
 &rst
  ixpk= 596, nxpk= 0, iat=1405,1501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  86 ASP- HB2    92 ILE  QG2     4.72             (#peak  1338 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1338, nxpk= 0, iat=1405,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1507,1508,1509,
 &end
#
#  86 ASP- HB2    94 TYR  QE      4.50             (#peak  1486 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1486, nxpk= 0, iat=1405,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1546,1551,
 &end
#
#  86 ASP- HB3    89 GLN  HN      4.05             (#peak   581 #SUP  0.34  #QF  0.34)
 &rst
  ixpk= 581, nxpk= 0, iat=1406,1450, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  86 ASP- HB3    92 ILE  HB      4.50             (#peak  1437 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1437, nxpk= 0, iat=1406,1505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  86 ASP- HB3    92 ILE  HN      5.50             (#peak   595 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 595, nxpk= 0, iat=1406,1501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  86 ASP- HB3    92 ILE  QG2     4.72             (#peak  1424 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1424, nxpk= 0, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1507,1508,1509,
 &end
#
#  86 ASP- HB3    94 TYR  QE      4.50             (#peak  1485 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 1485, nxpk= 0, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1546,1551,
 &end
#
#  86 ASP- HN     86 ASP- HB2     3.68             (#peak   555 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 555, nxpk= 0, iat=1401,1405, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  86 ASP- HN     86 ASP- HB3     3.68             (#peak   551 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 551, nxpk= 0, iat=1401,1406, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  86 ASP- HN     92 ILE  HB      4.37             (#peak   557 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 557, nxpk= 0, iat=1401,1505, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  86 ASP- HN     92 ILE  HN      4.89             (#peak   590 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 590, nxpk= 0, iat=1401,1501, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  86 ASP- HN     92 ILE  QD1     5.50             (#peak  1415 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1415, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1514,1515,1516,
 &end
#
#  86 ASP- HN     92 ILE  QG2     4.57             (#peak   559 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 559, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1507,1508,1509,
 &end
#
#  86 ASP- HN     93 VAL  HA      4.24             (#peak   550 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 550, nxpk= 0, iat=1401,1522, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  86 ASP- HN     93 VAL  QQG     5.44             (#peak   558)
 &rst
  ixpk= 558, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  86 ASP- HN     94 TYR  HN      4.77             (#peak   608 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 608, nxpk= 0, iat=1401,1536, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  86 ASP- HN     94 TYR  QE      4.29             (#peak  1483 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1483, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1546,1551,
 &end
#
#  86 ASP- QB     92 ILE  HB      3.88             (#peak  1437)
 &rst
  ixpk= 1437, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1405,1406,
 &end
#
#  86 ASP- QB     92 ILE  QD1     4.65             (#peak  1407)
 &rst
  ixpk= 1407, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1405,1406,
 igr2=1514,1515,1516,
 &end
#
#  86 ASP- QB     92 ILE  QG2     4.04             (#peak  1424)
 &rst
  ixpk= 1424, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1405,1406,
 igr2=1507,1508,1509,
 &end
#
#  86 ASP- QB     94 TYR  QE      3.75             (#peak  1486)
 &rst
  ixpk= 1486, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1405,1406,
 igr2=1546,1551,
 &end
#
#  87 GLU- HA     87 GLU- QG      3.74             (#peak  1361 #SUP  1.00)
 &rst
  ixpk= 1361, nxpk= 0, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1420,1421,
 &end
#
#  87 GLU- HB2    88 LYS+ HN      4.00             (#peak  1354 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1354, nxpk= 0, iat=1417,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  87 GLU- HB3    88 LYS+ HN      4.18             (#peak  1355 #SUP  1.00)
 &rst
  ixpk= 1355, nxpk= 0, iat=1418,1428, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  87 GLU- HN     87 GLU- HB2     3.64             (#peak   566 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 566, nxpk= 0, iat=1413,1417, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  87 GLU- HN     87 GLU- HB3     3.19             (#peak   565 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 565, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  87 GLU- HN     87 GLU- QG      3.60             (#peak   564 #SUP  0.97  #QF  0.27)
 &rst
  ixpk= 564, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1420,1421,
 &end
#
#  87 GLU- HN     88 LYS+ HN      3.44             (#peak   568 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 568, nxpk= 0, iat=1413,1428, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  87 GLU- QG     88 LYS+ HG2     4.41             (#peak  1384 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1384, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1420,1421,
 &end
#
#  87 GLU- QG     88 LYS+ HG3     4.41             (#peak  1383 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1383, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1420,1421,
 &end
#
#  87 GLU- QG     88 LYS+ HN      4.03             (#peak   572 #SUP  0.96  #QF  0.34)
 &rst
  ixpk= 572, nxpk= 0, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1420,1421,
 &end
#
#  87 GLU- QG     88 LYS+ QD      4.11             (#peak  1363 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1363, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1420,1421,
 igr2=1438,1439,
 &end
#
#  88 LYS+ HA     88 LYS+ HG2     4.05             (#peak  1378 #SUP  1.00)
 &rst
  ixpk= 1378, nxpk= 0, iat=1430,1435, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  88 LYS+ HA     88 LYS+ HG3     4.05             (#peak  1377 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1377, nxpk= 0, iat=1430,1436, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  88 LYS+ HA     88 LYS+ QD      4.28             (#peak  1385 #SUP  1.00)
 &rst
  ixpk= 1385, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1438,1439,
 &end
#
#  88 LYS+ HA     88 LYS+ QG      3.53             (#peak  1378)
 &rst
  ixpk= 1378, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1435,1436,
 &end
#
#  88 LYS+ HG2    88 LYS+ QE      4.16             (#peak  1382 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1382, nxpk= 0, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1441,1442,
 &end
#
#  88 LYS+ HG2    89 GLN  HN      4.64             (#peak   588 #SUP  1.00)
 &rst
  ixpk= 588, nxpk= 0, iat=1435,1450, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  88 LYS+ HG3    88 LYS+ QE      4.16             (#peak  1381 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1381, nxpk= 0, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1441,1442,
 &end
#
#  88 LYS+ HG3    89 GLN  HN      4.64             (#peak   587 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 587, nxpk= 0, iat=1436,1450, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  88 LYS+ HN     88 LYS+ HG2     3.92             (#peak  1380 #SUP  1.00)
 &rst
  ixpk= 1380, nxpk= 0, iat=1428,1435, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  88 LYS+ HN     88 LYS+ HG3     3.92             (#peak   576 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 576, nxpk= 0, iat=1428,1436, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  88 LYS+ HN     88 LYS+ QB      3.12             (#peak   574 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 574, nxpk= 0, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1432,1433,
 &end
#
#  88 LYS+ HN     88 LYS+ QD      4.17             (#peak  1387 #SUP  1.00)
 &rst
  ixpk= 1387, nxpk= 0, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1438,1439,
 &end
#
#  88 LYS+ HN     89 GLN  HN      3.08             (#peak   579 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 579, nxpk= 0, iat=1428,1450, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  88 LYS+ QB     88 LYS+ QD      3.23             (#peak  1389 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1389, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1432,1433,
 igr2=1438,1439,
 &end
#
#  88 LYS+ QB     88 LYS+ QE      4.77             (#peak  1373 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1373, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1432,1433,
 igr2=1441,1442,
 &end
#
#  88 LYS+ QB     89 GLN  HN      3.47             (#peak   584 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 584, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1432,1433,
 &end
#
#  88 LYS+ QG     88 LYS+ QE      3.59             (#peak  1381)
 &rst
  ixpk= 1381, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1435,1436,
 igr2=1441,1442,
 &end
#
#  89 GLN  HB2    92 ILE  QD1     3.58             (#peak  1403 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1403, nxpk= 0, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1514,1515,1516,
 &end
#
#  89 GLN  HB3    92 ILE  QD1     3.58             (#peak  1404 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1404, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1514,1515,1516,
 &end
#
#  89 GLN  HG2    92 ILE  QD1     4.14             (#peak  1405 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1405, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1514,1515,1516,
 &end
#
#  89 GLN  HG3    92 ILE  QD1     4.14             (#peak  1406 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1406, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1514,1515,1516,
 &end
#
#  89 GLN  HN     89 GLN  HB2     4.05             (#peak   586 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 586, nxpk= 0, iat=1450,1454, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  89 GLN  HN     89 GLN  HB3     4.05             (#peak   585 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 585, nxpk= 0, iat=1450,1455, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  89 GLN  HN     89 GLN  HG2     4.39             (#peak   583 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 583, nxpk= 0, iat=1450,1457, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  89 GLN  HN     89 GLN  HG3     4.39             (#peak  1398 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1398, nxpk= 0, iat=1450,1458, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  89 GLN  HN     89 GLN  QB      3.48             (#peak   585)
 &rst
  ixpk= 585, nxpk= 0, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1454,1455,
 &end
#
#  89 GLN  QB     91 HIS  HE1     4.01             (#peak  2342)
 &rst
  ixpk= 2342, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1454,1455,
 &end
#
#  89 GLN  QB     92 ILE  HA      5.34             (#peak  1394)
 &rst
  ixpk= 1394, nxpk= 0, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1454,1455,
 &end
#
#  89 GLN  QB     92 ILE  QG1     4.34             (#peak  1396)
 &rst
  ixpk= 1396, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1454,1455,
 igr2=1511,1512,
 &end
#
#  89 GLN  QG     90 GLN  HN      5.34             (#peak   366)
 &rst
  ixpk= 366, nxpk= 0, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1457,1458,
 &end
#
#  89 GLN  QG     91 HIS  HE1     4.24             (#peak  2344)
 &rst
  ixpk= 2344, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1457,1458,
 &end
#
#  89 GLN  QG     92 ILE  HN      5.34             (#peak   596)
 &rst
  ixpk= 596, nxpk= 0, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1457,1458,
 &end
#
#  89 GLN  QG     92 ILE  QG2     5.34             (#peak  1425)
 &rst
  ixpk= 1425, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1457,1458,
 igr2=1507,1508,1509,
 &end
#
#  90 GLN  HN     90 GLN  HG2     4.15             (#peak   362 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 362, nxpk= 0, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  90 GLN  HN     90 GLN  HG3     4.15             (#peak   363 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 363, nxpk= 0, iat=1467,1475, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  90 GLN  HN     90 GLN  QB      3.70             (#peak   368 #SUP  0.99  #QF  0.97)
 &rst
  ixpk= 368, nxpk= 0, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1471,1472,
 &end
#
#  90 GLN  HN     90 GLN  QG      3.59             (#peak   363)
 &rst
  ixpk= 363, nxpk= 0, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1474,1475,
 &end
#
#  90 GLN  HN     91 HIS  HN      4.43             (#peak   359 #SUP  0.93  #QF  0.40)
 &rst
  ixpk= 359, nxpk= 0, iat=1467,1484, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  90 GLN  HN     91 HIS  QB      4.71             (#peak   364 #SUP  0.42  #QF  0.42)
 &rst
  ixpk= 364, nxpk= 0, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1488,1489,
 &end
#
#  91 HIS  HA    111 VAL  QG2     3.63             (#peak  1734 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1734, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1790,1791,1792,
 &end
#
#  91 HIS  HE1    92 ILE  QD1     3.74             (#peak  2341 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 2341, nxpk= 0, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1514,1515,1516,
 &end
#
#  91 HIS  HE1    92 ILE  QG1     4.45             (#peak  2340)
 &rst
  ixpk= 2340, nxpk= 0, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1511,1512,
 &end
#
#  91 HIS  HN     92 ILE  HN      3.69             (#peak   592 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 592, nxpk= 0, iat=1484,1501, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  91 HIS  QB    111 VAL  HN      4.61             (#peak   742 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 742, nxpk= 0, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1488,1489,
 &end
#
#  91 HIS  QB    111 VAL  QG2     4.41             (#peak  1739 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1739, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1488,1489,
 igr2=1790,1791,1792,
 &end
#
#  92 ILE  HA     92 ILE  QD1     3.91             (#peak  1410 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1410, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1514,1515,1516,
 &end
#
#  92 ILE  HA     92 ILE  QG1     3.66             (#peak  1442)
 &rst
  ixpk= 1442, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1511,1512,
 &end
#
#  92 ILE  HA     92 ILE  QG2     3.34             (#peak  1422 #SUP  1.00)
 &rst
  ixpk= 1422, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1507,1508,1509,
 &end
#
#  92 ILE  HA     93 VAL  HN      3.24             (#peak   602 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 602, nxpk= 0, iat=1503,1520, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  92 ILE  HA    110 SER  HA      4.08             (#peak  2119 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 2119, nxpk= 0, iat=1503,1771, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  92 ILE  HB     92 ILE  QD1     3.38             (#peak  1402 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1402, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1514,1515,1516,
 &end
#
#  92 ILE  HN     92 ILE  HB      3.56             (#peak   597 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 597, nxpk= 0, iat=1501,1505, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  92 ILE  HN     92 ILE  HG12    4.40             (#peak   599 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 599, nxpk= 0, iat=1501,1511, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  92 ILE  HN     92 ILE  HG13    4.40             (#peak   598 #SUP  0.88  #QF  0.69)
 &rst
  ixpk= 598, nxpk= 0, iat=1501,1512, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  92 ILE  HN     92 ILE  QD1     4.55             (#peak  1416 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1416, nxpk= 0, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1514,1515,1516,
 &end
#
#  92 ILE  HN     92 ILE  QG1     3.80             (#peak   599)
 &rst
  ixpk= 599, nxpk= 0, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1511,1512,
 &end
#
#  92 ILE  HN     92 ILE  QG2     4.13             (#peak   600 #SUP  1.00)
 &rst
  ixpk= 600, nxpk= 0, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1507,1508,1509,
 &end
#
#  92 ILE  HN     93 VAL  HN      4.70             (#peak   591 #SUP  1.00)
 &rst
  ixpk= 591, nxpk= 0, iat=1501,1520, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  92 ILE  QD1    94 TYR  QD      5.50             (#peak  1413 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1413, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1514,1515,1516,
 igr2=1544,1553,
 &end
#
#  92 ILE  QD1    94 TYR  QE      4.53             (#peak  1412 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1412, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1514,1515,1516,
 igr2=1546,1551,
 &end
#
#  92 ILE  QD1   110 SER  HA      4.93             (#peak  1411 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1411, nxpk= 0, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1514,1515,1516,
 &end
#
#  92 ILE  QD1   110 SER  QB      4.07             (#peak  1409)
 &rst
  ixpk= 1409, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1514,1515,1516,
 igr2=1773,1774,
 &end
#
#  92 ILE  QG1   110 SER  QB      4.28             (#peak   924)
 &rst
  ixpk= 924, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1511,1512,
 igr2=1773,1774,
 &end
#
#  92 ILE  QG2    92 ILE  QD1     2.76             (#peak  1427 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1427, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1507,1508,1509,
 igr2=1514,1515,1516,
 &end
#
#  92 ILE  QG2    92 ILE  QG1     3.18             (#peak  1428)
 &rst
  ixpk= 1428, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1507,1508,1509,
 igr2=1511,1512,
 &end
#
#  92 ILE  QG2    93 VAL  HN      3.36             (#peak  1418 #SUP  0.92  #QF  0.87)
 &rst
  ixpk= 1418, nxpk= 0, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1507,1508,1509,
 &end
#
#  92 ILE  QG2    94 TYR  QD      4.26             (#peak  1420 #SUP  1.00)
 &rst
  ixpk= 1420, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1507,1508,1509,
 igr2=1544,1553,
 &end
#
#  92 ILE  QG2    94 TYR  QE      3.75             (#peak  1421 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1421, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1507,1508,1509,
 igr2=1546,1551,
 &end
#
#  92 ILE  QG2   108 SER  HB2     4.59             (#peak  1423 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1423, nxpk= 0, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1507,1508,1509,
 &end
#
#  92 ILE  QG2   108 SER  HB3     4.59             (#peak  1647 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1647, nxpk= 0, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1507,1508,1509,
 &end
#
#  92 ILE  QG2   108 SER  QB      3.74             (#peak  1423)
 &rst
  ixpk= 1423, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1507,1508,1509,
 igr2=1742,1743,
 &end
#
#  92 ILE  QG2   109 PHE  HN      4.19             (#peak   730 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 730, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1507,1508,1509,
 &end
#
#  92 ILE  QG2   110 SER  HN      5.23             (#peak  1417 #SUP  1.00)
 &rst
  ixpk= 1417, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1507,1508,1509,
 &end
#
#  93 VAL  HA     93 VAL  QG1     3.64             (#peak  2000 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2000, nxpk= 0, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1526,1527,1528,
 &end
#
#  93 VAL  HA     93 VAL  QG2     3.64             (#peak  1450 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1450, nxpk= 0, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1530,1531,1532,
 &end
#
#  93 VAL  HA     94 TYR  HN      3.25             (#peak   613 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 613, nxpk= 0, iat=1522,1536, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  93 VAL  HB    100 LEU  QD2     4.43             (#peak  2306 #SUP  0.96  #QF  0.95)
 &rst
  ixpk= 2306, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1637,1638,1639,
 &end
#
#  93 VAL  HB    109 PHE  HN      5.14             (#peak   731 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 731, nxpk= 0, iat=1524,1749, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  93 VAL  HB    109 PHE  HZ      5.27             (#peak  1460 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1460, nxpk= 0, iat=1524,1761, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  93 VAL  HN     93 VAL  HB      3.75             (#peak   606 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 606, nxpk= 0, iat=1520,1524, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  93 VAL  HN     93 VAL  QG1     4.35             (#peak   605 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 605, nxpk= 0, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1526,1527,1528,
 &end
#
#  93 VAL  HN     93 VAL  QG2     4.35             (#peak  1445 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 1445, nxpk= 0, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1530,1531,1532,
 &end
#
#  93 VAL  HN     93 VAL  QQG     3.39             (#peak   605)
 &rst
  ixpk= 605, nxpk= 0, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  HN     94 TYR  HN      4.95             (#peak   609 #SUP  1.00  #QF  0.93)
 &rst
  ixpk= 609, nxpk= 0, iat=1520,1536, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  93 VAL  HN    110 SER  HA      4.58             (#peak   603 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 603, nxpk= 0, iat=1520,1771, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  93 VAL  HN    110 SER  HN      5.36             (#peak   732 #SUP  0.99  #QF  0.26)
 &rst
  ixpk= 732, nxpk= 0, iat=1520,1769, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  93 VAL  HN    111 VAL  HN      5.03             (#peak   604 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 604, nxpk= 0, iat=1520,1780, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  93 VAL  QG1    94 TYR  HN      4.14             (#peak  1995 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1995, nxpk= 0, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1526,1527,1528,
 &end
#
#  93 VAL  QG1   109 PHE  HN      4.72             (#peak   728 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 728, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1526,1527,1528,
 &end
#
#  93 VAL  QG1   109 PHE  HZ      4.11             (#peak  1998 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1998, nxpk= 0, iat=  -1,1761, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1526,1527,1528,
 &end
#
#  93 VAL  QG1   109 PHE  QD      4.71             (#peak  1685 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1685, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1526,1527,1528,
 igr2=1757,1765,
 &end
#
#  93 VAL  QG2    94 TYR  HN      4.14             (#peak   618 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 618, nxpk= 0, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1530,1531,1532,
 &end
#
#  93 VAL  QG2   109 PHE  HN      4.72             (#peak   729 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 729, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1530,1531,1532,
 &end
#
#  93 VAL  QG2   109 PHE  HZ      4.11             (#peak  1688 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1688, nxpk= 0, iat=  -1,1761, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1530,1531,1532,
 &end
#
#  93 VAL  QG2   109 PHE  QD      4.71             (#peak  1448 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1448, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1530,1531,1532,
 igr2=1757,1765,
 &end
#
#  93 VAL  QQG    94 TYR  HN      3.32             (#peak   618)
 &rst
  ixpk= 618, nxpk= 0, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  QQG    95 CYS  QB      4.03             (#peak  1492)
 &rst
  ixpk= 1492, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1561,1562,
 &end
#
#  93 VAL  QQG   100 LEU  QD2     3.22             (#peak  1526)
 &rst
  ixpk= 1526, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1637,1638,1639,
 &end
#
#  93 VAL  QQG   104 PHE  QE      4.79             (#peak  1447)
 &rst
  ixpk= 1447, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1691,1695,
 &end
#
#  93 VAL  QQG   109 PHE  HN      4.05             (#peak   729)
 &rst
  ixpk= 729, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  QQG   109 PHE  HZ      3.52             (#peak  1998)
 &rst
  ixpk= 1998, nxpk= 0, iat=  -1,1761, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  QQG   109 PHE  QD      3.96             (#peak  1448)
 &rst
  ixpk= 1448, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1757,1765,
 &end
#
#  93 VAL  QQG   109 PHE  QE      3.90             (#peak  1997)
 &rst
  ixpk= 1997, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1759,1763,
 &end
#
#  93 VAL  QQG   110 SER  HA      5.31             (#peak  2116)
 &rst
  ixpk= 2116, nxpk= 0, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  QQG   111 VAL  HB      5.44             (#peak  2002)
 &rst
  ixpk= 2002, nxpk= 0, iat=  -1,1784, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  QQG   111 VAL  HN      4.44             (#peak   737)
 &rst
  ixpk= 737, nxpk= 0, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#  93 VAL  QQG   111 VAL  QG1     4.95             (#peak  2005)
 &rst
  ixpk= 2005, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1786,1787,1788,
 &end
#
#  93 VAL  QQG   111 VAL  QG2     3.07             (#peak  1744)
 &rst
  ixpk= 1744, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1526,1527,1528,1530,1531,1532,
 igr2=1790,1791,1792,
 &end
#
#  94 TYR  HA     94 TYR  QD      4.37             (#peak  1476 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1476, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1544,1553,
 &end
#
#  94 TYR  HA     95 CYS  HN      3.32             (#peak   622 #SUP  0.99  #QF  0.81)
 &rst
  ixpk= 622, nxpk= 0, iat=1538,1557, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  94 TYR  HN     94 TYR  HB2     3.83             (#peak   615 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 615, nxpk= 0, iat=1536,1540, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  94 TYR  HN     94 TYR  HB3     3.83             (#peak   614 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 614, nxpk= 0, iat=1536,1541, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  94 TYR  HN     94 TYR  QB      3.35             (#peak   615)
 &rst
  ixpk= 615, nxpk= 0, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1540,1541,
 &end
#
#  94 TYR  HN     94 TYR  QD      3.92             (#peak   610 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 610, nxpk= 0, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1544,1553,
 &end
#
#  94 TYR  HN     95 CYS  HN      5.31             (#peak   609 #SUP  1.00  #QF  0.93)
 &rst
  ixpk= 609, nxpk= 0, iat=1536,1557, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  94 TYR  QB     95 CYS  HN      4.16             (#peak   903)
 &rst
  ixpk= 903, nxpk= 0, iat=  -1,1557, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1540,1541,
 &end
#
#  94 TYR  QB     96 SER  HN      4.65             (#peak   633)
 &rst
  ixpk= 633, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1540,1541,
 &end
#
#  94 TYR  QD     95 CYS  HN      4.77             (#peak  1473 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1473, nxpk= 0, iat=  -1,1557, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1544,1553,
 &end
#
#  94 TYR  QD    108 SER  HB2     4.02             (#peak  1638 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1638, nxpk= 0, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1544,1553,
 &end
#
#  94 TYR  QD    108 SER  HB3     4.02             (#peak  1643 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1643, nxpk= 0, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1544,1553,
 &end
#
#  94 TYR  QD    108 SER  QB      3.49             (#peak  1643)
 &rst
  ixpk= 1643, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1544,1553,
 igr2=1742,1743,
 &end
#
#  94 TYR  QE    108 SER  HB2     4.75             (#peak  1645 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1645, nxpk= 0, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1546,1551,
 &end
#
#  94 TYR  QE    108 SER  HB3     4.75             (#peak  1644 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1644, nxpk= 0, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1546,1551,
 &end
#
#  95 CYS  HB2   100 LEU  QB      4.25             (#peak  2338 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2338, nxpk= 0, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1628,1629,
 &end
#
#  95 CYS  HB2   100 LEU  QD2     4.11             (#peak  1491 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1491, nxpk= 0, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1637,1638,1639,
 &end
#
#  95 CYS  HB2   101 GLY  HN      4.56             (#peak  1488 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1488, nxpk= 0, iat=1561,1643, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  95 CYS  HB3   100 LEU  QB      4.25             (#peak  1495 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1495, nxpk= 0, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1628,1629,
 &end
#
#  95 CYS  HB3   100 LEU  QD2     4.11             (#peak  1494 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1494, nxpk= 0, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1637,1638,1639,
 &end
#
#  95 CYS  HB3   101 GLY  HN      4.56             (#peak  1498 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1498, nxpk= 0, iat=1562,1643, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  95 CYS  HN     95 CYS  QB      3.67             (#peak   626)
 &rst
  ixpk= 626, nxpk= 0, iat=1557,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1561,1562,
 &end
#
#  95 CYS  HN     96 SER  HN      3.66             (#peak   631 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 631, nxpk= 0, iat=1557,1568, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  95 CYS  HN    108 SER  HA      3.66             (#peak   621 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 621, nxpk= 0, iat=1557,1740, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  95 CYS  HN    108 SER  QB      3.77             (#peak  1641)
 &rst
  ixpk= 1641, nxpk= 0, iat=1557,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1742,1743,
 &end
#
#  95 CYS  QB    100 LEU  QD2     3.59             (#peak  1494)
 &rst
  ixpk= 1494, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1561,1562,
 igr2=1637,1638,1639,
 &end
#
#  95 CYS  QB    101 GLY  HN      3.96             (#peak  1498)
 &rst
  ixpk= 1498, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1561,1562,
 &end
#
#  95 CYS  QB    101 GLY  QA      3.82             (#peak  1496)
 &rst
  ixpk= 1496, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=1561,1562,
 igr2=1645,1646,
 &end
#
#  96 SER  HN     96 SER  QB      3.28             (#peak   630 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 630, nxpk= 0, iat=1568,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=1572,1573,
 &end
#
#  96 SER  HN    107 PRO  HA      5.00             (#peak   628 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 628, nxpk= 0, iat=1568,1734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 SER  QB    107 PRO  HA      3.92             (#peak  1501 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1501, nxpk= 0, iat=  -1,1734, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1572,1573,
 &end
#
#  96 SER  QB    107 PRO  HB2     4.09             (#peak  1503 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1503, nxpk= 0, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1572,1573,
 &end
#
#  96 SER  QB    107 PRO  HB3     4.09             (#peak  1504 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1504, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1572,1573,
 &end
#
#  99 LEU  HA     99 LEU  HG      4.21             (#peak  2282 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2282, nxpk= 0, iat=1607,1612, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  99 LEU  HA     99 LEU  QD1     3.16             (#peak  2279 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 2279, nxpk= 0, iat=1607,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1614,1615,1616,
 &end
#
#  99 LEU  HA     99 LEU  QD2     3.85             (#peak  2202 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2202, nxpk= 0, iat=1607,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1618,1619,1620,
 &end
#
#  99 LEU  HA    102 ASP- HN      3.93             (#peak   655 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 655, nxpk= 0, iat=1607,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  99 LEU  HA    102 ASP- QB      3.97             (#peak  2203)
 &rst
  ixpk= 2203, nxpk= 0, iat=1607,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1654,1655,
 &end
#
#  99 LEU  HG    100 LEU  HN      4.85             (#peak   637 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 637, nxpk= 0, iat=1612,1624, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  99 LEU  HG    103 LEU  QQD     3.36             (#peak  2035)
 &rst
  ixpk= 2035, nxpk= 0, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
#  99 LEU  QB    100 LEU  HN      3.70             (#peak   636)
 &rst
  ixpk= 636, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1609,1610,
 &end
#
#  99 LEU  QD1   102 ASP- HN      4.56             (#peak  2095 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 2095, nxpk= 0, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1614,1615,1616,
 &end
#
#  99 LEU  QD1   102 ASP- QB      4.26             (#peak  1543)
 &rst
  ixpk= 1543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1614,1615,1616,
 igr2=1654,1655,
 &end
#
#  99 LEU  QD1   103 LEU  HN      4.37             (#peak   676 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 676, nxpk= 0, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1614,1615,1616,
 &end
#
#  99 LEU  QD2   100 LEU  HN      5.50             (#peak   638 #SUP  0.98  #QF  0.24)
 &rst
  ixpk= 638, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1618,1619,1620,
 &end
#
# 100 LEU  HA    100 LEU  HG      4.09             (#peak  1510 #SUP  0.99  #QF  0.26)
 &rst
  ixpk= 1510, nxpk= 0, iat=1626,1631, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 100 LEU  HA    100 LEU  QD1     3.23             (#peak  1530 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 1530, nxpk= 0, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1633,1634,1635,
 &end
#
# 100 LEU  HA    100 LEU  QD2     4.01             (#peak  1520 #SUP  1.00)
 &rst
  ixpk= 1520, nxpk= 0, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1637,1638,1639,
 &end
#
# 100 LEU  HA    103 LEU  HN      4.17             (#peak   669 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 669, nxpk= 0, iat=1626,1662, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 100 LEU  HA    103 LEU  QB      3.80             (#peak  1510 #SUP  0.99  #QF  0.26)
 &rst
  ixpk= 1510, nxpk= 0, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1666,1667,
 &end
#
# 100 LEU  HA    103 LEU  QQD     3.72             (#peak  2028)
 &rst
  ixpk= 2028, nxpk= 0, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 100 LEU  HG    104 PHE  QD      4.35             (#peak  1590 #SUP  1.00)
 &rst
  ixpk= 1590, nxpk= 0, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1689,1697,
 &end
#
# 100 LEU  HG    104 PHE  QE      4.46             (#peak  1602 #SUP  0.98  #QF  0.96)
 &rst
  ixpk= 1602, nxpk= 0, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1691,1695,
 &end
#
# 100 LEU  HN    100 LEU  QB      3.88             (#peak  1514 #SUP  1.00)
 &rst
  ixpk= 1514, nxpk= 0, iat=1624,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1628,1629,
 &end
#
# 100 LEU  HN    100 LEU  QD1     4.94             (#peak   639 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 639, nxpk= 0, iat=1624,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1633,1634,1635,
 &end
#
# 100 LEU  HN    100 LEU  QD2     4.79             (#peak  1523 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1523, nxpk= 0, iat=1624,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1637,1638,1639,
 &end
#
# 100 LEU  HN    101 GLY  HN      3.82             (#peak   640 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 640, nxpk= 0, iat=1624,1643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 100 LEU  HN    102 ASP- HN      4.74             (#peak   652 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 652, nxpk= 0, iat=1624,1650, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 100 LEU  HN    103 LEU  QQD     5.25             (#peak   639)
 &rst
  ixpk= 639, nxpk= 0, iat=1624,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 100 LEU  QB    100 LEU  QD1     3.43             (#peak  1531 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1531, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1628,1629,
 igr2=1633,1634,1635,
 &end
#
# 100 LEU  QB    100 LEU  QD2     3.72             (#peak  1518 #SUP  0.98  #QF  0.48)
 &rst
  ixpk= 1518, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1628,1629,
 igr2=1637,1638,1639,
 &end
#
# 100 LEU  QB    101 GLY  HN      3.94             (#peak   647 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 647, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1628,1629,
 &end
#
# 100 LEU  QB    102 ASP- HN      5.07             (#peak   659 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 659, nxpk= 0, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1628,1629,
 &end
#
# 100 LEU  QB    104 PHE  QD      4.65             (#peak  1589 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1589, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1628,1629,
 igr2=1689,1697,
 &end
#
# 100 LEU  QD1   101 GLY  HN      5.25             (#peak   649 #SUP  0.94  #QF  0.85)
 &rst
  ixpk= 649, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1633,1634,1635,
 &end
#
# 100 LEU  QD1   104 PHE  HZ      5.00             (#peak  1605 #SUP  0.92  #QF  0.75)
 &rst
  ixpk= 1605, nxpk= 0, iat=  -1,1693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1633,1634,1635,
 &end
#
# 100 LEU  QD1   104 PHE  QD      3.93             (#peak  1594 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1594, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1633,1634,1635,
 igr2=1689,1697,
 &end
#
# 100 LEU  QD1   104 PHE  QE      3.38             (#peak  1529 #SUP  0.98  #QF  0.40)
 &rst
  ixpk= 1529, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1633,1634,1635,
 igr2=1691,1695,
 &end
#
# 100 LEU  QD2   101 GLY  HN      4.53             (#peak   648 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 648, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1637,1638,1639,
 &end
#
# 100 LEU  QD2   104 PHE  QD      4.19             (#peak  1522 #SUP  0.96  #QF  0.81)
 &rst
  ixpk= 1522, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1637,1638,1639,
 igr2=1689,1697,
 &end
#
# 100 LEU  QD2   104 PHE  QE      3.23             (#peak  1521 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1521, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1637,1638,1639,
 igr2=1691,1695,
 &end
#
# 101 GLY  HN    102 ASP- HN      3.33             (#peak   650 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 650, nxpk= 0, iat=1643,1650, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 101 GLY  HN    103 LEU  HN      4.51             (#peak   666 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 666, nxpk= 0, iat=1643,1662, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 101 GLY  HN    103 LEU  QQD     5.44             (#peak   649)
 &rst
  ixpk= 649, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 102 ASP- HB2   103 LEU  HN      4.14             (#peak   671 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 671, nxpk= 0, iat=1654,1662, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 102 ASP- HB3   103 LEU  HN      4.14             (#peak   670 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 670, nxpk= 0, iat=1655,1662, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 102 ASP- HN    102 ASP- HB2     3.65             (#peak   658 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 658, nxpk= 0, iat=1650,1654, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 102 ASP- HN    102 ASP- HB3     3.65             (#peak   657 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 657, nxpk= 0, iat=1650,1655, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 102 ASP- HN    102 ASP- QB      3.12             (#peak   657)
 &rst
  ixpk= 657, nxpk= 0, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1654,1655,
 &end
#
# 102 ASP- HN    103 LEU  HN      3.28             (#peak   651 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 651, nxpk= 0, iat=1650,1662, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 102 ASP- HN    103 LEU  QB      4.47             (#peak  1561 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1561, nxpk= 0, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1666,1667,
 &end
#
# 102 ASP- HN    103 LEU  QQD     5.03             (#peak   663)
 &rst
  ixpk= 663, nxpk= 0, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 102 ASP- HN    104 PHE  HN      4.93             (#peak   653 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 653, nxpk= 0, iat=1650,1681, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 102 ASP- QB    103 LEU  HA      4.79             (#peak  1568)
 &rst
  ixpk= 1568, nxpk= 0, iat=  -1,1664, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1654,1655,
 &end
#
# 102 ASP- QB    103 LEU  HN      3.58             (#peak   670)
 &rst
  ixpk= 670, nxpk= 0, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1654,1655,
 &end
#
# 103 LEU  HA    103 LEU  HG      3.93             (#peak  1570 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1570, nxpk= 0, iat=1664,1669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 103 LEU  HA    103 LEU  QQD     3.28             (#peak  1572)
 &rst
  ixpk= 1572, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 103 LEU  HA    105 GLY  HN      4.67             (#peak   694 #SUP  0.64  #QF  0.64)
 &rst
  ixpk= 694, nxpk= 0, iat=1664,1701, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 103 LEU  HA    124 MET  QE      3.72             (#peak   692 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 692, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=2016,2017,2018,
 &end
#
# 103 LEU  HA    124 MET  QG      4.91             (#peak   679 #SUP  0.78  #QF  0.48)
 &rst
  ixpk= 679, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=2012,2013,
 &end
#
# 103 LEU  HG    104 PHE  HN      4.84             (#peak   687 #SUP  1.00)
 &rst
  ixpk= 687, nxpk= 0, iat=1669,1681, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 103 LEU  HN    103 LEU  HG      4.06             (#peak   673 #SUP  1.00)
 &rst
  ixpk= 673, nxpk= 0, iat=1662,1669, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 103 LEU  HN    103 LEU  QB      3.38             (#peak  1559 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1559, nxpk= 0, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1666,1667,
 &end
#
# 103 LEU  HN    103 LEU  QD1     4.24             (#peak   675 #SUP  0.96  #QF  0.86)
 &rst
  ixpk= 675, nxpk= 0, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1671,1672,1673,
 &end
#
# 103 LEU  HN    103 LEU  QD2     4.24             (#peak  1547 #SUP  1.00)
 &rst
  ixpk= 1547, nxpk= 0, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1675,1676,1677,
 &end
#
# 103 LEU  HN    103 LEU  QQD     3.50             (#peak   675)
 &rst
  ixpk= 675, nxpk= 0, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 103 LEU  HN    104 PHE  HN      3.48             (#peak   664 #SUP  1.00)
 &rst
  ixpk= 664, nxpk= 0, iat=1662,1681, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 103 LEU  HN    105 GLY  HN      4.38             (#peak   692 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 692, nxpk= 0, iat=1662,1701, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 103 LEU  HN    124 MET  QE      5.19             (#peak   685 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 685, nxpk= 0, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=2016,2017,2018,
 &end
#
# 103 LEU  QB    103 LEU  QD1     3.32             (#peak  1566 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1566, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1666,1667,
 igr2=1671,1672,1673,
 &end
#
# 103 LEU  QB    103 LEU  QD2     3.32             (#peak  1556 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1556, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1666,1667,
 igr2=1675,1676,1677,
 &end
#
# 103 LEU  QB    103 LEU  QQD     2.81             (#peak  1556)
 &rst
  ixpk= 1556, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1666,1667,
 igr2=1671,1672,1673,1675,1676,1677,
 &end
#
# 103 LEU  QB    104 PHE  HN      3.44             (#peak   686 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 686, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1666,1667,
 &end
#
# 103 LEU  QB    104 PHE  QD      4.42             (#peak  1562 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1562, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1666,1667,
 igr2=1689,1697,
 &end
#
# 103 LEU  QB    105 GLY  HN      4.66             (#peak   698 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 698, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1666,1667,
 &end
#
# 103 LEU  QB    124 MET  QG      4.83             (#peak  1565 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1565, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1666,1667,
 igr2=2012,2013,
 &end
#
# 103 LEU  QD1   104 PHE  HN      5.46             (#peak   689 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 689, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1671,1672,1673,
 &end
#
# 103 LEU  QD2   104 PHE  HN      5.46             (#peak  2024 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 2024, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1675,1676,1677,
 &end
#
# 103 LEU  QQD   104 PHE  HN      4.01             (#peak   689)
 &rst
  ixpk= 689, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1671,1672,1673,1675,1676,1677,
 &end
#
# 103 LEU  QQD   124 MET  QB      4.35             (#peak  2031)
 &rst
  ixpk= 2031, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=1671,1672,1673,1675,1676,1677,
 igr2=2009,2010,
 &end
#
# 103 LEU  QQD   124 MET  QE      3.46             (#peak   697)
 &rst
  ixpk= 697, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1671,1672,1673,1675,1676,1677,
 igr2=2016,2017,2018,
 &end
#
# 103 LEU  QQD   124 MET  QG      3.97             (#peak  2030)
 &rst
  ixpk= 2030, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1671,1672,1673,1675,1676,1677,
 igr2=2012,2013,
 &end
#
# 104 PHE  HA    104 PHE  QD      4.27             (#peak  1586 #SUP  1.00)
 &rst
  ixpk= 1586, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1689,1697,
 &end
#
# 104 PHE  HA    106 VAL  HN      5.11             (#peak   703 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 703, nxpk= 0, iat=1683,1708, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 104 PHE  HA    124 MET  QE      3.38             (#peak   690 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 690, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=2016,2017,2018,
 &end
#
# 104 PHE  HB2   105 GLY  HN      4.41             (#peak   697 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 697, nxpk= 0, iat=1685,1701, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 104 PHE  HB2   106 VAL  HN      4.16             (#peak   706 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 706, nxpk= 0, iat=1685,1708, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 104 PHE  HB2   106 VAL  QG2     3.52             (#peak  1624 #SUP  0.98  #QF  0.94)
 &rst
  ixpk= 1624, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1718,1719,1720,
 &end
#
# 104 PHE  HB3   105 GLY  HN      4.41             (#peak   696 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 696, nxpk= 0, iat=1686,1701, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 104 PHE  HB3   106 VAL  HN      4.16             (#peak   705 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 705, nxpk= 0, iat=1686,1708, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 104 PHE  HB3   106 VAL  QG2     3.52             (#peak  1623 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1623, nxpk= 0, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1718,1719,1720,
 &end
#
# 104 PHE  HN    104 PHE  HB2     3.70             (#peak   685 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 685, nxpk= 0, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 104 PHE  HN    104 PHE  HB3     3.70             (#peak   684 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 684, nxpk= 0, iat=1681,1686, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 104 PHE  HN    104 PHE  QB      3.21             (#peak   685)
 &rst
  ixpk= 685, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1685,1686,
 &end
#
# 104 PHE  HN    104 PHE  QD      3.85             (#peak   679 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 679, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1689,1697,
 &end
#
# 104 PHE  HN    105 GLY  HN      3.31             (#peak   691 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 691, nxpk= 0, iat=1681,1701, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 104 PHE  HN    105 GLY  QA      4.79             (#peak   683 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 683, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1703,1704,
 &end
#
# 104 PHE  HN    106 VAL  HN      4.52             (#peak   700 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 700, nxpk= 0, iat=1681,1708, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 104 PHE  HN    106 VAL  QG2     4.74             (#peak   688 #SUP  1.00)
 &rst
  ixpk= 688, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1718,1719,1720,
 &end
#
# 104 PHE  HN    124 MET  QE      4.51             (#peak   684 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 684, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=2016,2017,2018,
 &end
#
# 104 PHE  HZ    117 ILE  QG2     4.16             (#peak  1979 #SUP  0.89  #QF  0.73)
 &rst
  ixpk= 1979, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1902,1903,1904,
 &end
#
# 104 PHE  HZ    124 MET  QE      4.52             (#peak   688 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 688, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=2016,2017,2018,
 &end
#
# 104 PHE  QB    106 VAL  HN      3.65             (#peak   705)
 &rst
  ixpk= 705, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1685,1686,
 &end
#
# 104 PHE  QB    106 VAL  QG1     4.40             (#peak  1631)
 &rst
  ixpk= 1631, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1685,1686,
 igr2=1714,1715,1716,
 &end
#
# 104 PHE  QB    106 VAL  QG2     2.99             (#peak  1623)
 &rst
  ixpk= 1623, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1685,1686,
 igr2=1718,1719,1720,
 &end
#
# 104 PHE  QB    120 MET  QE      3.72             (#peak  2295)
 &rst
  ixpk= 2295, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1685,1686,
 igr2=1961,1962,1963,
 &end
#
# 104 PHE  QD    106 VAL  QG2     4.77             (#peak  1593 #SUP  0.97  #QF  0.87)
 &rst
  ixpk= 1593, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1689,1697,
 igr2=1718,1719,1720,
 &end
#
# 104 PHE  QD    120 MET  QE      3.50             (#peak  1909 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1909, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1689,1697,
 igr2=1961,1962,1963,
 &end
#
# 104 PHE  QD    124 MET  QE      3.43             (#peak   687 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 687, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1689,1697,
 igr2=2016,2017,2018,
 &end
#
# 104 PHE  QE    117 ILE  QG2     4.08             (#peak  1980 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 1980, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1691,1695,
 igr2=1902,1903,1904,
 &end
#
# 104 PHE  QE    120 MET  QE      4.09             (#peak  1910 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1910, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1691,1695,
 igr2=1961,1962,1963,
 &end
#
# 104 PHE  QE    121 MET  QE      4.47             (#peak  1884 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 1884, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1691,1695,
 igr2=1978,1979,1980,
 &end
#
# 104 PHE  QE    121 MET  QG      5.02             (#peak  1157)
 &rst
  ixpk= 1157, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1691,1695,
 igr2=1974,1975,
 &end
#
# 104 PHE  QE    124 MET  QE      3.57             (#peak   689 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 689, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=1691,1695,
 igr2=2016,2017,2018,
 &end
#
# 105 GLY  HN    106 VAL  HN      3.35             (#peak   701 #SUP  1.00)
 &rst
  ixpk= 701, nxpk= 0, iat=1701,1708, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 105 GLY  HN    106 VAL  QG2     4.34             (#peak   699 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 699, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1718,1719,1720,
 &end
#
# 105 GLY  QA    106 VAL  HN      3.51             (#peak   704 #SUP  1.00)
 &rst
  ixpk= 704, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1703,1704,
 &end
#
# 106 VAL  HA    106 VAL  QG1     3.27             (#peak  1634 #SUP  1.00)
 &rst
  ixpk= 1634, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1714,1715,1716,
 &end
#
# 106 VAL  HA    106 VAL  QG2     3.93             (#peak  1621 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1621, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1718,1719,1720,
 &end
#
# 106 VAL  HA    107 PRO  HD2     3.67             (#peak  1654 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1654, nxpk= 0, iat=1710,1725, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 106 VAL  HA    107 PRO  HD3     3.67             (#peak  1655 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1655, nxpk= 0, iat=1710,1726, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 106 VAL  HA    107 PRO  QG      4.26             (#peak  1667 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1667, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1728,1729,
 &end
#
# 106 VAL  HA    108 SER  HN      4.50             (#peak   719 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 719, nxpk= 0, iat=1710,1738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 VAL  HB    107 PRO  HD2     3.68             (#peak  1656 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1656, nxpk= 0, iat=1712,1725, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 106 VAL  HB    107 PRO  HD3     3.68             (#peak  1658 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1658, nxpk= 0, iat=1712,1726, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 106 VAL  HB    108 SER  HN      3.44             (#peak   713 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 713, nxpk= 0, iat=1712,1738, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 106 VAL  HN    106 VAL  HB      4.05             (#peak   707 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 707, nxpk= 0, iat=1708,1712, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 106 VAL  HN    106 VAL  QG1     3.56             (#peak  1635 #SUP  1.00)
 &rst
  ixpk= 1635, nxpk= 0, iat=1708,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1714,1715,1716,
 &end
#
# 106 VAL  HN    106 VAL  QG2     2.94             (#peak  1618 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1618, nxpk= 0, iat=1708,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1718,1719,1720,
 &end
#
# 106 VAL  QG1   107 PRO  HD2     3.89             (#peak  1633 #SUP  1.00  #QF  0.85)
 &rst
  ixpk= 1633, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1714,1715,1716,
 &end
#
# 106 VAL  QG1   107 PRO  HD3     3.89             (#peak  1661 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1661, nxpk= 0, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1714,1715,1716,
 &end
#
# 106 VAL  QG1   107 PRO  QD      3.40             (#peak  1633)
 &rst
  ixpk= 1633, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1714,1715,1716,
 igr2=1725,1726,
 &end
#
# 106 VAL  QG1   107 PRO  QG      4.40             (#peak  1628 #SUP  1.00)
 &rst
  ixpk= 1628, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1714,1715,1716,
 igr2=1728,1729,
 &end
#
# 106 VAL  QG1   108 SER  HN      4.31             (#peak  1636 #SUP  1.00)
 &rst
  ixpk= 1636, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1714,1715,1716,
 &end
#
# 106 VAL  QG1   120 MET  QE      4.00             (#peak  1629 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1629, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1714,1715,1716,
 igr2=1961,1962,1963,
 &end
#
# 106 VAL  QG2   107 PRO  HD2     4.89             (#peak  1622 #SUP  0.96  #QF  0.35)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1718,1719,1720,
 &end
#
# 106 VAL  QG2   107 PRO  HD3     4.89             (#peak  1663 #SUP  1.00)
 &rst
  ixpk= 1663, nxpk= 0, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1718,1719,1720,
 &end
#
# 106 VAL  QG2   107 PRO  QD      4.00             (#peak  1622)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1718,1719,1720,
 igr2=1725,1726,
 &end
#
# 106 VAL  QG2   108 SER  HN      3.60             (#peak  1617 #SUP  1.00)
 &rst
  ixpk= 1617, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1718,1719,1720,
 &end
#
# 106 VAL  QG2   109 PHE  HN      5.43             (#peak  1620 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1620, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1718,1719,1720,
 &end
#
# 106 VAL  QG2   109 PHE  QB      3.77             (#peak  1624 #SUP  0.98  #QF  0.94)
 &rst
  ixpk= 1624, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1718,1719,1720,
 igr2=1753,1754,
 &end
#
# 106 VAL  QG2   109 PHE  QD      3.32             (#peak  1619 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1619, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1718,1719,1720,
 igr2=1757,1765,
 &end
#
# 106 VAL  QG2   120 MET  QE      3.05             (#peak  1918 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1918, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1718,1719,1720,
 igr2=1961,1962,1963,
 &end
#
# 107 PRO  HD2   108 SER  HN      4.01             (#peak   717 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 717, nxpk= 0, iat=1725,1738, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 107 PRO  HD3   108 SER  HN      4.01             (#peak   716 #SUP  1.00)
 &rst
  ixpk= 716, nxpk= 0, iat=1726,1738, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 107 PRO  QB    108 SER  HN      3.72             (#peak   712)
 &rst
  ixpk= 712, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1731,1732,
 &end
#
# 107 PRO  QD    108 SER  HN      3.32             (#peak   717)
 &rst
  ixpk= 717, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1=1725,1726,
 &end
#
# 107 PRO  QG    108 SER  HN      3.55             (#peak   714 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 714, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1728,1729,
 &end
#
# 108 SER  HA    109 PHE  HN      3.15             (#peak   724 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 724, nxpk= 0, iat=1740,1749, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 108 SER  HN    109 PHE  HN      4.47             (#peak   721 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 721, nxpk= 0, iat=1738,1749, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 108 SER  QB    109 PHE  HN      3.31             (#peak   726)
 &rst
  ixpk= 726, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1742,1743,
 &end
#
# 109 PHE  HN    109 PHE  QD      4.05             (#peak   722 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 722, nxpk= 0, iat=1749,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1757,1765,
 &end
#
# 109 PHE  HN    110 SER  HN      4.62             (#peak   723 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 723, nxpk= 0, iat=1749,1769, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 109 PHE  HZ    111 VAL  QG1     4.94             (#peak  1714 #SUP  1.00)
 &rst
  ixpk= 1714, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1786,1787,1788,
 &end
#
# 109 PHE  HZ    111 VAL  QG2     3.73             (#peak  1731 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1731, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1790,1791,1792,
 &end
#
# 109 PHE  HZ    117 ILE  QD1     3.88             (#peak  1691 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1691, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1909,1910,1911,
 &end
#
# 109 PHE  HZ    117 ILE  QG2     4.70             (#peak  1980 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 1980, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1902,1903,1904,
 &end
#
# 109 PHE  QB    110 SER  HN      3.68             (#peak   899 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 899, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1753,1754,
 &end
#
# 109 PHE  QD    110 SER  HN      4.40             (#peak   733 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 733, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1757,1765,
 &end
#
# 109 PHE  QD    111 VAL  HA      4.63             (#peak  1704 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1704, nxpk= 0, iat=  -1,1782, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1757,1765,
 &end
#
# 109 PHE  QD    111 VAL  QG1     5.50             (#peak  1715 #SUP  0.99  #QF  0.49)
 &rst
  ixpk= 1715, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1757,1765,
 igr2=1786,1787,1788,
 &end
#
# 109 PHE  QD    111 VAL  QG2     4.20             (#peak  1732 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1732, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1757,1765,
 igr2=1790,1791,1792,
 &end
#
# 109 PHE  QD    117 ILE  QD1     3.66             (#peak  1817 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1817, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1757,1765,
 igr2=1909,1910,1911,
 &end
#
# 109 PHE  QD    120 MET  QE      3.58             (#peak  1911 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 1911, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1757,1765,
 igr2=1961,1962,1963,
 &end
#
# 109 PHE  QE    111 VAL  QG1     3.89             (#peak  1712 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1712, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1759,1763,
 igr2=1786,1787,1788,
 &end
#
# 109 PHE  QE    111 VAL  QG2     4.49             (#peak  2162 #SUP  0.98  #QF  0.31)
 &rst
  ixpk= 2162, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1759,1763,
 igr2=1790,1791,1792,
 &end
#
# 110 SER  HA    111 VAL  HN      3.51             (#peak   744 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 744, nxpk= 0, iat=1771,1780, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 110 SER  HA    111 VAL  QG2     4.56             (#peak  2117 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 2117, nxpk= 0, iat=1771,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1790,1791,1792,
 &end
#
# 110 SER  HN    110 SER  HB2     3.95             (#peak   736 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 736, nxpk= 0, iat=1769,1773, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 110 SER  HN    110 SER  HB3     3.95             (#peak   735 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 735, nxpk= 0, iat=1769,1774, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 111 VAL  HA    111 VAL  QG1     3.47             (#peak  1717 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1717, nxpk= 0, iat=1782,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1786,1787,1788,
 &end
#
# 111 VAL  HA    111 VAL  QG2     3.49             (#peak  1735 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1735, nxpk= 0, iat=1782,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1790,1791,1792,
 &end
#
# 111 VAL  HA    117 ILE  QD1     3.05             (#peak  1819 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1819, nxpk= 0, iat=1782,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1909,1910,1911,
 &end
#
# 111 VAL  HB    117 ILE  QD1     4.29             (#peak  1709 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 1709, nxpk= 0, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1909,1910,1911,
 &end
#
# 111 VAL  HN    111 VAL  HB      3.94             (#peak   741 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 741, nxpk= 0, iat=1780,1784, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 111 VAL  HN    111 VAL  QG1     4.12             (#peak  1710 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1710, nxpk= 0, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1786,1787,1788,
 &end
#
# 111 VAL  HN    111 VAL  QG2     3.23             (#peak  1726 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1726, nxpk= 0, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1790,1791,1792,
 &end
#
# 111 VAL  HN    112 LYS+ HN      4.44             (#peak   745 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 745, nxpk= 0, iat=1780,1796, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 111 VAL  HN    117 ILE  QD1     4.53             (#peak   738 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 738, nxpk= 0, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1909,1910,1911,
 &end
#
# 111 VAL  QG1   117 ILE  QD1     3.56             (#peak  1823 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1823, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1786,1787,1788,
 igr2=1909,1910,1911,
 &end
#
# 111 VAL  QG2   112 LYS+ HN      4.49             (#peak  1727 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1727, nxpk= 0, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1790,1791,1792,
 &end
#
# 111 VAL  QG2   117 ILE  QD1     3.75             (#peak  1742 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1742, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1790,1791,1792,
 igr2=1909,1910,1911,
 &end
#
# 112 LYS+ HB2   113 GLU- HN      4.72             (#peak   748 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 748, nxpk= 0, iat=1800,1818, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 112 LYS+ HB3   113 GLU- HN      4.72             (#peak   747 #SUP  1.00)
 &rst
  ixpk= 747, nxpk= 0, iat=1801,1818, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 112 LYS+ HN    113 GLU- HN      3.65             (#peak   754 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 754, nxpk= 0, iat=1796,1818, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 112 LYS+ QB    112 LYS+ QE      4.24             (#peak  2100)
 &rst
  ixpk= 2100, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1800,1801,
 igr2=1809,1810,
 &end
#
# 112 LYS+ QB    113 GLU- HN      4.11             (#peak   748)
 &rst
  ixpk= 748, nxpk= 0, iat=  -1,1818, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1800,1801,
 &end
#
# 112 LYS+ QG    113 GLU- HN      4.77             (#peak   746 #SUP  1.00  #QF  0.66)
 &rst
  ixpk= 746, nxpk= 0, iat=  -1,1818, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1803,1804,
 &end
#
# 113 GLU- HA    113 GLU- HG2     3.96             (#peak  1756 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1756, nxpk= 0, iat=1820,1825, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 113 GLU- HA    113 GLU- HG3     3.96             (#peak  1757 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1757, nxpk= 0, iat=1820,1826, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 113 GLU- HA    113 GLU- QG      3.47             (#peak  1756)
 &rst
  ixpk= 1756, nxpk= 0, iat=1820,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1825,1826,
 &end
#
# 113 GLU- HA    114 HIS  HN      3.18             (#peak   756 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 756, nxpk= 0, iat=1820,1833, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 113 GLU- HG2   114 HIS  HN      5.37             (#peak   759 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 759, nxpk= 0, iat=1825,1833, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 113 GLU- HG3   114 HIS  HN      5.37             (#peak   761 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 761, nxpk= 0, iat=1826,1833, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 113 GLU- HN    113 GLU- HB2     4.16             (#peak  1751 #SUP  0.96  #QF  0.95)
 &rst
  ixpk= 1751, nxpk= 0, iat=1818,1822, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 113 GLU- HN    113 GLU- HB3     4.16             (#peak   751 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 751, nxpk= 0, iat=1818,1823, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 113 GLU- HN    113 GLU- HG2     3.86             (#peak   750 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 750, nxpk= 0, iat=1818,1825, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 113 GLU- HN    113 GLU- HG3     3.86             (#peak   749 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 749, nxpk= 0, iat=1818,1826, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 113 GLU- HN    113 GLU- QB      3.59             (#peak   751)
 &rst
  ixpk= 751, nxpk= 0, iat=1818,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1822,1823,
 &end
#
# 113 GLU- HN    113 GLU- QG      3.22             (#peak   750)
 &rst
  ixpk= 750, nxpk= 0, iat=1818,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1825,1826,
 &end
#
# 113 GLU- HN    117 ILE  QD1     4.07             (#peak  1814 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 1814, nxpk= 0, iat=1818,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1909,1910,1911,
 &end
#
# 113 GLU- QG    114 HIS  HN      4.69             (#peak   761)
 &rst
  ixpk= 761, nxpk= 0, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1825,1826,
 &end
#
# 114 HIS  HA    117 ILE  HN      4.55             (#peak   669 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 669, nxpk= 0, iat=1835,1896, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 114 HIS  HA    117 ILE  QD1     3.66             (#peak  1818 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 1818, nxpk= 0, iat=1835,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1909,1910,1911,
 &end
#
# 114 HIS  HA    117 ILE  QG2     4.72             (#peak  1982 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1982, nxpk= 0, iat=1835,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1902,1903,1904,
 &end
#
# 114 HIS  HN    114 HIS  HB2     3.87             (#peak   902 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 902, nxpk= 0, iat=1833,1837, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 114 HIS  HN    114 HIS  HB3     3.87             (#peak   758 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 758, nxpk= 0, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 114 HIS  HN    115 ARG+ HN      4.27             (#peak   755 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 755, nxpk= 0, iat=1833,1850, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 114 HIS  HN    116 LYS+ HN      4.87             (#peak   771 #SUP  0.54  #QF  0.54)
 &rst
  ixpk= 771, nxpk= 0, iat=1833,1874, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 114 HIS  HN    117 ILE  QD1     4.83             (#peak   762 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 762, nxpk= 0, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1909,1910,1911,
 &end
#
# 114 HIS  QB    115 ARG+ HN      4.39             (#peak   767)
 &rst
  ixpk= 767, nxpk= 0, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1837,1838,
 &end
#
# 114 HIS  QB    118 TYR  QD      5.34             (#peak   830)
 &rst
  ixpk= 830, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1837,1838,
 igr2=1923,1932,
 &end
#
# 114 HIS  QB    118 TYR  QE      4.52             (#peak  1852)
 &rst
  ixpk= 1852, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1837,1838,
 igr2=1925,1930,
 &end
#
# 115 ARG+ HA    115 ARG+ QD      4.54             (#peak  1772 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1772, nxpk= 0, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1860,1861,
 &end
#
# 115 ARG+ HA    115 ARG+ QG      3.90             (#peak  2283 #SUP  0.98  #QF  0.52)
 &rst
  ixpk= 2283, nxpk= 0, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1857,1858,
 &end
#
# 115 ARG+ HA    118 TYR  HN      3.79             (#peak   786 #SUP  0.44  #QF  0.44)
 &rst
  ixpk= 786, nxpk= 0, iat=1852,1915, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 115 ARG+ HA    118 TYR  QB      4.29             (#peak  1771)
 &rst
  ixpk= 1771, nxpk= 0, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1919,1920,
 &end
#
# 115 ARG+ HA    118 TYR  QD      4.13             (#peak  1843 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1843, nxpk= 0, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1923,1932,
 &end
#
# 115 ARG+ HN    115 ARG+ QB      3.72             (#peak   768 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 768, nxpk= 0, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1854,1855,
 &end
#
# 115 ARG+ HN    115 ARG+ QG      4.30             (#peak   900 #SUP  0.60  #QF  0.47)
 &rst
  ixpk= 900, nxpk= 0, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1857,1858,
 &end
#
# 115 ARG+ HN    116 LYS+ HN      4.39             (#peak   770 #SUP  0.97  #QF  0.87)
 &rst
  ixpk= 770, nxpk= 0, iat=1850,1874, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 115 ARG+ QB    116 LYS+ HA      4.81             (#peak  1395 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 1395, nxpk= 0, iat=  -1,1876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1854,1855,
 &end
#
# 115 ARG+ QB    116 LYS+ HN      3.88             (#peak   774 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 774, nxpk= 0, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1854,1855,
 &end
#
# 115 ARG+ QB    118 TYR  QD      4.65             (#peak  1847 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1847, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1854,1855,
 igr2=1923,1932,
 &end
#
# 116 LYS+ HA    116 LYS+ HG2     4.11             (#peak  1780 #SUP  1.00)
 &rst
  ixpk= 1780, nxpk= 0, iat=1876,1881, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 116 LYS+ HA    116 LYS+ HG3     4.11             (#peak  1779 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1779, nxpk= 0, iat=1876,1882, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 116 LYS+ HA    116 LYS+ QG      3.60             (#peak  1779)
 &rst
  ixpk= 1779, nxpk= 0, iat=1876,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1881,1882,
 &end
#
# 116 LYS+ HA    119 THR  HB      4.37             (#peak  1777 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 1777, nxpk= 0, iat=1876,1940, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 116 LYS+ HA    119 THR  QG2     3.36             (#peak  1137 #SUP  1.00  #QF  0.25)
 &rst
  ixpk= 1137, nxpk= 0, iat=1876,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1942,1943,1944,
 &end
#
# 116 LYS+ HG2   116 LYS+ QE      3.81             (#peak  1788 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1788, nxpk= 0, iat=1881,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1887,1888,
 &end
#
# 116 LYS+ HG2   117 ILE  HN      5.50             (#peak  1785 #SUP  1.00  #QF  0.88)
 &rst
  ixpk= 1785, nxpk= 0, iat=1881,1896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 116 LYS+ HG3   116 LYS+ QE      3.81             (#peak  1789 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1789, nxpk= 0, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1887,1888,
 &end
#
# 116 LYS+ HG3   117 ILE  HN      5.50             (#peak  1786 #SUP  0.95  #QF  0.87)
 &rst
  ixpk= 1786, nxpk= 0, iat=1882,1896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 116 LYS+ HN    116 LYS+ HG2     5.17             (#peak  1785 #SUP  1.00  #QF  0.88)
 &rst
  ixpk= 1785, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 116 LYS+ HN    116 LYS+ HG3     5.17             (#peak  1786 #SUP  0.95  #QF  0.87)
 &rst
  ixpk= 1786, nxpk= 0, iat=1874,1882, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 116 LYS+ HN    116 LYS+ QB      3.50             (#peak   773 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 773, nxpk= 0, iat=1874,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1878,1879,
 &end
#
# 116 LYS+ HN    116 LYS+ QG      4.44             (#peak  1786)
 &rst
  ixpk= 1786, nxpk= 0, iat=1874,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1881,1882,
 &end
#
# 116 LYS+ HN    117 ILE  HG13    5.31             (#peak   775 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 775, nxpk= 0, iat=1874,1907, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 116 LYS+ HN    119 THR  HN      5.39             (#peak   797 #SUP  0.84  #QF  0.22)
 &rst
  ixpk= 797, nxpk= 0, iat=1874,1936, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 116 LYS+ QB    117 ILE  HN      3.85             (#peak  1782 #SUP  0.98  #QF  0.90)
 &rst
  ixpk= 1782, nxpk= 0, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1878,1879,
 &end
#
# 116 LYS+ QG    116 LYS+ QE      3.34             (#peak  1789)
 &rst
  ixpk= 1789, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=1881,1882,
 igr2=1887,1888,
 &end
#
# 116 LYS+ QG    117 ILE  HN      4.76             (#peak  1786)
 &rst
  ixpk= 1786, nxpk= 0, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1881,1882,
 &end
#
# 117 ILE  HA    117 ILE  HG12    4.09             (#peak  1809 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1809, nxpk= 0, iat=1898,1906, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 117 ILE  HA    117 ILE  HG13    3.89             (#peak  1808 #SUP  1.00)
 &rst
  ixpk= 1808, nxpk= 0, iat=1898,1907, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 117 ILE  HA    117 ILE  QD1     3.92             (#peak  1820 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1820, nxpk= 0, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1909,1910,1911,
 &end
#
# 117 ILE  HA    117 ILE  QG2     3.18             (#peak  1983 #SUP  1.00)
 &rst
  ixpk= 1983, nxpk= 0, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1902,1903,1904,
 &end
#
# 117 ILE  HA    120 MET  HB2     4.09             (#peak  2294 #SUP  0.98  #QF  0.62)
 &rst
  ixpk= 2294, nxpk= 0, iat=1898,1954, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 117 ILE  HA    120 MET  HB3     4.67             (#peak  2291 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 2291, nxpk= 0, iat=1898,1955, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 117 ILE  HA    120 MET  HN      4.15             (#peak  1799 #SUP  1.00)
 &rst
  ixpk= 1799, nxpk= 0, iat=1898,1950, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 117 ILE  HA    120 MET  QE      3.01             (#peak  1913 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1913, nxpk= 0, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1961,1962,1963,
 &end
#
# 117 ILE  HA    121 MET  HN      5.12             (#peak  1798 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 1798, nxpk= 0, iat=1898,1967, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 117 ILE  HB    117 ILE  QD1     3.24             (#peak  1821 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1821, nxpk= 0, iat=1900,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1909,1910,1911,
 &end
#
# 117 ILE  HB    118 TYR  HN      3.65             (#peak   791 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 791, nxpk= 0, iat=1900,1915, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 117 ILE  HG12  120 MET  QE      3.48             (#peak  1916 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 1916, nxpk= 0, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1961,1962,1963,
 &end
#
# 117 ILE  HN    117 ILE  HB      3.38             (#peak   780 #SUP  1.00)
 &rst
  ixpk= 780, nxpk= 0, iat=1896,1900, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 117 ILE  HN    117 ILE  HG12    4.02             (#peak  1812 #SUP  1.00)
 &rst
  ixpk= 1812, nxpk= 0, iat=1896,1906, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 117 ILE  HN    117 ILE  HG13    3.43             (#peak   781 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 781, nxpk= 0, iat=1896,1907, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 117 ILE  HN    117 ILE  QD1     3.57             (#peak  1813 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1813, nxpk= 0, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1909,1910,1911,
 &end
#
# 117 ILE  HN    117 ILE  QG2     3.88             (#peak  1977 #SUP  1.00)
 &rst
  ixpk= 1977, nxpk= 0, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1902,1903,1904,
 &end
#
# 117 ILE  HN    118 TYR  HN      3.53             (#peak   784 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 784, nxpk= 0, iat=1896,1915, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 117 ILE  HN    119 THR  HN      5.50             (#peak   797 #SUP  0.84  #QF  0.22)
 &rst
  ixpk= 797, nxpk= 0, iat=1896,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 ILE  QD1   118 TYR  HN      4.78             (#peak   794 #SUP  1.00)
 &rst
  ixpk= 794, nxpk= 0, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1909,1910,1911,
 &end
#
# 117 ILE  QG2   117 ILE  HG12    3.81             (#peak  1810 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1810, nxpk= 0, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   117 ILE  HG13    3.41             (#peak  1989 #SUP  1.00)
 &rst
  ixpk= 1989, nxpk= 0, iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   117 ILE  QD1     2.79             (#peak  1991 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1991, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1902,1903,1904,
 igr2=1909,1910,1911,
 &end
#
# 117 ILE  QG2   118 TYR  HA      3.98             (#peak  1981 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1981, nxpk= 0, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   118 TYR  HN      4.05             (#peak   792 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 792, nxpk= 0, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   118 TYR  QD      4.09             (#peak  1978 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 1978, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1902,1903,1904,
 igr2=1923,1932,
 &end
#
# 117 ILE  QG2   120 MET  HB2     3.97             (#peak  1987 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1987, nxpk= 0, iat=  -1,1954, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   120 MET  HN      4.85             (#peak   816 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 816, nxpk= 0, iat=  -1,1950, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   120 MET  QE      3.66             (#peak  1917 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1917, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1902,1903,1904,
 igr2=1961,1962,1963,
 &end
#
# 117 ILE  QG2   121 MET  HG2     4.16             (#peak  1903 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1903, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   121 MET  HG3     4.16             (#peak  1984 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1984, nxpk= 0, iat=  -1,1975, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   121 MET  HN      4.45             (#peak  1976 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1976, nxpk= 0, iat=  -1,1967, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1902,1903,1904,
 &end
#
# 117 ILE  QG2   121 MET  QB      4.02             (#peak  1986)
 &rst
  ixpk= 1986, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1902,1903,1904,
 igr2=1971,1972,
 &end
#
# 117 ILE  QG2   121 MET  QG      3.36             (#peak  1984)
 &rst
  ixpk= 1984, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1902,1903,1904,
 igr2=1974,1975,
 &end
#
# 118 TYR  HA    118 TYR  QD      3.73             (#peak  1834 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1834, nxpk= 0, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1923,1932,
 &end
#
# 118 TYR  HA    118 TYR  QE      4.57             (#peak  1851 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1851, nxpk= 0, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1925,1930,
 &end
#
# 118 TYR  HA    121 MET  HB2     4.69             (#peak  1839 #SUP  0.22  #QF  0.22)
 &rst
  ixpk= 1839, nxpk= 0, iat=1917,1971, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 118 TYR  HA    121 MET  HB3     4.69             (#peak  1838 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1838, nxpk= 0, iat=1917,1972, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 118 TYR  HA    121 MET  HN      4.05             (#peak   821 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 821, nxpk= 0, iat=1917,1967, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 118 TYR  HA    121 MET  QB      3.89             (#peak  1839)
 &rst
  ixpk= 1839, nxpk= 0, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1971,1972,
 &end
#
# 118 TYR  HA    121 MET  QG      4.48             (#peak  1837)
 &rst
  ixpk= 1837, nxpk= 0, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1974,1975,
 &end
#
# 118 TYR  HB2   119 THR  HN      4.18             (#peak   802 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 802, nxpk= 0, iat=1919,1936, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 118 TYR  HB3   119 THR  HN      4.18             (#peak   801 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 801, nxpk= 0, iat=1920,1936, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 118 TYR  HN    118 TYR  HB2     3.69             (#peak   790 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 790, nxpk= 0, iat=1915,1919, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 118 TYR  HN    118 TYR  HB3     3.69             (#peak   789 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 789, nxpk= 0, iat=1915,1920, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 118 TYR  HN    118 TYR  QB      3.21             (#peak   790)
 &rst
  ixpk= 790, nxpk= 0, iat=1915,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1919,1920,
 &end
#
# 118 TYR  HN    118 TYR  QD      3.74             (#peak   785 #SUP  1.00)
 &rst
  ixpk= 785, nxpk= 0, iat=1915,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1923,1932,
 &end
#
# 118 TYR  HN    119 THR  HN      3.58             (#peak   795 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 795, nxpk= 0, iat=1915,1936, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 118 TYR  QB    119 THR  HN      3.67             (#peak   802)
 &rst
  ixpk= 802, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1919,1920,
 &end
#
# 118 TYR  QD    119 THR  HN      4.66             (#peak   798 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 798, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1923,1932,
 &end
#
# 118 TYR  QE    121 MET  QG      5.34             (#peak  1853)
 &rst
  ixpk= 1853, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1925,1930,
 igr2=1974,1975,
 &end
#
# 119 THR  HA    119 THR  QG2     3.42             (#peak  1862 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1862, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1942,1943,1944,
 &end
#
# 119 THR  HA    122 ALA  QB      2.98             (#peak  2329 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 2329, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1988,1989,1990,
 &end
#
# 119 THR  HB    120 MET  HN      4.23             (#peak   807 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 807, nxpk= 0, iat=1940,1950, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 119 THR  HB    122 ALA  QB      5.40             (#peak   670 #SUP  0.99  #QF  0.89)
 &rst
  ixpk= 670, nxpk= 0, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1988,1989,1990,
 &end
#
# 119 THR  HN    119 THR  HB      3.38             (#peak   799 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 799, nxpk= 0, iat=1936,1940, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 119 THR  HN    119 THR  QG2     3.94             (#peak  1140 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1140, nxpk= 0, iat=1936,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1942,1943,1944,
 &end
#
# 119 THR  HN    120 MET  HB2     5.03             (#peak   803 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 803, nxpk= 0, iat=1936,1954, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 119 THR  HN    120 MET  HN      3.46             (#peak   806 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 806, nxpk= 0, iat=1936,1950, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 119 THR  QG2   120 MET  HG2     4.19             (#peak  1142 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 1142, nxpk= 0, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1942,1943,1944,
 &end
#
# 119 THR  QG2   120 MET  HG3     4.19             (#peak  1141 #SUP  0.51  #QF  0.51)
 &rst
  ixpk= 1141, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1942,1943,1944,
 &end
#
# 119 THR  QG2   120 MET  HN      3.93             (#peak  1139 #SUP  1.00)
 &rst
  ixpk= 1139, nxpk= 0, iat=  -1,1950, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1942,1943,1944,
 &end
#
# 119 THR  QG2   120 MET  QG      3.67             (#peak  1141)
 &rst
  ixpk= 1141, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1942,1943,1944,
 igr2=1957,1958,
 &end
#
# 119 THR  QG2   122 ALA  HN      5.17             (#peak   272 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 272, nxpk= 0, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1942,1943,1944,
 &end
#
# 120 MET  HA    120 MET  HG2     4.03             (#peak  1870 #SUP  0.99  #QF  0.36)
 &rst
  ixpk= 1870, nxpk= 0, iat=1952,1957, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 120 MET  HA    120 MET  HG3     4.03             (#peak  1874 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1874, nxpk= 0, iat=1952,1958, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 120 MET  HA    120 MET  QE      4.56             (#peak  1912 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1912, nxpk= 0, iat=1952,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1961,1962,1963,
 &end
#
# 120 MET  HB2   121 MET  HN      3.73             (#peak   825 #SUP  0.92  #QF  0.72)
 &rst
  ixpk= 825, nxpk= 0, iat=1954,1967, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 120 MET  HB3   121 MET  HN      3.96             (#peak   826 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 826, nxpk= 0, iat=1955,1967, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 120 MET  HG2   120 MET  QE      3.51             (#peak  1915 #SUP  1.00)
 &rst
  ixpk= 1915, nxpk= 0, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1961,1962,1963,
 &end
#
# 120 MET  HG3   120 MET  QE      3.51             (#peak  1914 #SUP  1.00)
 &rst
  ixpk= 1914, nxpk= 0, iat=1958,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1961,1962,1963,
 &end
#
# 120 MET  HN    120 MET  HB2     3.51             (#peak   813 #SUP  1.00)
 &rst
  ixpk= 813, nxpk= 0, iat=1950,1954, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 120 MET  HN    120 MET  HB3     3.73             (#peak   814 #SUP  1.00)
 &rst
  ixpk= 814, nxpk= 0, iat=1950,1955, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 120 MET  HN    120 MET  HG2     3.96             (#peak   812 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 812, nxpk= 0, iat=1950,1957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 120 MET  HN    120 MET  HG3     3.96             (#peak   811 #SUP  1.00)
 &rst
  ixpk= 811, nxpk= 0, iat=1950,1958, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 120 MET  HN    120 MET  QE      4.39             (#peak  1908 #SUP  1.00)
 &rst
  ixpk= 1908, nxpk= 0, iat=1950,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1961,1962,1963,
 &end
#
# 120 MET  HN    120 MET  QG      3.34             (#peak   811)
 &rst
  ixpk= 811, nxpk= 0, iat=1950,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1957,1958,
 &end
#
# 120 MET  HN    121 MET  HN      3.40             (#peak   805 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 805, nxpk= 0, iat=1950,1967, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 121 MET  HA    121 MET  QE      4.56             (#peak  1923 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1923, nxpk= 0, iat=1969,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1978,1979,1980,
 &end
#
# 121 MET  HA    122 ALA  QB      5.50             (#peak   670 #SUP  0.99  #QF  0.89)
 &rst
  ixpk= 670, nxpk= 0, iat=1969,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1988,1989,1990,
 &end
#
# 121 MET  HA    124 MET  HN      4.32             (#peak   282 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 282, nxpk= 0, iat=1969,2005, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 121 MET  HA    124 MET  QE      3.41             (#peak   691 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 691, nxpk= 0, iat=1969,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=2016,2017,2018,
 &end
#
# 121 MET  HA    124 MET  QG      4.46             (#peak   678 #SUP  0.78  #QF  0.42)
 &rst
  ixpk= 678, nxpk= 0, iat=1969,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=2012,2013,
 &end
#
# 121 MET  HN    121 MET  HB2     4.06             (#peak   825 #SUP  0.92  #QF  0.72)
 &rst
  ixpk= 825, nxpk= 0, iat=1967,1971, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 121 MET  HN    121 MET  HB3     4.06             (#peak   824 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 824, nxpk= 0, iat=1967,1972, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 121 MET  HN    121 MET  HG2     4.03             (#peak   823 #SUP  1.00)
 &rst
  ixpk= 823, nxpk= 0, iat=1967,1974, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 121 MET  HN    121 MET  HG3     4.03             (#peak   822 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 822, nxpk= 0, iat=1967,1975, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 121 MET  HN    121 MET  QB      3.36             (#peak   824)
 &rst
  ixpk= 824, nxpk= 0, iat=1967,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1971,1972,
 &end
#
# 121 MET  HN    121 MET  QG      3.51             (#peak   823)
 &rst
  ixpk= 823, nxpk= 0, iat=1967,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1974,1975,
 &end
#
# 121 MET  HN    122 ALA  HN      3.33             (#peak   264 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 264, nxpk= 0, iat=1967,1984, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 121 MET  HN    122 ALA  QB      4.28             (#peak   665 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 665, nxpk= 0, iat=1967,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1988,1989,1990,
 &end
#
# 121 MET  HN    123 SER  HN      4.81             (#peak   765 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 765, nxpk= 0, iat=1967,1994, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 121 MET  HN    124 MET  QE      4.71             (#peak   683 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 683, nxpk= 0, iat=1967,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=2016,2017,2018,
 &end
#
# 121 MET  QB    122 ALA  HN      3.98             (#peak   269)
 &rst
  ixpk= 269, nxpk= 0, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1971,1972,
 &end
#
# 121 MET  QG    121 MET  QE      3.05             (#peak  1887)
 &rst
  ixpk= 1887, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1974,1975,
 igr2=1978,1979,1980,
 &end
#
# 121 MET  QG    122 ALA  HN      5.29             (#peak   268)
 &rst
  ixpk= 268, nxpk= 0, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1974,1975,
 &end
#
# 122 ALA  HA    125 THR  HN      4.28             (#peak   290 #SUP  0.54  #QF  0.54)
 &rst
  ixpk= 290, nxpk= 0, iat=1986,2022, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 122 ALA  HA    125 THR  QG2     4.85             (#peak   664 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 664, nxpk= 0, iat=1986,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=2028,2029,2030,
 &end
#
# 122 ALA  HN    122 ALA  QB      2.78             (#peak   666 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 666, nxpk= 0, iat=1984,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1988,1989,1990,
 &end
#
# 122 ALA  HN    123 SER  HN      3.60             (#peak   265 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 265, nxpk= 0, iat=1984,1994, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 122 ALA  HN    124 MET  QG      5.50             (#peak   268 #SUP  0.88  #QF  0.84)
 &rst
  ixpk= 268, nxpk= 0, iat=1984,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2012,2013,
 &end
#
# 122 ALA  QB    123 SER  HA      4.58             (#peak   669 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 669, nxpk= 0, iat=  -1,1996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1988,1989,1990,
 &end
#
# 122 ALA  QB    123 SER  HN      3.71             (#peak   277 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 277, nxpk= 0, iat=  -1,1994, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1988,1989,1990,
 &end
#
# 122 ALA  QB    124 MET  HN      4.74             (#peak   667 #SUP  0.45  #QF  0.45)
 &rst
  ixpk= 667, nxpk= 0, iat=  -1,2005, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1988,1989,1990,
 &end
#
# 123 SER  HA    125 THR  HN      4.52             (#peak   292 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 292, nxpk= 0, iat=1996,2022, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 123 SER  HN    123 SER  QB      3.52             (#peak   276 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 276, nxpk= 0, iat=1994,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1998,1999,
 &end
#
# 123 SER  HN    124 MET  HN      3.65             (#peak   278 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 278, nxpk= 0, iat=1994,2005, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 123 SER  QB    124 MET  HN      4.14             (#peak   283 #SUP  0.99  #QF  0.77)
 &rst
  ixpk= 283, nxpk= 0, iat=  -1,2005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1998,1999,
 &end
#
# 123 SER  QB    124 MET  QG      5.13             (#peak   679 #SUP  0.78  #QF  0.48)
 &rst
  ixpk= 679, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1998,1999,
 igr2=2012,2013,
 &end
#
# 124 MET  HB2   125 THR  HN      4.54             (#peak   294 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 294, nxpk= 0, iat=2009,2022, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 124 MET  HB3   125 THR  HN      4.54             (#peak   886 #SUP  1.00)
 &rst
  ixpk= 886, nxpk= 0, iat=2010,2022, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 124 MET  HN    124 MET  HB2     3.87             (#peak   286 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 286, nxpk= 0, iat=2005,2009, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 124 MET  HN    124 MET  HB3     3.87             (#peak   285 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 285, nxpk= 0, iat=2005,2010, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 124 MET  HN    124 MET  QB      3.33             (#peak   286)
 &rst
  ixpk= 286, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=2009,2010,
 &end
#
# 124 MET  HN    124 MET  QE      4.62             (#peak   686 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 686, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=2016,2017,2018,
 &end
#
# 124 MET  HN    124 MET  QG      3.60             (#peak   284 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 284, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2012,2013,
 &end
#
# 124 MET  HN    125 THR  HN      3.31             (#peak   289 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 289, nxpk= 0, iat=2005,2022, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 124 MET  HN    125 THR  QG2     4.42             (#peak   287 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 287, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=2028,2029,2030,
 &end
#
# 124 MET  QB    124 MET  QE      4.06             (#peak   695)
 &rst
  ixpk= 695, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=2009,2010,
 igr2=2016,2017,2018,
 &end
#
# 124 MET  QB    125 THR  QG2     4.04             (#peak  2332)
 &rst
  ixpk= 2332, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2009,2010,
 igr2=2028,2029,2030,
 &end
#
# 124 MET  QG    124 MET  QE      2.94             (#peak   694 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 694, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=2012,2013,
 igr2=2016,2017,2018,
 &end
#
# 124 MET  QG    125 THR  HN      4.68             (#peak   293 #SUP  1.00)
 &rst
  ixpk= 293, nxpk= 0, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=2012,2013,
 &end
#
# 124 MET  QG    125 THR  QG2     4.58             (#peak   704 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 704, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2012,2013,
 igr2=2028,2029,2030,
 &end
#
# 125 THR  HA    125 THR  QG2     3.95             (#peak   700 #SUP  1.00)
 &rst
  ixpk= 700, nxpk= 0, iat=2024,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=2028,2029,2030,
 &end
#
# 125 THR  HN    125 THR  HG1     4.41             (#peak   887 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 887, nxpk= 0, iat=2022,2032, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 125 THR  HN    125 THR  QG2     3.66             (#peak   295 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 295, nxpk= 0, iat=2022,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=2028,2029,2030,
 &end
#
# 125 THR  HN    126 GLY  HN      4.30             (#peak   288 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 288, nxpk= 0, iat=2022,2036, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 129 GLN  HN    129 GLN  QG      4.77             (#peak   878 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 878, nxpk= 0, iat=2067,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=2074,2075,
 &end
# 2107 atoms read from pdb file leap.pdb.
# 96 SER PHI:  (95 CYS C)-(96 SER N)-(96 SER CA)-(96 SER C) -120.0   0.0
 &rst     iat =  1565,  1567,  1569,  1576,
   r1 = -121.0, r2 = -120.0, r3 =   0.0, r4 =   1.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 96 SER PSI:  (96 SER N)-(96 SER CA)-(96 SER C)-(97 ASN N)  60.0 180.0
 &rst     iat =  1567,  1569,  1576,  1578,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end
# 97 ASN PHI:  (96 SER C)-(97 ASN N)-(97 ASN CA)-(97 ASN C)   0.0 120.0
 &rst     iat =  1576,  1578,  1580,  1590,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 &end
# 97 ASN PSI:  (97 ASN N)-(97 ASN CA)-(97 ASN C)-(98 ASP N)   0.0 120.0
 &rst     iat =  1578,  1580,  1590,  1592,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 &end
# 98 ASP PHI:  (97 ASN C)-(98 ASP N)-(98 ASP CA)-(98 ASP C) -120.0   0.0
 &rst     iat =  1590,  1592,  1594,  1602,
   r1 = -121.0, r2 = -120.0, r3 =   0.0, r4 =   1.0,
 &end
# 98 ASP PSI:  (98 ASP N)-(98 ASP CA)-(98 ASP C)-(99 LEU N)  60.0 180.0
 &rst     iat =  1592,  1594,  1602,  1604,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET -11           H1       MET -11   0.634  -0.742  22.017
    2    H2   MET -11           H2       MET -11   2.006  -1.249  22.751
    3    H3   MET -11           H3       MET -11   0.945  -2.342  22.141
    4    HA   MET -11           HA       MET -11   2.502  -0.411  20.556
    5    HB2  MET -11           HB2      MET -11   2.842  -3.426  20.845
    6    HB3  MET -11           HB3      MET -11   3.615  -2.459  19.592
    7    HG2  MET -11           HG2      MET -11   4.020  -2.157  22.588
    8    HG3  MET -11           HG3      MET -11   5.149  -2.874  21.451
    9    HE1  MET -11           HE1      MET -11   5.450  -1.058  18.987
   10    HE2  MET -11           HE2      MET -11   6.667   0.114  19.531
   11    HE3  MET -11           HE3      MET -11   6.827  -1.598  19.973
   12    HA   PRO -10           HA       PRO -10  -0.597  -1.033  17.439
   13    HB2  PRO -10           HB2      PRO -10   0.741  -0.339  15.159
   14    HB3  PRO -10           HB3      PRO -10   0.289   0.845  16.423
   15    HG2  PRO -10           HG2      PRO -10   2.957  -0.567  16.081
   16    HG3  PRO -10           HG3      PRO -10   2.656   1.191  16.278
   17    HD2  PRO -10           HD2      PRO -10   3.326  -0.371  18.386
   18    HD3  PRO -10           HD3      PRO -10   2.122   0.939  18.566
   19    H    ARG  -9           H        ARG  -9  -1.142  -2.343  15.615
   20    HA   ARG  -9           HA       ARG  -9   0.542  -4.788  15.178
   21    HB2  ARG  -9           HB2      ARG  -9  -2.413  -4.726  15.881
   22    HB3  ARG  -9           HB3      ARG  -9  -1.572  -6.138  15.236
   23    HG2  ARG  -9           HG2      ARG  -9   0.057  -5.983  17.170
   24    HG3  ARG  -9           HG3      ARG  -9  -1.009  -4.756  17.883
   25    HD2  ARG  -9           HD2      ARG  -9  -2.889  -6.370  17.835
   26    HD3  ARG  -9           HD3      ARG  -9  -1.849  -7.591  17.103
   27    HE   ARG  -9           HE       ARG  -9  -1.867  -6.680  19.907
   28   HH11  ARG  -9          HH11      ARG  -9  -0.035  -8.598  17.549
   29   HH12  ARG  -9          HH12      ARG  -9   0.678  -9.553  18.817
   30   HH21  ARG  -9          HH21      ARG  -9  -0.856  -7.932  21.419
   31   HH22  ARG  -9          HH22      ARG  -9   0.236  -9.191  20.925
   32    H    PHE  -8           H        PHE  -8  -0.711  -2.266  13.499
   33    HA   PHE  -8           HA       PHE  -8  -1.936  -3.329  11.280
   34    HB2  PHE  -8           HB2      PHE  -8  -1.877  -1.061  11.287
   35    HB3  PHE  -8           HB3      PHE  -8  -0.152  -0.975  11.633
   36    HD1  PHE  -8           HD2      PHE  -8  -2.630  -1.705   8.941
   37    HD2  PHE  -8           HD1      PHE  -8   1.513  -0.976   9.898
   38    HE1  PHE  -8           HE2      PHE  -8  -2.058  -1.719   6.520
   39    HE2  PHE  -8           HE1      PHE  -8   2.080  -1.032   7.485
   40    HZ   PHE  -8           HZ       PHE  -8   0.300  -1.433   5.796
   41    H    TRP  -7           H        TRP  -7   1.617  -3.318  11.606
   42    HA   TRP  -7           HA       TRP  -7   2.056  -4.436   9.019
   43    HB2  TRP  -7           HB2      TRP  -7   3.754  -3.200  10.181
   44    HB3  TRP  -7           HB3      TRP  -7   3.797  -4.379  11.490
   45    HD1  TRP  -7           HD1      TRP  -7   5.120  -6.605  11.121
   46    HE1  TRP  -7           HE1      TRP  -7   6.696  -7.511   9.311
   47    HE3  TRP  -7           HE3      TRP  -7   4.215  -3.139   7.456
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.395  -6.880   6.585
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.341  -3.347   5.242
   50    HH2  TRP  -7           HH2      TRP  -7   6.908  -5.201   4.797
   51    H    GLU  -6           H        GLU  -6   1.235  -6.055  12.049
   52    HA   GLU  -6           HA       GLU  -6   2.003  -8.732  11.239
   53    HB2  GLU  -6           HB2      GLU  -6  -0.185  -7.855  13.179
   54    HB3  GLU  -6           HB3      GLU  -6   0.515  -9.468  13.039
   55    HG2  GLU  -6           HG2      GLU  -6   2.739  -8.562  13.682
   56    HG3  GLU  -6           HG3      GLU  -6   2.026  -6.959  13.889
   57    H    TYR  -5           H        TYR  -5  -0.895  -6.735  10.751
   58    HA   TYR  -5           HA       TYR  -5  -2.343  -8.792   9.291
   59    HB2  TYR  -5           HB2      TYR  -5  -2.837  -5.848   9.712
   60    HB3  TYR  -5           HB3      TYR  -5  -3.775  -6.811   8.585
   61    HD1  TYR  -5           HD1      TYR  -5  -5.175  -8.692   9.304
   62    HD2  TYR  -5           HD2      TYR  -5  -3.130  -6.159  12.136
   63    HE1  TYR  -5           HE1      TYR  -5  -6.618  -9.564  11.118
   64    HE2  TYR  -5           HE2      TYR  -5  -4.581  -7.035  13.963
   65    HH   TYR  -5           HH       TYR  -5  -7.085  -9.535  13.379
   66    H    TRP  -4           H        TRP  -4  -0.379  -6.019   8.301
   67    HA   TRP  -4           HA       TRP  -4  -0.775  -6.304   5.473
   68    HB2  TRP  -4           HB2      TRP  -4   0.174  -4.339   6.846
   69    HB3  TRP  -4           HB3      TRP  -4   1.700  -5.221   6.887
   70    HD1  TRP  -4           HD1      TRP  -4   3.090  -5.337   4.608
   71    HE1  TRP  -4           HE1      TRP  -4   2.877  -4.142   2.338
   72    HE3  TRP  -4           HE3      TRP  -4  -1.666  -3.540   5.083
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.812  -2.811   0.827
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.780  -2.414   3.174
   75    HH2  TRP  -4           HH2      TRP  -4  -1.565  -2.028   1.057
   76    H    LEU  -3           H        LEU  -3   1.684  -7.782   7.656
   77    HA   LEU  -3           HA       LEU  -3   3.249  -9.007   5.693
   78    HB2  LEU  -3           HB2      LEU  -3   3.736  -8.822   8.136
   79    HB3  LEU  -3           HB3      LEU  -3   2.489 -10.028   8.461
   80    HG   LEU  -3           HG       LEU  -3   3.831 -11.705   7.133
   81   HD11  LEU  -3          HD11      LEU  -3   5.111 -10.180   5.685
   82   HD12  LEU  -3          HD12      LEU  -3   6.226 -11.120   6.682
   83   HD13  LEU  -3          HD13      LEU  -3   5.864  -9.428   7.108
   84   HD21  LEU  -3          HD21      LEU  -3   5.307 -10.336   9.419
   85   HD22  LEU  -3          HD22      LEU  -3   5.570 -12.000   8.844
   86   HD23  LEU  -3          HD23      LEU  -3   4.024 -11.555   9.585
   87    H    ARG  -2           H        ARG  -2   0.039 -10.014   6.855
   88    HA   ARG  -2           HA       ARG  -2   0.157 -12.653   5.657
   89    HB2  ARG  -2           HB2      ARG  -2  -1.180 -12.142   7.656
   90    HB3  ARG  -2           HB3      ARG  -2  -2.186 -11.040   6.721
   91    HG2  ARG  -2           HG2      ARG  -2  -3.278 -13.186   7.122
   92    HG3  ARG  -2           HG3      ARG  -2  -3.081 -12.871   5.400
   93    HD2  ARG  -2           HD2      ARG  -2  -1.172 -14.416   5.296
   94    HD3  ARG  -2           HD3      ARG  -2  -1.252 -14.674   7.047
   95    HE   ARG  -2           HE       ARG  -2  -3.709 -15.449   6.423
   96   HH11  ARG  -2          HH11      ARG  -2  -0.804 -16.293   4.573
   97   HH12  ARG  -2          HH12      ARG  -2  -1.487 -17.824   4.113
   98   HH21  ARG  -2          HH21      ARG  -2  -4.464 -17.406   5.756
   99   HH22  ARG  -2          HH22      ARG  -2  -3.477 -18.437   4.766
  100    H    LEU  -1           H        LEU  -1  -0.420  -9.537   4.278
  101    HA   LEU  -1           HA       LEU  -1  -1.841 -10.499   1.893
  102    HB2  LEU  -1           HB2      LEU  -1  -0.065  -8.092   2.458
  103    HB3  LEU  -1           HB3      LEU  -1  -0.758  -8.377   0.893
  104    HG   LEU  -1           HG       LEU  -1  -2.487  -8.050   3.369
  105   HD11  LEU  -1          HD11      LEU  -1  -2.755  -5.720   2.568
  106   HD12  LEU  -1          HD12      LEU  -1  -1.565  -6.036   1.277
  107   HD13  LEU  -1          HD13      LEU  -1  -1.066  -6.070   2.975
  108   HD21  LEU  -1          HD21      LEU  -1  -3.072  -7.734   0.381
  109   HD22  LEU  -1          HD22      LEU  -1  -4.229  -7.551   1.710
  110   HD23  LEU  -1          HD23      LEU  -1  -3.535  -9.147   1.327
  111    H    MET   0           H        MET   0   1.565  -9.893   2.810
  112    HA   MET   0           HA       MET   0   2.569 -10.665   0.211
  113    HB2  MET   0           HB2      MET   0   4.188 -10.306   2.766
  114    HB3  MET   0           HB3      MET   0   4.719 -10.195   1.077
  115    HG2  MET   0           HG2      MET   0   2.844  -8.316   0.968
  116    HG3  MET   0           HG3      MET   0   3.120  -8.232   2.705
  117    HE1  MET   0           HE1      MET   0   5.452  -7.613   3.768
  118    HE2  MET   0           HE2      MET   0   6.474  -8.709   2.776
  119    HE3  MET   0           HE3      MET   0   6.824  -6.958   2.844
  120    H    GLU   1           H        GLU   1   2.479 -12.191   3.418
  121    HA   GLU   1           HA       GLU   1   3.342 -14.833   2.382
  122    HB2  GLU   1           HB2      GLU   1   2.565 -14.007   5.205
  123    HB3  GLU   1           HB3      GLU   1   3.341 -15.511   4.721
  124    HG2  GLU   1           HG2      GLU   1   4.558 -12.716   4.646
  125    HG3  GLU   1           HG3      GLU   1   4.931 -14.001   5.780
  126    H    GLY   2           H        GLY   2   1.080 -13.873   1.171
  127    HA2  GLY   2           HA2      GLY   2  -1.282 -15.281   2.370
  128    HA3  GLY   2           HA3      GLY   2  -1.338 -13.821   1.404
  129    H    GLY   3           H        GLY   3  -2.271 -14.228  -0.478
  130    HA2  GLY   3           HA2      GLY   3  -2.746 -15.163  -2.545
  131    HA3  GLY   3           HA3      GLY   3  -1.332 -16.200  -2.373
  132    H    GLY   4           H        GLY   4  -2.716 -17.809  -3.453
  133    HA2  GLY   4           HA2      GLY   4  -4.008 -19.733  -3.448
  134    HA3  GLY   4           HA3      GLY   4  -3.865 -19.738  -1.689
  135    H    GLU   5           H        GLU   5  -5.851 -19.910  -0.816
  136    HA   GLU   5           HA       GLU   5  -8.317 -19.162  -2.019
  137    HB2  GLU   5           HB2      GLU   5  -7.629 -19.632   0.920
  138    HB3  GLU   5           HB3      GLU   5  -9.244 -19.522   0.244
  139    HG2  GLU   5           HG2      GLU   5  -8.980 -21.784   0.376
  140    HG3  GLU   5           HG3      GLU   5  -8.619 -21.466  -1.315
  141    H    ASN   6           H        ASN   6  -6.021 -17.078  -0.498
  142    HA   ASN   6           HA       ASN   6  -7.919 -14.988   0.280
  143    HB2  ASN   6           HB2      ASN   6  -4.896 -14.890  -0.105
  144    HB3  ASN   6           HB3      ASN   6  -5.882 -13.646   0.639
  145   HD21  ASN   6          HD21      ASN   6  -4.260 -16.655   1.175
  146   HD22  ASN   6          HD22      ASN   6  -4.693 -16.770   2.885
  147    H    LEU   7           H        LEU   7  -6.793 -16.020  -2.781
  148    HA   LEU   7           HA       LEU   7  -6.554 -13.511  -4.145
  149    HB2  LEU   7           HB2      LEU   7  -5.613 -15.674  -4.915
  150    HB3  LEU   7           HB3      LEU   7  -7.247 -16.288  -5.158
  151    HG   LEU   7           HG       LEU   7  -7.609 -14.576  -6.950
  152   HD11  LEU   7          HD11      LEU   7  -5.966 -12.851  -6.245
  153   HD12  LEU   7          HD12      LEU   7  -5.631 -13.411  -7.883
  154   HD13  LEU   7          HD13      LEU   7  -4.640 -13.997  -6.532
  155   HD21  LEU   7          HD21      LEU   7  -5.152 -16.317  -7.350
  156   HD22  LEU   7          HD22      LEU   7  -6.216 -15.652  -8.616
  157   HD23  LEU   7          HD23      LEU   7  -6.842 -16.856  -7.481
  158    H    TYR   8           H        TYR   8  -8.004 -12.544  -5.681
  159    HA   TYR   8           HA       TYR   8 -10.721 -12.342  -4.882
  160    HB2  TYR   8           HB2      TYR   8 -10.951 -11.023  -7.069
  161    HB3  TYR   8           HB3      TYR   8  -9.960 -10.410  -5.762
  162    HD1  TYR   8           HD2      TYR   8  -9.745 -12.307  -8.986
  163    HD2  TYR   8           HD1      TYR   8  -7.676  -9.851  -6.109
  164    HE1  TYR   8           HE2      TYR   8  -7.785 -12.197 -10.493
  165    HE2  TYR   8           HE1      TYR   8  -5.710  -9.713  -7.653
  166    HH   TYR   8           HH       TYR   8  -5.702 -11.344 -10.846
  167    H    PHE   9           H        PHE   9 -12.655 -12.836  -5.726
  168    HA   PHE   9           HA       PHE   9 -12.712 -15.089  -7.653
  169    HB2  PHE   9           HB2      PHE   9 -14.389 -14.620  -5.224
  170    HB3  PHE   9           HB3      PHE   9 -14.933 -15.655  -6.530
  171    HD1  PHE   9           HD2      PHE   9 -13.816 -17.767  -7.094
  172    HD2  PHE   9           HD1      PHE   9 -12.446 -15.308  -3.825
  173    HE1  PHE   9           HE2      PHE   9 -12.467 -19.665  -6.226
  174    HE2  PHE   9           HE1      PHE   9 -11.094 -17.203  -2.966
  175    HZ   PHE   9           HZ       PHE   9 -11.105 -19.387  -4.162
  176    H    GLN  10           H        GLN  10 -13.278 -11.942  -7.806
  177    HA   GLN  10           HA       GLN  10 -15.058 -12.183 -10.149
  178    HB2  GLN  10           HB2      GLN  10 -15.585 -10.276  -7.824
  179    HB3  GLN  10           HB3      GLN  10 -16.387 -10.222  -9.395
  180    HG2  GLN  10           HG2      GLN  10 -17.270 -12.543  -8.980
  181    HG3  GLN  10           HG3      GLN  10 -16.588 -12.472  -7.350
  182   HE21  GLN  10          HE21      GLN  10 -18.901 -10.738  -9.538
  183   HE22  GLN  10          HE22      GLN  10 -19.859 -10.097  -8.210
  184    H    GLY  11           H        GLY  11 -15.038 -10.165 -11.461
  185    HA2  GLY  11           HA2      GLY  11 -14.008  -8.306 -12.420
  186    HA3  GLY  11           HA3      GLY  11 -12.930  -8.180 -11.033
  187    H    MET  12           H        MET  12 -10.843  -8.826 -11.304
  188    HA   MET  12           HA       MET  12  -9.850  -9.533 -13.914
  189    HB2  MET  12           HB2      MET  12  -8.456  -9.505 -11.208
  190    HB3  MET  12           HB3      MET  12  -7.655  -9.700 -12.773
  191    HG2  MET  12           HG2      MET  12  -8.624  -7.469 -13.465
  192    HG3  MET  12           HG3      MET  12  -9.198  -7.274 -11.804
  193    HE1  MET  12           HE1      MET  12  -8.007  -5.140 -11.080
  194    HE2  MET  12           HE2      MET  12  -6.364  -4.709 -11.596
  195    HE3  MET  12           HE3      MET  12  -7.639  -4.946 -12.811
  196    H    SER  13           H        SER  13  -8.749 -11.377 -14.618
  197    HA   SER  13           HA       SER  13  -9.665 -13.968 -13.616
  198    HB2  SER  13           HB2      SER  13  -8.351 -14.855 -15.509
  199    HB3  SER  13           HB3      SER  13  -9.517 -13.617 -16.000
  200    HG   SER  13           HG       SER  13  -7.452 -13.310 -16.969
  201    H    VAL  14           H        VAL  14  -8.114 -15.745 -13.252
  202    HA   VAL  14           HA       VAL  14  -6.334 -15.255 -11.113
  203    HB   VAL  14           HB       VAL  14  -6.384 -17.652 -12.974
  204   HG11  VAL  14          HG11      VAL  14  -4.355 -17.637 -11.549
  205   HG12  VAL  14          HG12      VAL  14  -5.381 -17.464 -10.104
  206   HG13  VAL  14          HG13      VAL  14  -5.469 -18.927 -11.098
  207   HG21  VAL  14          HG21      VAL  14  -7.841 -18.690 -11.244
  208   HG22  VAL  14          HG22      VAL  14  -7.908 -17.136 -10.385
  209   HG23  VAL  14          HG23      VAL  14  -8.613 -17.303 -12.009
  210    HA   PRO  15           HA       PRO  15  -2.948 -13.545 -13.382
  211    HB2  PRO  15           HB2      PRO  15  -0.893 -13.670 -11.549
  212    HB3  PRO  15           HB3      PRO  15  -2.263 -12.521 -11.455
  213    HG2  PRO  15           HG2      PRO  15  -1.978 -15.195 -10.047
  214    HG3  PRO  15           HG3      PRO  15  -2.457 -13.616  -9.341
  215    HD2  PRO  15           HD2      PRO  15  -4.308 -15.448 -10.059
  216    HD3  PRO  15           HD3      PRO  15  -4.596 -13.709 -10.361
  217    H    THR  16           H        THR  16  -1.391 -14.136 -14.769
  218    HA   THR  16           HA       THR  16  -0.913 -16.837 -15.343
  219    HB   THR  16           HB       THR  16   0.881 -14.775 -16.528
  220    HG1  THR  16           HG1      THR  16  -0.775 -14.042 -17.827
  221   HG21  THR  16          HG21      THR  16   0.229 -15.934 -18.637
  222   HG22  THR  16          HG22      THR  16  -0.796 -17.041 -17.698
  223   HG23  THR  16          HG23      THR  16   0.971 -17.032 -17.475
  224    H    ASP  17           H        ASP  17   0.985 -18.107 -15.567
  225    HA   ASP  17           HA       ASP  17   2.856 -18.028 -13.403
  226    HB2  ASP  17           HB2      ASP  17   2.827 -19.549 -16.015
  227    HB3  ASP  17           HB3      ASP  17   4.143 -19.683 -14.856
  228    H    GLY  18           H        GLY  18   5.134 -17.718 -13.368
  229    HA2  GLY  18           HA2      GLY  18   6.488 -16.127 -15.396
  230    HA3  GLY  18           HA3      GLY  18   5.872 -15.147 -14.070
  231    H    ALA  19           H        ALA  19   7.558 -14.599 -12.896
  232    HA   ALA  19           HA       ALA  19   9.533 -14.480 -11.902
  233    HB1  ALA  19           HB1      ALA  19   8.361 -15.779 -10.235
  234    HB2  ALA  19           HB2      ALA  19   8.898 -17.297 -10.978
  235    HB3  ALA  19           HB3      ALA  19  10.086 -16.194 -10.255
  236    H    VAL  20           H        VAL  20  10.199 -17.907 -12.590
  237    HA   VAL  20           HA       VAL  20  12.091 -18.846 -13.292
  238    HB   VAL  20           HB       VAL  20  12.413 -17.056 -15.655
  239   HG11  VAL  20          HG11      VAL  20  12.375 -20.091 -15.303
  240   HG12  VAL  20          HG12      VAL  20  12.791 -19.206 -16.785
  241   HG13  VAL  20          HG13      VAL  20  13.842 -19.093 -15.372
  242   HG21  VAL  20          HG21      VAL  20  10.081 -18.974 -15.286
  243   HG22  VAL  20          HG22      VAL  20   9.989 -17.220 -15.572
  244   HG23  VAL  20          HG23      VAL  20  10.605 -18.280 -16.836
  245    H    THR  21           H        THR  21  12.481 -16.854 -11.357
  246    HA   THR  21           HA       THR  21  14.912 -15.311 -11.849
  247    HB   THR  21           HB       THR  21  14.591 -15.003  -9.259
  248    HG1  THR  21           HG1      THR  21  12.539 -15.526  -8.523
  249   HG21  THR  21          HG21      THR  21  13.918 -13.319 -10.944
  250   HG22  THR  21          HG22      THR  21  12.763 -13.392  -9.610
  251   HG23  THR  21          HG23      THR  21  12.363 -14.149 -11.164
  252    H    THR  22           H        THR  22  16.824 -15.559 -10.517
  253    HA   THR  22           HA       THR  22  17.820 -18.228 -10.425
  254    HB   THR  22           HB       THR  22  19.155 -16.158 -10.892
  255    HG1  THR  22           HG1      THR  22  20.951 -17.187 -10.159
  256   HG21  THR  22          HG21      THR  22  19.508 -16.118  -7.858
  257   HG22  THR  22          HG22      THR  22  18.573 -14.906  -8.766
  258   HG23  THR  22          HG23      THR  22  20.311 -15.087  -9.057
  259    H    SER  23           H        SER  23  18.848 -19.335  -8.708
  260    HA   SER  23           HA       SER  23  17.959 -18.868  -5.948
  261    HB2  SER  23           HB2      SER  23  16.100 -20.151  -7.058
  262    HB3  SER  23           HB3      SER  23  17.233 -21.484  -7.321
  263    HG   SER  23           HG       SER  23  17.491 -21.627  -5.065
  264    H    GLN  24           H        GLN  24  20.510 -18.897  -7.444
  265    HA   GLN  24           HA       GLN  24  21.971 -21.318  -6.894
  266    HB2  GLN  24           HB2      GLN  24  22.830 -18.497  -7.629
  267    HB3  GLN  24           HB3      GLN  24  23.960 -19.849  -7.465
  268    HG2  GLN  24           HG2      GLN  24  22.817 -21.106  -9.227
  269    HG3  GLN  24           HG3      GLN  24  21.594 -19.849  -9.386
  270   HE21  GLN  24          HE21      GLN  24  22.443 -20.112 -11.732
  271   HE22  GLN  24          HE22      GLN  24  23.780 -19.053 -12.165
  272    H    ILE  25           H        ILE  25  21.113 -18.774  -4.779
  273    HA   ILE  25           HA       ILE  25  22.746 -19.898  -2.620
  274    HB   ILE  25           HB       ILE  25  23.022 -17.275  -1.931
  275   HG12  ILE  25          HG12      ILE  25  24.079 -16.025  -3.753
  276   HG13  ILE  25          HG13      ILE  25  23.599 -17.238  -4.933
  277   HG21  ILE  25          HG21      ILE  25  25.383 -17.542  -2.471
  278   HG22  ILE  25          HG22      ILE  25  24.732 -19.061  -1.849
  279   HG23  ILE  25          HG23      ILE  25  25.010 -18.867  -3.591
  280   HD11  ILE  25          HD11      ILE  25  22.148 -15.210  -4.929
  281   HD12  ILE  25          HD12      ILE  25  21.227 -16.674  -4.564
  282   HD13  ILE  25          HD13      ILE  25  21.674 -15.559  -3.254
  283    HA   PRO  26           HA       PRO  26  19.021 -19.606  -0.444
  284    HB2  PRO  26           HB2      PRO  26  19.718 -19.221   2.189
  285    HB3  PRO  26           HB3      PRO  26  20.044 -20.727   1.281
  286    HG2  PRO  26           HG2      PRO  26  21.933 -18.394   1.742
  287    HG3  PRO  26           HG3      PRO  26  22.245 -20.141   2.020
  288    HD2  PRO  26           HD2      PRO  26  23.041 -18.931  -0.253
  289    HD3  PRO  26           HD3      PRO  26  22.353 -20.582  -0.309
  290    H    ALA  27           H        ALA  27  20.947 -16.727  -0.489
  291    HA   ALA  27           HA       ALA  27  19.112 -14.949   0.850
  292    HB1  ALA  27           HB1      ALA  27  20.529 -13.205  -0.147
  293    HB2  ALA  27           HB2      ALA  27  21.522 -14.491   0.561
  294    HB3  ALA  27           HB3      ALA  27  21.301 -14.404  -1.203
  295    H    SER  28           H        SER  28  18.883 -16.477  -2.276
  296    HA   SER  28           HA       SER  28  17.496 -14.448  -3.725
  297    HB2  SER  28           HB2      SER  28  17.433 -17.474  -3.941
  298    HB3  SER  28           HB3      SER  28  16.603 -16.386  -5.068
  299    HG   SER  28           HG       SER  28  18.557 -15.480  -5.646
  300    H    GLU  29           H        GLU  29  15.502 -13.773  -3.809
  301    HA   GLU  29           HA       GLU  29  13.224 -15.158  -2.482
  302    HB2  GLU  29           HB2      GLU  29  14.319 -13.815  -0.742
  303    HB3  GLU  29           HB3      GLU  29  14.315 -12.407  -1.784
  304    HG2  GLU  29           HG2      GLU  29  12.712 -12.152  -0.036
  305    HG3  GLU  29           HG3      GLU  29  11.894 -12.176  -1.577
  306    H    GLN  30           H        GLN  30  14.385 -13.486  -5.115
  307    HA   GLN  30           HA       GLN  30  12.313 -11.656  -5.743
  308    HB2  GLN  30           HB2      GLN  30  14.496 -12.915  -7.466
  309    HB3  GLN  30           HB3      GLN  30  13.452 -11.591  -7.963
  310    HG2  GLN  30           HG2      GLN  30  15.397 -10.513  -7.318
  311    HG3  GLN  30           HG3      GLN  30  14.300 -10.252  -5.973
  312   HE21  GLN  30          HE21      GLN  30  16.620  -9.685  -5.092
  313   HE22  GLN  30          HE22      GLN  30  17.453 -11.025  -4.315
  314    H    GLU  31           H        GLU  31  10.985 -11.594  -7.599
  315    HA   GLU  31           HA       GLU  31  10.002 -14.078  -8.841
  316    HB2  GLU  31           HB2      GLU  31   7.697 -13.682  -8.199
  317    HB3  GLU  31           HB3      GLU  31   8.690 -13.858  -6.748
  318    HG2  GLU  31           HG2      GLU  31   8.757 -11.397  -6.488
  319    HG3  GLU  31           HG3      GLU  31   7.765 -11.215  -7.944
  320    H    THR  32           H        THR  32   7.818 -13.033 -10.230
  321    HA   THR  32           HA       THR  32   8.948 -11.653 -12.328
  322    HB   THR  32           HB       THR  32   6.043 -11.214 -11.882
  323    HG1  THR  32           HG1      THR  32   5.542 -13.262 -12.180
  324   HG21  THR  32          HG21      THR  32   7.066 -10.570 -14.036
  325   HG22  THR  32          HG22      THR  32   5.931 -11.911 -14.247
  326   HG23  THR  32          HG23      THR  32   7.680 -12.228 -14.248
  327    H    LEU  33           H        LEU  33   9.342  -9.657 -13.016
  328    HA   LEU  33           HA       LEU  33   8.940  -7.381 -11.198
  329    HB2  LEU  33           HB2      LEU  33  10.220  -7.643 -13.945
  330    HB3  LEU  33           HB3      LEU  33  10.085  -6.122 -13.077
  331    HG   LEU  33           HG       LEU  33  11.639  -8.548 -12.081
  332   HD11  LEU  33          HD11      LEU  33  12.654  -7.499 -14.058
  333   HD12  LEU  33          HD12      LEU  33  13.612  -7.135 -12.614
  334   HD13  LEU  33          HD13      LEU  33  12.533  -5.897 -13.303
  335   HD21  LEU  33          HD21      LEU  33  12.595  -6.939 -10.439
  336   HD22  LEU  33          HD22      LEU  33  10.868  -7.178 -10.185
  337   HD23  LEU  33          HD23      LEU  33  11.450  -5.700 -10.989
  338    H    VAL  34           H        VAL  34   7.776  -5.600 -11.556
  339    HA   VAL  34           HA       VAL  34   5.919  -5.416 -13.851
  340    HB   VAL  34           HB       VAL  34   4.040  -4.975 -12.619
  341   HG11  VAL  34          HG11      VAL  34   4.733  -7.354 -12.425
  342   HG12  VAL  34          HG12      VAL  34   5.419  -6.980 -10.817
  343   HG13  VAL  34          HG13      VAL  34   3.676  -6.792 -11.120
  344   HG21  VAL  34          HG21      VAL  34   4.560  -3.357 -11.022
  345   HG22  VAL  34          HG22      VAL  34   4.152  -4.756 -10.024
  346   HG23  VAL  34          HG23      VAL  34   5.841  -4.337 -10.274
  347    H    ARG  35           H        ARG  35   4.928  -3.311 -14.136
  348    HA   ARG  35           HA       ARG  35   6.766  -1.091 -13.421
  349    HB2  ARG  35           HB2      ARG  35   5.288  -1.780 -15.922
  350    HB3  ARG  35           HB3      ARG  35   5.405  -0.076 -15.557
  351    HG2  ARG  35           HG2      ARG  35   7.911  -1.766 -15.442
  352    HG3  ARG  35           HG3      ARG  35   7.245  -1.290 -16.995
  353    HD2  ARG  35           HD2      ARG  35   8.995   0.251 -16.321
  354    HD3  ARG  35           HD3      ARG  35   7.453   1.073 -16.480
  355    HE   ARG  35           HE       ARG  35   9.012   0.605 -13.993
  356   HH11  ARG  35          HH11      ARG  35   6.062   2.023 -15.321
  357   HH12  ARG  35          HH12      ARG  35   5.639   2.675 -13.746
  358   HH21  ARG  35          HH21      ARG  35   8.480   1.653 -12.188
  359   HH22  ARG  35          HH22      ARG  35   6.942   2.526 -12.081
  360    HA   PRO  36           HA       PRO  36   2.964  -0.007 -11.062
  361    HB2  PRO  36           HB2      PRO  36   4.242   1.344  -9.027
  362    HB3  PRO  36           HB3      PRO  36   3.960  -0.424  -9.052
  363    HG2  PRO  36           HG2      PRO  36   6.471   1.084  -9.786
  364    HG3  PRO  36           HG3      PRO  36   6.287  -0.418  -8.814
  365    HD2  PRO  36           HD2      PRO  36   7.008  -0.460 -11.446
  366    HD3  PRO  36           HD3      PRO  36   6.008  -1.738 -10.711
  367    H    LYS  37           H        LYS  37   1.833   1.927 -11.057
  368    HA   LYS  37           HA       LYS  37   2.348   3.929 -12.888
  369    HB2  LYS  37           HB2      LYS  37   0.503   3.521 -10.617
  370    HB3  LYS  37           HB3      LYS  37   0.856   5.221 -10.866
  371    HG2  LYS  37           HG2      LYS  37   0.184   5.130 -13.187
  372    HG3  LYS  37           HG3      LYS  37  -0.083   3.386 -13.107
  373    HD2  LYS  37           HD2      LYS  37  -1.546   5.328 -11.258
  374    HD3  LYS  37           HD3      LYS  37  -2.151   4.991 -12.870
  375    HE2  LYS  37           HE2      LYS  37  -1.594   2.807 -10.838
  376    HE3  LYS  37           HE3      LYS  37  -3.163   3.601 -10.996
  377    HZ1  LYS  37           HZ1      LYS  37  -1.823   2.144 -13.230
  378    HZ2  LYS  37           HZ2      LYS  37  -3.285   2.880 -13.289
  379    HZ3  LYS  37           HZ3      LYS  37  -3.073   1.561 -12.345
  380    HA   PRO  38           HA       PRO  38   5.425   6.742 -11.293
  381    HB2  PRO  38           HB2      PRO  38   3.575   8.930 -12.258
  382    HB3  PRO  38           HB3      PRO  38   5.342   8.756 -12.499
  383    HG2  PRO  38           HG2      PRO  38   3.646   8.105 -14.497
  384    HG3  PRO  38           HG3      PRO  38   5.019   7.013 -14.114
  385    HD2  PRO  38           HD2      PRO  38   2.118   6.750 -13.271
  386    HD3  PRO  38           HD3      PRO  38   3.227   5.513 -13.939
  387    H    LEU  39           H        LEU  39   2.018   7.501 -10.559
  388    HA   LEU  39           HA       LEU  39   2.388   9.082  -8.235
  389    HB2  LEU  39           HB2      LEU  39   0.289   8.761  -9.622
  390    HB3  LEU  39           HB3      LEU  39   0.131   7.152  -8.923
  391    HG   LEU  39           HG       LEU  39  -0.044   8.251  -6.632
  392   HD11  LEU  39          HD11      LEU  39  -0.691  10.670  -6.630
  393   HD12  LEU  39          HD12      LEU  39  -0.270  10.772  -8.350
  394   HD13  LEU  39          HD13      LEU  39   0.986  10.438  -7.137
  395   HD21  LEU  39          HD21      LEU  39  -2.367   8.949  -6.941
  396   HD22  LEU  39          HD22      LEU  39  -2.033   7.505  -7.906
  397   HD23  LEU  39          HD23      LEU  39  -2.118   9.092  -8.696
  398    H    LEU  40           H        LEU  40   2.376   5.541  -8.630
  399    HA   LEU  40           HA       LEU  40   2.510   5.037  -5.751
  400    HB2  LEU  40           HB2      LEU  40   1.360   3.504  -7.335
  401    HB3  LEU  40           HB3      LEU  40   2.883   3.184  -8.140
  402    HG   LEU  40           HG       LEU  40   3.800   2.091  -6.160
  403   HD11  LEU  40          HD11      LEU  40   2.747   3.377  -4.332
  404   HD12  LEU  40          HD12      LEU  40   2.354   1.667  -4.159
  405   HD13  LEU  40          HD13      LEU  40   1.146   2.788  -4.829
  406   HD21  LEU  40          HD21      LEU  40   0.944   1.175  -6.632
  407   HD22  LEU  40          HD22      LEU  40   2.272   0.186  -6.045
  408   HD23  LEU  40          HD23      LEU  40   2.301   0.795  -7.711
  409    H    LEU  41           H        LEU  41   4.752   4.980  -8.527
  410    HA   LEU  41           HA       LEU  41   7.097   4.183  -7.170
  411    HB2  LEU  41           HB2      LEU  41   6.918   4.300  -9.579
  412    HB3  LEU  41           HB3      LEU  41   6.653   6.040  -9.523
  413    HG   LEU  41           HG       LEU  41   8.922   6.439  -8.755
  414   HD11  LEU  41          HD11      LEU  41   9.249   3.414  -8.932
  415   HD12  LEU  41          HD12      LEU  41   9.445   4.418  -7.473
  416   HD13  LEU  41          HD13      LEU  41  10.607   4.559  -8.789
  417   HD21  LEU  41          HD21      LEU  41   8.825   4.590 -11.172
  418   HD22  LEU  41          HD22      LEU  41  10.095   5.780 -10.811
  419   HD23  LEU  41          HD23      LEU  41   8.449   6.328 -11.169
  420    H    LYS  42           H        LYS  42   5.717   7.485  -7.435
  421    HA   LYS  42           HA       LYS  42   7.618   8.900  -5.858
  422    HB2  LYS  42           HB2      LYS  42   5.781   9.937  -7.138
  423    HB3  LYS  42           HB3      LYS  42   4.589   9.179  -6.081
  424    HG2  LYS  42           HG2      LYS  42   5.605  10.507  -4.141
  425    HG3  LYS  42           HG3      LYS  42   6.542  11.392  -5.344
  426    HD2  LYS  42           HD2      LYS  42   3.503  11.171  -5.145
  427    HD3  LYS  42           HD3      LYS  42   4.455  12.568  -4.663
  428    HE2  LYS  42           HE2      LYS  42   4.182  11.496  -7.509
  429    HE3  LYS  42           HE3      LYS  42   3.278  12.850  -6.831
  430    HZ1  LYS  42           HZ1      LYS  42   5.388  14.031  -6.513
  431    HZ2  LYS  42           HZ2      LYS  42   5.184  13.647  -8.083
  432    HZ3  LYS  42           HZ3      LYS  42   6.233  12.794  -7.171
  433    H    LEU  43           H        LEU  43   4.832   6.932  -4.738
  434    HA   LEU  43           HA       LEU  43   5.209   7.519  -1.936
  435    HB2  LEU  43           HB2      LEU  43   3.087   6.839  -2.947
  436    HB3  LEU  43           HB3      LEU  43   3.715   5.245  -3.309
  437    HG   LEU  43           HG       LEU  43   3.705   6.277  -0.462
  438   HD11  LEU  43          HD11      LEU  43   1.395   6.515  -1.460
  439   HD12  LEU  43          HD12      LEU  43   1.510   5.391  -0.106
  440   HD13  LEU  43          HD13      LEU  43   1.420   4.763  -1.760
  441   HD21  LEU  43          HD21      LEU  43   3.560   3.486  -1.710
  442   HD22  LEU  43          HD22      LEU  43   3.316   3.820   0.014
  443   HD23  LEU  43          HD23      LEU  43   4.878   4.135  -0.711
  444    H    LEU  44           H        LEU  44   6.270   4.782  -4.019
  445    HA   LEU  44           HA       LEU  44   7.622   3.294  -1.977
  446    HB2  LEU  44           HB2      LEU  44   8.239   3.513  -4.954
  447    HB3  LEU  44           HB3      LEU  44   8.817   2.245  -3.884
  448    HG   LEU  44           HG       LEU  44   5.868   2.684  -4.498
  449   HD11  LEU  44          HD11      LEU  44   6.067   0.739  -5.979
  450   HD12  LEU  44          HD12      LEU  44   7.818   0.662  -5.673
  451   HD13  LEU  44          HD13      LEU  44   7.121   2.043  -6.539
  452   HD21  LEU  44          HD21      LEU  44   5.543   0.475  -3.590
  453   HD22  LEU  44          HD22      LEU  44   6.336   1.473  -2.374
  454   HD23  LEU  44          HD23      LEU  44   7.288   0.294  -3.320
  455    H    LYS  45           H        LYS  45   8.795   5.895  -4.148
  456    HA   LYS  45           HA       LYS  45  11.466   5.978  -3.035
  457    HB2  LYS  45           HB2      LYS  45   9.882   7.913  -4.740
  458    HB3  LYS  45           HB3      LYS  45  11.588   8.142  -4.316
  459    HG2  LYS  45           HG2      LYS  45  12.264   6.115  -5.433
  460    HG3  LYS  45           HG3      LYS  45  10.605   5.568  -5.625
  461    HD2  LYS  45           HD2      LYS  45  11.131   6.337  -7.718
  462    HD3  LYS  45           HD3      LYS  45  10.211   7.691  -7.032
  463    HE2  LYS  45           HE2      LYS  45  12.503   8.657  -6.406
  464    HE3  LYS  45           HE3      LYS  45  13.193   7.301  -7.348
  465    HZ1  LYS  45           HZ1      LYS  45  12.062   8.175  -9.312
  466    HZ2  LYS  45           HZ2      LYS  45  13.024   9.335  -8.690
  467    HZ3  LYS  45           HZ3      LYS  45  11.413   9.412  -8.458
  468    H    SER  46           H        SER  46   8.490   7.498  -1.964
  469    HA   SER  46           HA       SER  46   9.686   9.399  -0.159
  470    HB2  SER  46           HB2      SER  46   7.015   7.955   0.041
  471    HB3  SER  46           HB3      SER  46   7.533   9.308   1.049
  472    HG   SER  46           HG       SER  46   7.294   9.342  -1.793
  473    H    VAL  47           H        VAL  47   9.350   5.918   0.036
  474    HA   VAL  47           HA       VAL  47  10.678   5.952   2.707
  475    HB   VAL  47           HB       VAL  47  10.016   3.709   3.095
  476   HG11  VAL  47          HG11      VAL  47   7.588   5.278   2.156
  477   HG12  VAL  47          HG12      VAL  47   7.636   3.979   3.364
  478   HG13  VAL  47          HG13      VAL  47   8.433   5.525   3.702
  479   HG21  VAL  47          HG21      VAL  47   8.452   3.725   0.487
  480   HG22  VAL  47          HG22      VAL  47  10.002   2.888   0.711
  481   HG23  VAL  47          HG23      VAL  47   8.591   2.411   1.669
  482    H    GLY  48           H        GLY  48  11.761   6.252  -0.202
  483    HA2  GLY  48           HA2      GLY  48  13.953   6.202  -0.836
  484    HA3  GLY  48           HA3      GLY  48  14.345   5.198   0.556
  485    H    ALA  49           H        ALA  49  11.970   4.229  -1.994
  486    HA   ALA  49           HA       ALA  49  13.369   1.736  -2.390
  487    HB1  ALA  49           HB1      ALA  49  11.108   2.981  -3.984
  488    HB2  ALA  49           HB2      ALA  49  11.550   1.256  -3.882
  489    HB3  ALA  49           HB3      ALA  49  10.905   2.072  -2.462
  490    H    GLN  50           H        GLN  50  14.778   1.120  -3.952
  491    HA   GLN  50           HA       GLN  50  16.225   3.269  -5.272
  492    HB2  GLN  50           HB2      GLN  50  17.327   1.618  -3.925
  493    HB3  GLN  50           HB3      GLN  50  16.737   0.295  -4.921
  494    HG2  GLN  50           HG2      GLN  50  18.387   2.412  -6.304
  495    HG3  GLN  50           HG3      GLN  50  19.206   1.401  -5.128
  496   HE21  GLN  50          HE21      GLN  50  18.939  -1.061  -5.398
  497   HE22  GLN  50          HE22      GLN  50  18.837  -1.644  -7.054
  498    H    LYS  51           H        LYS  51  14.382   0.481  -6.483
  499    HA   LYS  51           HA       LYS  51  15.524   0.591  -9.161
  500    HB2  LYS  51           HB2      LYS  51  13.128  -0.998  -8.159
  501    HB3  LYS  51           HB3      LYS  51  14.061  -1.282  -9.627
  502    HG2  LYS  51           HG2      LYS  51  16.070  -1.792  -8.219
  503    HG3  LYS  51           HG3      LYS  51  15.038  -1.676  -6.776
  504    HD2  LYS  51           HD2      LYS  51  13.576  -3.488  -7.681
  505    HD3  LYS  51           HD3      LYS  51  14.570  -3.553  -9.139
  506    HE2  LYS  51           HE2      LYS  51  15.307  -5.369  -7.855
  507    HE3  LYS  51           HE3      LYS  51  16.557  -4.135  -7.676
  508    HZ1  LYS  51           HZ1      LYS  51  15.442  -3.563  -5.506
  509    HZ2  LYS  51           HZ2      LYS  51  16.051  -5.079  -5.536
  510    HZ3  LYS  51           HZ3      LYS  51  14.450  -4.865  -5.701
  511    H    ASP  52           H        ASP  52  14.029   0.368 -11.077
  512    HA   ASP  52           HA       ASP  52  11.741   2.264 -11.019
  513    HB2  ASP  52           HB2      ASP  52  12.043   2.475 -13.497
  514    HB3  ASP  52           HB3      ASP  52  13.198   3.274 -12.442
  515    H    THR  53           H        THR  53  12.619  -1.018 -11.705
  516    HA   THR  53           HA       THR  53   9.737  -1.726 -12.216
  517    HB   THR  53           HB       THR  53  10.954  -4.018 -12.738
  518    HG1  THR  53           HG1      THR  53  12.962  -3.650 -13.808
  519   HG21  THR  53          HG21      THR  53  11.103  -3.480 -15.107
  520   HG22  THR  53          HG22      THR  53  11.058  -1.732 -14.733
  521   HG23  THR  53          HG23      THR  53   9.656  -2.768 -14.371
  522    H    TYR  54           H        TYR  54   8.907  -3.322 -10.840
  523    HA   TYR  54           HA       TYR  54  10.525  -4.102  -8.460
  524    HB2  TYR  54           HB2      TYR  54   7.911  -2.578  -8.434
  525    HB3  TYR  54           HB3      TYR  54   8.554  -3.436  -7.045
  526    HD1  TYR  54           HD1      TYR  54  10.561  -2.707  -5.859
  527    HD2  TYR  54           HD2      TYR  54   8.960  -0.473  -9.180
  528    HE1  TYR  54           HE1      TYR  54  11.879  -0.714  -5.151
  529    HE2  TYR  54           HE2      TYR  54  10.320   1.499  -8.500
  530    HH   TYR  54           HH       TYR  54  12.120   2.153  -7.180
  531    H    THR  55           H        THR  55   9.833  -5.867  -7.193
  532    HA   THR  55           HA       THR  55   7.919  -7.672  -8.523
  533    HB   THR  55           HB       THR  55   8.336  -9.313  -7.083
  534    HG1  THR  55           HG1      THR  55   9.339  -9.072  -5.081
  535   HG21  THR  55          HG21      THR  55  11.012  -7.879  -7.056
  536   HG22  THR  55          HG22      THR  55  10.379  -8.871  -8.393
  537   HG23  THR  55          HG23      THR  55  10.726  -9.616  -6.823
  538    H    MET  56           H        MET  56   5.909  -8.508  -7.521
  539    HA   MET  56           HA       MET  56   4.282  -6.435  -6.412
  540    HB2  MET  56           HB2      MET  56   3.942  -9.462  -6.411
  541    HB3  MET  56           HB3      MET  56   2.720  -8.332  -5.842
  542    HG2  MET  56           HG2      MET  56   3.830  -8.502  -8.659
  543    HG3  MET  56           HG3      MET  56   2.255  -9.016  -8.142
  544    HE1  MET  56           HE1      MET  56   0.243  -5.940  -7.697
  545    HE2  MET  56           HE2      MET  56   0.443  -7.724  -7.747
  546    HE3  MET  56           HE3      MET  56   1.165  -6.794  -6.419
  547    H    LYS  57           H        LYS  57   6.178  -9.015  -4.783
  548    HA   LYS  57           HA       LYS  57   5.322  -8.256  -2.125
  549    HB2  LYS  57           HB2      LYS  57   6.273 -10.451  -2.704
  550    HB3  LYS  57           HB3      LYS  57   7.858  -9.709  -2.977
  551    HG2  LYS  57           HG2      LYS  57   8.072  -9.098  -0.646
  552    HG3  LYS  57           HG3      LYS  57   6.355  -9.420  -0.346
  553    HD2  LYS  57           HD2      LYS  57   6.730 -11.826  -0.850
  554    HD3  LYS  57           HD3      LYS  57   8.471 -11.496  -1.014
  555    HE2  LYS  57           HE2      LYS  57   8.521 -10.739   1.356
  556    HE3  LYS  57           HE3      LYS  57   6.780 -11.045   1.483
  557    HZ1  LYS  57           HZ1      LYS  57   7.317 -13.404   0.865
  558    HZ2  LYS  57           HZ2      LYS  57   7.861 -12.970   2.325
  559    HZ3  LYS  57           HZ3      LYS  57   8.909 -13.067   1.032
  560    H    GLU  58           H        GLU  58   8.061  -7.076  -4.141
  561    HA   GLU  58           HA       GLU  58   9.179  -5.369  -2.102
  562    HB2  GLU  58           HB2      GLU  58   9.194  -5.250  -5.126
  563    HB3  GLU  58           HB3      GLU  58   9.947  -4.007  -4.126
  564    HG2  GLU  58           HG2      GLU  58  11.442  -5.599  -3.092
  565    HG3  GLU  58           HG3      GLU  58  10.701  -6.942  -3.963
  566    H    VAL  59           H        VAL  59   6.678  -4.680  -4.611
  567    HA   VAL  59           HA       VAL  59   6.256  -1.953  -3.848
  568    HB   VAL  59           HB       VAL  59   4.256  -3.883  -5.095
  569   HG11  VAL  59          HG11      VAL  59   3.188  -1.850  -4.108
  570   HG12  VAL  59          HG12      VAL  59   4.255  -0.841  -5.096
  571   HG13  VAL  59          HG13      VAL  59   3.075  -1.928  -5.869
  572   HG21  VAL  59          HG21      VAL  59   6.274  -3.554  -6.525
  573   HG22  VAL  59          HG22      VAL  59   4.866  -2.770  -7.230
  574   HG23  VAL  59          HG23      VAL  59   6.097  -1.803  -6.384
  575    H    LEU  60           H        LEU  60   4.425  -4.911  -2.825
  576    HA   LEU  60           HA       LEU  60   2.806  -3.624  -0.873
  577    HB2  LEU  60           HB2      LEU  60   3.908  -6.442  -1.102
  578    HB3  LEU  60           HB3      LEU  60   2.814  -5.961   0.193
  579    HG   LEU  60           HG       LEU  60   2.064  -5.747  -2.746
  580   HD11  LEU  60          HD11      LEU  60   2.524  -8.105  -2.078
  581   HD12  LEU  60          HD12      LEU  60   0.803  -7.823  -2.391
  582   HD13  LEU  60          HD13      LEU  60   1.395  -7.931  -0.719
  583   HD21  LEU  60          HD21      LEU  60   0.701  -4.311  -1.294
  584   HD22  LEU  60          HD22      LEU  60   0.453  -5.648  -0.152
  585   HD23  LEU  60          HD23      LEU  60  -0.248  -5.722  -1.778
  586    H    PHE  61           H        PHE  61   6.092  -5.097  -0.426
  587    HA   PHE  61           HA       PHE  61   6.323  -4.670   2.312
  588    HB2  PHE  61           HB2      PHE  61   7.913  -6.049   1.235
  589    HB3  PHE  61           HB3      PHE  61   8.352  -4.799   0.106
  590    HD1  PHE  61           HD2      PHE  61   8.813  -5.956   3.590
  591    HD2  PHE  61           HD1      PHE  61   9.998  -3.103   0.577
  592    HE1  PHE  61           HE2      PHE  61  10.772  -5.310   4.969
  593    HE2  PHE  61           HE1      PHE  61  11.953  -2.462   1.958
  594    HZ   PHE  61           HZ       PHE  61  12.352  -3.571   4.149
  595    H    TYR  62           H        TYR  62   7.511  -2.502  -0.153
  596    HA   TYR  62           HA       TYR  62   8.164  -0.347   1.617
  597    HB2  TYR  62           HB2      TYR  62   7.716  -0.482  -1.341
  598    HB3  TYR  62           HB3      TYR  62   8.110   1.032  -0.542
  599    HD1  TYR  62           HD2      TYR  62  10.252   0.596   1.279
  600    HD2  TYR  62           HD1      TYR  62   9.528  -1.333  -2.515
  601    HE1  TYR  62           HE2      TYR  62  12.688   0.244   0.994
  602    HE2  TYR  62           HE1      TYR  62  11.974  -1.716  -2.779
  603    HH   TYR  62           HH       TYR  62  14.351  -0.625  -0.332
  604    H    LEU  63           H        LEU  63   5.134  -0.909  -0.198
  605    HA   LEU  63           HA       LEU  63   3.847   1.519   0.576
  606    HB2  LEU  63           HB2      LEU  63   3.107   0.121  -1.270
  607    HB3  LEU  63           HB3      LEU  63   2.818  -1.237  -0.181
  608    HG   LEU  63           HG       LEU  63   0.951  -0.050   0.887
  609   HD11  LEU  63          HD11      LEU  63   1.611   2.290   0.634
  610   HD12  LEU  63          HD12      LEU  63   0.076   2.032  -0.206
  611   HD13  LEU  63          HD13      LEU  63   1.577   2.143  -1.142
  612   HD21  LEU  63          HD21      LEU  63   0.573  -1.456  -1.124
  613   HD22  LEU  63          HD22      LEU  63   0.806  -0.029  -2.157
  614   HD23  LEU  63          HD23      LEU  63  -0.565  -0.105  -1.042
  615    H    GLY  64           H        GLY  64   3.961  -1.704   2.154
  616    HA2  GLY  64           HA2      GLY  64   2.361  -1.100   4.439
  617    HA3  GLY  64           HA3      GLY  64   3.639  -2.315   4.343
  618    H    GLN  65           H        GLN  65   5.939  -0.743   3.932
  619    HA   GLN  65           HA       GLN  65   6.481   0.437   6.481
  620    HB2  GLN  65           HB2      GLN  65   7.895   0.688   3.802
  621    HB3  GLN  65           HB3      GLN  65   8.465   1.455   5.285
  622    HG2  GLN  65           HG2      GLN  65   8.492  -0.793   6.399
  623    HG3  GLN  65           HG3      GLN  65   8.148  -1.543   4.844
  624   HE21  GLN  65          HE21      GLN  65  10.551  -1.920   6.516
  625   HE22  GLN  65          HE22      GLN  65  11.896  -1.357   5.534
  626    H    TYR  66           H        TYR  66   5.252   1.967   3.477
  627    HA   TYR  66           HA       TYR  66   5.492   4.657   4.486
  628    HB2  TYR  66           HB2      TYR  66   5.367   4.194   2.109
  629    HB3  TYR  66           HB3      TYR  66   3.766   3.510   2.293
  630    HD1  TYR  66           HD2      TYR  66   1.783   4.962   2.806
  631    HD2  TYR  66           HD1      TYR  66   5.703   6.593   2.042
  632    HE1  TYR  66           HE2      TYR  66   0.780   7.207   2.373
  633    HE2  TYR  66           HE1      TYR  66   4.696   8.816   1.581
  634    HH   TYR  66           HH       TYR  66   2.751   9.997   1.314
  635    H    ILE  67           H        ILE  67   2.696   2.410   4.353
  636    HA   ILE  67           HA       ILE  67   0.813   4.016   5.760
  637    HB   ILE  67           HB       ILE  67   1.145   0.996   5.667
  638   HG12  ILE  67          HG12      ILE  67  -0.916   2.607   4.139
  639   HG13  ILE  67          HG13      ILE  67   0.704   2.386   3.478
  640   HG21  ILE  67          HG21      ILE  67  -1.327   0.975   6.256
  641   HG22  ILE  67          HG22      ILE  67  -0.291   1.519   7.569
  642   HG23  ILE  67          HG23      ILE  67  -1.208   2.693   6.604
  643   HD11  ILE  67          HD11      ILE  67   0.448  -0.069   3.557
  644   HD12  ILE  67          HD12      ILE  67  -1.211   0.125   4.172
  645   HD13  ILE  67          HD13      ILE  67  -0.788   0.707   2.556
  646    H    MET  68           H        MET  68   3.233   1.699   6.987
  647    HA   MET  68           HA       MET  68   2.710   1.851   9.752
  648    HB2  MET  68           HB2      MET  68   4.100   0.138   8.701
  649    HB3  MET  68           HB3      MET  68   5.291   1.360   8.247
  650    HG2  MET  68           HG2      MET  68   5.503   1.818  10.797
  651    HG3  MET  68           HG3      MET  68   4.675   0.276  10.995
  652    HE1  MET  68           HE1      MET  68   5.736  -2.074  10.144
  653    HE2  MET  68           HE2      MET  68   5.907  -1.431   8.492
  654    HE3  MET  68           HE3      MET  68   7.289  -2.201   9.295
  655    H    THR  69           H        THR  69   5.232   3.708   7.908
  656    HA   THR  69           HA       THR  69   5.888   5.301  10.183
  657    HB   THR  69           HB       THR  69   7.363   4.764   8.201
  658    HG1  THR  69           HG1      THR  69   8.534   6.615   8.633
  659   HG21  THR  69          HG21      THR  69   7.551   6.432   6.450
  660   HG22  THR  69          HG22      THR  69   6.202   7.377   7.115
  661   HG23  THR  69          HG23      THR  69   5.914   5.772   6.413
  662    H    LYS  70           H        LYS  70   3.608   5.947   7.588
  663    HA   LYS  70           HA       LYS  70   2.952   8.650   8.468
  664    HB2  LYS  70           HB2      LYS  70   1.647   6.661   6.586
  665    HB3  LYS  70           HB3      LYS  70   1.023   8.278   6.848
  666    HG2  LYS  70           HG2      LYS  70   3.927   8.018   6.055
  667    HG3  LYS  70           HG3      LYS  70   2.713   7.647   4.849
  668    HD2  LYS  70           HD2      LYS  70   2.847  10.289   6.361
  669    HD3  LYS  70           HD3      LYS  70   3.523   9.986   4.749
  670    HE2  LYS  70           HE2      LYS  70   1.215   9.268   3.990
  671    HE3  LYS  70           HE3      LYS  70   0.583   9.819   5.545
  672    HZ1  LYS  70           HZ1      LYS  70   0.339  11.521   3.873
  673    HZ2  LYS  70           HZ2      LYS  70   1.935  11.519   3.528
  674    HZ3  LYS  70           HZ3      LYS  70   1.414  12.056   4.989
  675    H    ARG  71           H        ARG  71   2.077   5.610   9.748
  676    HA   ARG  71           HA       ARG  71   0.518   4.865  11.232
  677    HB2  ARG  71           HB2      ARG  71   0.787   7.732  12.165
  678    HB3  ARG  71           HB3      ARG  71  -0.123   6.525  13.063
  679    HG2  ARG  71           HG2      ARG  71   1.684   5.418  13.816
  680    HG3  ARG  71           HG3      ARG  71   2.615   5.621  12.336
  681    HD2  ARG  71           HD2      ARG  71   2.130   7.869  14.315
  682    HD3  ARG  71           HD3      ARG  71   3.539   6.799  14.365
  683    HE   ARG  71           HE       ARG  71   3.911   7.556  11.914
  684   HH11  ARG  71          HH11      ARG  71   2.758   9.786  14.374
  685   HH12  ARG  71          HH12      ARG  71   3.397  11.161  13.515
  686   HH21  ARG  71          HH21      ARG  71   4.656   9.254  10.922
  687   HH22  ARG  71          HH22      ARG  71   4.478  10.871  11.582
  688    H    LEU  72           H        LEU  72  -0.579   5.159   8.829
  689    HA   LEU  72           HA       LEU  72  -3.069   6.685   8.894
  690    HB2  LEU  72           HB2      LEU  72  -2.128   4.564   6.944
  691    HB3  LEU  72           HB3      LEU  72  -3.464   5.665   6.681
  692    HG   LEU  72           HG       LEU  72  -0.548   6.456   6.972
  693   HD11  LEU  72          HD11      LEU  72  -0.620   6.951   4.594
  694   HD12  LEU  72          HD12      LEU  72  -2.329   6.473   4.515
  695   HD13  LEU  72          HD13      LEU  72  -1.076   5.260   4.864
  696   HD21  LEU  72          HD21      LEU  72  -1.953   8.278   7.751
  697   HD22  LEU  72          HD22      LEU  72  -3.021   8.114   6.337
  698   HD23  LEU  72          HD23      LEU  72  -1.350   8.688   6.140
  699    H    TYR  73           H        TYR  73  -2.300   3.624  10.169
  700    HA   TYR  73           HA       TYR  73  -4.891   2.395   9.873
  701    HB2  TYR  73           HB2      TYR  73  -4.083   0.855  11.697
  702    HB3  TYR  73           HB3      TYR  73  -3.209   0.871  10.175
  703    HD1  TYR  73           HD1      TYR  73  -0.913   1.763   9.994
  704    HD2  TYR  73           HD2      TYR  73  -3.054   1.780  13.745
  705    HE1  TYR  73           HE1      TYR  73   1.195   2.296  11.205
  706    HE2  TYR  73           HE2      TYR  73  -0.933   2.300  14.946
  707    HH   TYR  73           HH       TYR  73   2.192   2.658  13.229
  708    H    ASP  74           H        ASP  74  -6.593   2.073  11.353
  709    HA   ASP  74           HA       ASP  74  -7.048   4.243  13.227
  710    HB2  ASP  74           HB2      ASP  74  -8.969   3.459  12.264
  711    HB3  ASP  74           HB3      ASP  74  -8.592   1.774  12.586
  712    H    GLU  75           H        GLU  75  -6.631   4.425  15.379
  713    HA   GLU  75           HA       GLU  75  -4.718   2.692  16.618
  714    HB2  GLU  75           HB2      GLU  75  -5.055   4.010  18.610
  715    HB3  GLU  75           HB3      GLU  75  -4.921   5.047  17.186
  716    HG2  GLU  75           HG2      GLU  75  -7.427   5.277  17.171
  717    HG3  GLU  75           HG3      GLU  75  -7.492   4.322  18.658
  718    H    LYS  76           H        LYS  76  -8.256   2.650  16.623
  719    HA   LYS  76           HA       LYS  76  -8.384   0.504  18.668
  720    HB2  LYS  76           HB2      LYS  76 -10.623   1.644  16.951
  721    HB3  LYS  76           HB3      LYS  76 -10.797   0.578  18.332
  722    HG2  LYS  76           HG2      LYS  76  -9.818   3.464  18.337
  723    HG3  LYS  76           HG3      LYS  76 -11.364   2.880  18.911
  724    HD2  LYS  76           HD2      LYS  76  -8.638   2.293  20.148
  725    HD3  LYS  76           HD3      LYS  76  -9.840   3.406  20.774
  726    HE2  LYS  76           HE2      LYS  76 -10.213   0.385  20.520
  727    HE3  LYS  76           HE3      LYS  76  -9.748   1.233  21.994
  728    HZ1  LYS  76           HZ1      LYS  76 -12.326   1.622  20.565
  729    HZ2  LYS  76           HZ2      LYS  76 -11.872   2.425  21.915
  730    HZ3  LYS  76           HZ3      LYS  76 -12.124   0.817  21.968
  731    H    GLN  77           H        GLN  77  -9.539   0.691  15.242
  732    HA   GLN  77           HA       GLN  77  -9.176  -2.239  15.006
  733    HB2  GLN  77           HB2      GLN  77 -10.266  -0.263  12.971
  734    HB3  GLN  77           HB3      GLN  77 -10.301  -2.021  12.877
  735    HG2  GLN  77           HG2      GLN  77 -11.803  -0.284  14.872
  736    HG3  GLN  77           HG3      GLN  77 -12.488  -1.141  13.502
  737   HE21  GLN  77          HE21      GLN  77 -13.445  -1.458  16.176
  738   HE22  GLN  77          HE22      GLN  77 -13.102  -3.119  16.645
  739    H    GLN  78           H        GLN  78  -6.939  -2.362  15.191
  740    HA   GLN  78           HA       GLN  78  -5.014  -0.882  13.730
  741    HB2  GLN  78           HB2      GLN  78  -4.973  -3.669  14.952
  742    HB3  GLN  78           HB3      GLN  78  -3.533  -2.886  14.322
  743    HG2  GLN  78           HG2      GLN  78  -5.274  -1.618  16.501
  744    HG3  GLN  78           HG3      GLN  78  -3.944  -2.711  16.851
  745   HE21  GLN  78          HE21      GLN  78  -4.335   0.297  17.408
  746   HE22  GLN  78          HE22      GLN  78  -2.807   0.943  16.811
  747    H    HIS  79           H        HIS  79  -7.027  -3.475  12.660
  748    HA   HIS  79           HA       HIS  79  -5.418  -4.142  10.304
  749    HB2  HIS  79           HB2      HIS  79  -6.989  -5.885   9.983
  750    HB3  HIS  79           HB3      HIS  79  -6.607  -5.814  11.701
  751    HD1  HIS  79           HD1      HIS  79  -8.641  -5.351  13.372
  752    HD2  HIS  79           HD2      HIS  79  -9.523  -5.162   9.263
  753    HE1  HIS  79           HE1      HIS  79 -11.176  -5.230  13.190
  754    H    ILE  80           H        ILE  80  -7.283  -1.449  10.838
  755    HA   ILE  80           HA       ILE  80  -8.234  -1.388   7.998
  756    HB   ILE  80           HB       ILE  80  -9.528   0.067  10.316
  757   HG12  ILE  80          HG12      ILE  80 -10.407  -2.491   8.902
  758   HG13  ILE  80          HG13      ILE  80  -9.908  -2.334  10.586
  759   HG21  ILE  80          HG21      ILE  80  -9.730   1.135   8.028
  760   HG22  ILE  80          HG22      ILE  80 -10.490  -0.359   7.447
  761   HG23  ILE  80          HG23      ILE  80 -11.270   0.630   8.695
  762   HD11  ILE  80          HD11      ILE  80 -11.873  -0.793  10.970
  763   HD12  ILE  80          HD12      ILE  80 -12.450  -1.246   9.347
  764   HD13  ILE  80          HD13      ILE  80 -12.272  -2.483  10.600
  765    H    VAL  81           H        VAL  81  -7.445   0.124   6.754
  766    HA   VAL  81           HA       VAL  81  -5.664   2.247   7.876
  767    HB   VAL  81           HB       VAL  81  -5.847   1.064   5.085
  768   HG11  VAL  81          HG11      VAL  81  -3.750   2.343   4.644
  769   HG12  VAL  81          HG12      VAL  81  -5.133   3.403   4.906
  770   HG13  VAL  81          HG13      VAL  81  -3.942   3.161   6.209
  771   HG21  VAL  81          HG21      VAL  81  -3.605   0.158   5.575
  772   HG22  VAL  81          HG22      VAL  81  -3.681   0.825   7.224
  773   HG23  VAL  81          HG23      VAL  81  -4.791  -0.464   6.722
  774    H    TYR  82           H        TYR  82  -6.098   4.354   7.583
  775    HA   TYR  82           HA       TYR  82  -8.422   5.192   5.918
  776    HB2  TYR  82           HB2      TYR  82  -7.575   6.221   8.636
  777    HB3  TYR  82           HB3      TYR  82  -8.715   7.031   7.575
  778    HD1  TYR  82           HD2      TYR  82  -8.142   3.885   9.514
  779    HD2  TYR  82           HD1      TYR  82 -11.022   6.407   7.519
  780    HE1  TYR  82           HE2      TYR  82  -9.994   2.533  10.473
  781    HE2  TYR  82           HE1      TYR  82 -12.874   5.050   8.481
  782    HH   TYR  82           HH       TYR  82 -13.442   3.278   9.820
  783    H    CYS  83           H        CYS  83  -8.032   6.666   4.381
  784    HA   CYS  83           HA       CYS  83  -6.089   8.783   4.732
  785    HB2  CYS  83           HB2      CYS  83  -4.630   6.820   4.053
  786    HB3  CYS  83           HB3      CYS  83  -5.539   6.741   2.532
  787    HG   CYS  83           HG       CYS  83  -3.699   9.184   3.835
  788    H    SER  84           H        SER  84  -7.518  10.311   4.179
  789    HA   SER  84           HA       SER  84  -8.638  10.280   1.409
  790    HB2  SER  84           HB2      SER  84 -10.460  11.705   2.167
  791    HB3  SER  84           HB3      SER  84 -10.459  10.143   3.000
  792    HG   SER  84           HG       SER  84 -10.802  11.896   4.445
  793    H    ASN  85           H        ASN  85  -8.549  12.160   0.213
  794    HA   ASN  85           HA       ASN  85  -7.489  13.894  -0.736
  795    HB2  ASN  85           HB2      ASN  85  -7.765  15.082   2.043
  796    HB3  ASN  85           HB3      ASN  85  -7.471  16.000   0.571
  797   HD21  ASN  85          HD21      ASN  85  -9.768  16.139   2.452
  798   HD22  ASN  85          HD22      ASN  85 -11.167  15.883   1.417
  799    H    ASP  86           H        ASP  86  -5.644  11.854   0.287
  800    HA   ASP  86           HA       ASP  86  -3.136  13.386   0.028
  801    HB2  ASP  86           HB2      ASP  86  -3.588  13.206   2.463
  802    HB3  ASP  86           HB3      ASP  86  -3.662  11.457   2.317
  803    H    LEU  87           H        LEU  87  -1.271  11.804  -0.279
  804    HA   LEU  87           HA       LEU  87  -1.617  10.680  -2.742
  805    HB2  LEU  87           HB2      LEU  87   0.494  11.426  -1.779
  806    HB3  LEU  87           HB3      LEU  87   0.506  10.064  -0.661
  807    HG   LEU  87           HG       LEU  87   0.798   8.481  -2.526
  808   HD11  LEU  87          HD11      LEU  87   1.286   9.342  -4.803
  809   HD12  LEU  87          HD12      LEU  87   0.782  10.968  -4.288
  810   HD13  LEU  87          HD13      LEU  87  -0.390   9.627  -4.330
  811   HD21  LEU  87          HD21      LEU  87   2.726  10.839  -2.637
  812   HD22  LEU  87          HD22      LEU  87   3.060   9.205  -3.239
  813   HD23  LEU  87          HD23      LEU  87   2.804   9.470  -1.504
  814    H    LEU  88           H        LEU  88  -1.606   8.681   0.269
  815    HA   LEU  88           HA       LEU  88  -1.799   6.209  -1.215
  816    HB2  LEU  88           HB2      LEU  88  -0.783   6.412   0.961
  817    HB3  LEU  88           HB3      LEU  88  -2.323   6.785   1.719
  818    HG   LEU  88           HG       LEU  88  -2.311   4.275   0.088
  819   HD11  LEU  88          HD11      LEU  88  -0.052   4.185   0.981
  820   HD12  LEU  88          HD12      LEU  88  -1.091   2.977   1.740
  821   HD13  LEU  88          HD13      LEU  88  -0.664   4.469   2.623
  822   HD21  LEU  88          HD21      LEU  88  -4.206   4.892   1.599
  823   HD22  LEU  88          HD22      LEU  88  -3.093   4.834   2.990
  824   HD23  LEU  88          HD23      LEU  88  -3.445   3.363   2.072
  825    H    GLY  89           H        GLY  89  -4.252   8.399   0.090
  826    HA2  GLY  89           HA2      GLY  89  -6.567   6.725  -0.475
  827    HA3  GLY  89           HA3      GLY  89  -6.534   8.477  -0.211
  828    H    ASP  90           H        ASP  90  -4.756   9.266  -2.252
  829    HA   ASP  90           HA       ASP  90  -6.410   9.245  -4.600
  830    HB2  ASP  90           HB2      ASP  90  -3.572  10.171  -4.110
  831    HB3  ASP  90           HB3      ASP  90  -4.354  10.276  -5.680
  832    H    LEU  91           H        LEU  91  -3.664   7.244  -3.702
  833    HA   LEU  91           HA       LEU  91  -3.505   5.758  -6.179
  834    HB2  LEU  91           HB2      LEU  91  -2.618   5.325  -3.310
  835    HB3  LEU  91           HB3      LEU  91  -2.462   4.029  -4.482
  836    HG   LEU  91           HG       LEU  91  -1.194   6.768  -4.898
  837   HD11  LEU  91          HD11      LEU  91  -0.068   4.253  -3.682
  838   HD12  LEU  91          HD12      LEU  91  -0.305   5.838  -2.925
  839   HD13  LEU  91          HD13      LEU  91   0.888   5.666  -4.218
  840   HD21  LEU  91          HD21      LEU  91   0.155   5.556  -6.540
  841   HD22  LEU  91          HD22      LEU  91  -1.540   5.364  -6.970
  842   HD23  LEU  91          HD23      LEU  91  -0.685   4.035  -6.167
  843    H    PHE  92           H        PHE  92  -4.953   4.794  -2.993
  844    HA   PHE  92           HA       PHE  92  -6.141   2.496  -4.188
  845    HB2  PHE  92           HB2      PHE  92  -6.321   3.655  -1.439
  846    HB3  PHE  92           HB3      PHE  92  -7.370   2.342  -1.931
  847    HD1  PHE  92           HD2      PHE  92  -6.294   0.264  -3.061
  848    HD2  PHE  92           HD1      PHE  92  -4.169   3.053  -0.569
  849    HE1  PHE  92           HE2      PHE  92  -4.564  -1.475  -2.593
  850    HE2  PHE  92           HE1      PHE  92  -2.455   1.312  -0.085
  851    HZ   PHE  92           HZ       PHE  92  -2.677  -0.959  -1.083
  852    H    GLY  93           H        GLY  93  -7.491   5.659  -4.046
  853    HA2  GLY  93           HA2      GLY  93  -9.400   6.443  -5.072
  854    HA3  GLY  93           HA3      GLY  93  -9.746   4.819  -5.678
  855    H    VAL  94           H        VAL  94  -9.297   5.114  -2.256
  856    HA   VAL  94           HA       VAL  94 -12.187   5.366  -1.631
  857    HB   VAL  94           HB       VAL  94 -11.900   3.480   0.049
  858   HG11  VAL  94          HG11      VAL  94 -11.854   2.677  -2.874
  859   HG12  VAL  94          HG12      VAL  94 -12.466   1.710  -1.516
  860   HG13  VAL  94          HG13      VAL  94 -13.273   3.233  -1.944
  861   HG21  VAL  94          HG21      VAL  94  -9.621   2.565  -1.741
  862   HG22  VAL  94          HG22      VAL  94  -9.411   3.202  -0.090
  863   HG23  VAL  94          HG23      VAL  94 -10.312   1.705  -0.358
  864    HA   PRO  95           HA       PRO  95 -10.434   7.724   1.755
  865    HB2  PRO  95           HB2      PRO  95 -12.469   7.693   3.577
  866    HB3  PRO  95           HB3      PRO  95 -12.589   8.564   2.017
  867    HG2  PRO  95           HG2      PRO  95 -13.618   5.771   2.658
  868    HG3  PRO  95           HG3      PRO  95 -14.514   7.130   1.904
  869    HD2  PRO  95           HD2      PRO  95 -13.365   5.182   0.424
  870    HD3  PRO  95           HD3      PRO  95 -13.349   6.877  -0.134
  871    H    SER  96           H        SER  96 -11.509   4.402   2.244
  872    HA   SER  96           HA       SER  96  -9.345   3.834   4.084
  873    HB2  SER  96           HB2      SER  96 -10.772   3.025   5.928
  874    HB3  SER  96           HB3      SER  96 -11.009   4.755   5.647
  875    HG   SER  96           HG       SER  96 -12.997   3.637   5.916
  876    H    PHE  97           H        PHE  97  -9.194   1.513   4.611
  877    HA   PHE  97           HA       PHE  97 -11.044  -0.349   3.319
  878    HB2  PHE  97           HB2      PHE  97  -9.457  -1.466   1.901
  879    HB3  PHE  97           HB3      PHE  97  -9.493   0.219   1.438
  880    HD1  PHE  97           HD1      PHE  97  -7.537  -2.430   3.083
  881    HD2  PHE  97           HD2      PHE  97  -7.468   1.635   1.672
  882    HE1  PHE  97           HE1      PHE  97  -5.078  -2.385   3.365
  883    HE2  PHE  97           HE2      PHE  97  -4.994   1.664   1.910
  884    HZ   PHE  97           HZ       PHE  97  -3.795  -0.362   2.772
  885    H    SER  98           H        SER  98 -10.781  -2.503   4.068
  886    HA   SER  98           HA       SER  98  -9.294  -2.859   6.606
  887    HB2  SER  98           HB2      SER  98 -11.550  -3.685   6.580
  888    HB3  SER  98           HB3      SER  98 -11.243  -4.633   5.109
  889    HG   SER  98           HG       SER  98 -11.112  -5.828   7.116
  890    H    VAL  99           H        VAL  99  -7.382  -3.820   6.746
  891    HA   VAL  99           HA       VAL  99  -5.893  -4.843   4.499
  892    HB   VAL  99           HB       VAL  99  -5.295  -5.141   7.416
  893   HG11  VAL  99          HG11      VAL  99  -3.869  -6.604   6.086
  894   HG12  VAL  99          HG12      VAL  99  -3.494  -5.258   4.968
  895   HG13  VAL  99          HG13      VAL  99  -2.927  -5.226   6.653
  896   HG21  VAL  99          HG21      VAL  99  -5.545  -2.725   6.798
  897   HG22  VAL  99          HG22      VAL  99  -3.887  -3.151   7.205
  898   HG23  VAL  99          HG23      VAL  99  -4.351  -2.962   5.502
  899    H    LYS 100           H        LYS 100  -8.121  -6.336   6.733
  900    HA   LYS 100           HA       LYS 100  -7.327  -9.107   6.241
  901    HB2  LYS 100           HB2      LYS 100  -9.959  -7.940   7.244
  902    HB3  LYS 100           HB3      LYS 100  -9.530  -9.650   7.229
  903    HG2  LYS 100           HG2      LYS 100  -7.676  -9.248   8.795
  904    HG3  LYS 100           HG3      LYS 100  -8.003  -7.512   8.769
  905    HD2  LYS 100           HD2      LYS 100  -8.938  -8.392  10.787
  906    HD3  LYS 100           HD3      LYS 100 -10.270  -7.927   9.721
  907    HE2  LYS 100           HE2      LYS 100 -10.552 -10.303   9.037
  908    HE3  LYS 100           HE3      LYS 100  -9.206 -10.767  10.086
  909    HZ1  LYS 100           HZ1      LYS 100 -11.350 -11.114  11.179
  910    HZ2  LYS 100           HZ2      LYS 100 -11.751  -9.541  11.018
  911    HZ3  LYS 100           HZ3      LYS 100 -10.512  -9.975  11.991
  912    H    GLU 101           H        GLU 101  -9.187  -6.788   4.421
  913    HA   GLU 101           HA       GLU 101 -10.372  -8.845   2.678
  914    HB2  GLU 101           HB2      GLU 101 -10.603  -5.861   2.867
  915    HB3  GLU 101           HB3      GLU 101 -11.082  -6.681   1.380
  916    HG2  GLU 101           HG2      GLU 101 -12.033  -7.587   4.139
  917    HG3  GLU 101           HG3      GLU 101 -12.834  -6.391   3.157
  918    H    HIS 102           H        HIS 102  -8.317  -9.649   2.596
  919    HA   HIS 102           HA       HIS 102  -6.118  -8.658   1.125
  920    HB2  HIS 102           HB2      HIS 102  -6.994 -11.565   1.322
  921    HB3  HIS 102           HB3      HIS 102  -5.385 -10.997   0.891
  922    HD1  HIS 102           HD1      HIS 102  -4.440  -9.209   3.135
  923    HD2  HIS 102           HD2      HIS 102  -6.976 -12.504   3.730
  924    HE1  HIS 102           HE1      HIS 102  -4.042  -9.982   5.524
  925    H    ARG 103           H        ARG 103  -8.807 -10.648  -0.116
  926    HA   ARG 103           HA       ARG 103  -8.175 -10.734  -2.852
  927    HB2  ARG 103           HB2      ARG 103 -10.643 -11.026  -3.184
  928    HB3  ARG 103           HB3      ARG 103  -9.923 -12.100  -1.984
  929    HG2  ARG 103           HG2      ARG 103 -10.795 -10.599  -0.171
  930    HG3  ARG 103           HG3      ARG 103 -11.581  -9.605  -1.410
  931    HD2  ARG 103           HD2      ARG 103 -12.986 -11.495  -2.077
  932    HD3  ARG 103           HD3      ARG 103 -12.138 -12.554  -0.921
  933    HE   ARG 103           HE       ARG 103 -13.100 -10.210   0.424
  934   HH11  ARG 103          HH11      ARG 103 -14.448 -13.197  -0.830
  935   HH12  ARG 103          HH12      ARG 103 -15.721 -13.211   0.362
  936   HH21  ARG 103          HH21      ARG 103 -14.652 -10.294   1.904
  937   HH22  ARG 103          HH22      ARG 103 -15.850 -11.575   1.875
  938    H    LYS 104           H        LYS 104  -9.869  -8.098  -1.143
  939    HA   LYS 104           HA       LYS 104 -10.374  -6.548  -3.557
  940    HB2  LYS 104           HB2      LYS 104 -11.699  -6.405  -1.395
  941    HB3  LYS 104           HB3      LYS 104 -10.310  -5.579  -0.670
  942    HG2  LYS 104           HG2      LYS 104 -10.491  -3.836  -2.510
  943    HG3  LYS 104           HG3      LYS 104 -11.955  -4.655  -3.067
  944    HD2  LYS 104           HD2      LYS 104 -13.048  -4.207  -0.889
  945    HD3  LYS 104           HD3      LYS 104 -11.548  -3.514  -0.263
  946    HE2  LYS 104           HE2      LYS 104 -13.014  -1.703  -0.845
  947    HE3  LYS 104           HE3      LYS 104 -11.645  -1.708  -1.960
  948    HZ1  LYS 104           HZ1      LYS 104 -13.086  -2.764  -3.622
  949    HZ2  LYS 104           HZ2      LYS 104 -13.770  -1.376  -3.110
  950    HZ3  LYS 104           HZ3      LYS 104 -14.343  -2.804  -2.574
  951    H    ILE 105           H        ILE 105  -7.890  -6.402  -0.971
  952    HA   ILE 105           HA       ILE 105  -6.439  -4.200  -2.088
  953    HB   ILE 105           HB       ILE 105  -5.558  -6.463  -0.273
  954   HG12  ILE 105          HG12      ILE 105  -6.062  -3.492   0.268
  955   HG13  ILE 105          HG13      ILE 105  -7.284  -4.737   0.498
  956   HG21  ILE 105          HG21      ILE 105  -3.996  -3.971  -1.120
  957   HG22  ILE 105          HG22      ILE 105  -3.537  -5.046   0.210
  958   HG23  ILE 105          HG23      ILE 105  -3.538  -5.661  -1.432
  959   HD11  ILE 105          HD11      ILE 105  -5.797  -5.882   2.160
  960   HD12  ILE 105          HD12      ILE 105  -4.694  -4.477   2.057
  961   HD13  ILE 105          HD13      ILE 105  -6.353  -4.270   2.602
  962    H    TYR 106           H        TYR 106  -5.997  -7.753  -2.671
  963    HA   TYR 106           HA       TYR 106  -3.848  -7.471  -4.452
  964    HB2  TYR 106           HB2      TYR 106  -6.050  -9.542  -4.464
  965    HB3  TYR 106           HB3      TYR 106  -4.567  -9.658  -5.396
  966    HD1  TYR 106           HD2      TYR 106  -2.583  -8.665  -3.181
  967    HD2  TYR 106           HD1      TYR 106  -5.844 -11.499  -3.204
  968    HE1  TYR 106           HE2      TYR 106  -1.523  -9.907  -1.314
  969    HE2  TYR 106           HE1      TYR 106  -4.735 -12.775  -1.388
  970    HH   TYR 106           HH       TYR 106  -1.563 -11.843  -0.069
  971    H    THR 107           H        THR 107  -7.328  -7.364  -5.355
  972    HA   THR 107           HA       THR 107  -6.694  -6.890  -8.126
  973    HB   THR 107           HB       THR 107  -8.844  -7.868  -7.265
  974    HG1  THR 107           HG1      THR 107  -9.905  -7.042  -9.055
  975   HG21  THR 107          HG21      THR 107  -9.578  -6.083  -5.742
  976   HG22  THR 107          HG22      THR 107 -10.738  -6.323  -7.047
  977   HG23  THR 107          HG23      THR 107  -9.640  -4.925  -7.091
  978    H    MET 108           H        MET 108  -7.268  -4.604  -5.452
  979    HA   MET 108           HA       MET 108  -7.095  -2.249  -7.112
  980    HB2  MET 108           HB2      MET 108  -6.525  -2.650  -4.149
  981    HB3  MET 108           HB3      MET 108  -6.493  -1.088  -4.984
  982    HG2  MET 108           HG2      MET 108  -8.850  -1.522  -5.755
  983    HG3  MET 108           HG3      MET 108  -8.903  -2.916  -4.694
  984    HE1  MET 108           HE1      MET 108  -8.710  -1.141  -1.117
  985    HE2  MET 108           HE2      MET 108  -8.699  -2.704  -1.964
  986    HE3  MET 108           HE3      MET 108  -7.270  -1.656  -2.020
  987    H    MET 109           H        MET 109  -4.544  -4.125  -5.401
  988    HA   MET 109           HA       MET 109  -2.371  -2.405  -6.189
  989    HB2  MET 109           HB2      MET 109  -2.465  -5.336  -5.360
  990    HB3  MET 109           HB3      MET 109  -0.971  -4.463  -5.682
  991    HG2  MET 109           HG2      MET 109  -3.008  -3.781  -3.534
  992    HG3  MET 109           HG3      MET 109  -1.447  -4.540  -3.287
  993    HE1  MET 109           HE1      MET 109   0.526  -2.778  -5.161
  994    HE2  MET 109           HE2      MET 109   1.013  -1.546  -3.986
  995    HE3  MET 109           HE3      MET 109   0.908  -3.248  -3.486
  996    H    ALA 110           H        ALA 110  -3.816  -5.297  -7.753
  997    HA   ALA 110           HA       ALA 110  -2.000  -5.409  -9.957
  998    HB1  ALA 110           HB1      ALA 110  -3.516  -7.227  -9.304
  999    HB2  ALA 110           HB2      ALA 110  -4.925  -6.223  -9.698
 1000    HB3  ALA 110           HB3      ALA 110  -3.816  -6.747 -10.987
 1001    H    SER 111           H        SER 111  -4.900  -3.384  -9.414
 1002    HA   SER 111           HA       SER 111  -4.930  -2.210 -12.058
 1003    HB2  SER 111           HB2      SER 111  -6.875  -2.192 -10.529
 1004    HB3  SER 111           HB3      SER 111  -5.998  -1.116  -9.431
 1005    HG   SER 111           HG       SER 111  -6.886  -0.583 -12.079
 1006    H    MET 112           H        MET 112  -3.182  -1.327  -9.035
 1007    HA   MET 112           HA       MET 112  -2.238   1.197  -9.945
 1008    HB2  MET 112           HB2      MET 112  -0.892  -0.682  -7.972
 1009    HB3  MET 112           HB3      MET 112  -0.478   1.014  -8.279
 1010    HG2  MET 112           HG2      MET 112  -2.811   1.662  -7.680
 1011    HG3  MET 112           HG3      MET 112  -3.102  -0.017  -7.222
 1012    HE1  MET 112           HE1      MET 112  -3.213   1.728  -3.849
 1013    HE2  MET 112           HE2      MET 112  -3.877   2.124  -5.458
 1014    HE3  MET 112           HE3      MET 112  -3.912   0.449  -4.874
 1015    H    THR 113           H        THR 113  -1.014  -2.018 -10.624
 1016    HA   THR 113           HA       THR 113   1.312  -0.941 -12.060
 1017    HB   THR 113           HB       THR 113   2.277  -3.013 -12.118
 1018    HG1  THR 113           HG1      THR 113   1.154  -4.901 -11.604
 1019   HG21  THR 113          HG21      THR 113   2.175  -3.857  -9.777
 1020   HG22  THR 113          HG22      THR 113   0.755  -2.875  -9.460
 1021   HG23  THR 113          HG23      THR 113   2.303  -2.091  -9.838
 1022    H    GLY 114           H        GLY 114  -1.787  -1.247 -12.903
 1023    HA2  GLY 114           HA2      GLY 114  -1.364  -1.837 -15.773
 1024    HA3  GLY 114           HA3      GLY 114  -2.867  -1.348 -14.987
 1025    H    GLY 115           H        GLY 115  -2.559  -0.053 -17.184
 1026    HA2  GLY 115           HA2      GLY 115  -0.845   2.154 -17.456
 1027    HA3  GLY 115           HA3      GLY 115  -2.419   1.996 -18.226
 1028    H    GLN 116           H        GLN 116  -1.542   4.466 -17.654
 1029    HA   GLN 116           HA       GLN 116  -2.056   5.405 -15.013
 1030    HB2  GLN 116           HB2      GLN 116  -0.349   6.384 -16.340
 1031    HB3  GLN 116           HB3      GLN 116  -1.465   6.735 -17.651
 1032    HG2  GLN 116           HG2      GLN 116  -0.823   8.765 -16.583
 1033    HG3  GLN 116           HG3      GLN 116  -2.535   8.508 -16.339
 1034   HE21  GLN 116          HE21      GLN 116  -0.576  10.201 -14.786
 1035   HE22  GLN 116          HE22      GLN 116  -0.751   9.618 -13.136
 1036    H    GLN 117           H        GLN 117  -3.566   6.768 -14.151
 1037    HA   GLN 117           HA       GLN 117  -6.135   7.259 -15.606
 1038    HB2  GLN 117           HB2      GLN 117  -5.778   6.442 -12.694
 1039    HB3  GLN 117           HB3      GLN 117  -7.242   7.162 -13.352
 1040    HG2  GLN 117           HG2      GLN 117  -7.672   4.860 -13.320
 1041    HG3  GLN 117           HG3      GLN 117  -7.420   5.297 -15.006
 1042   HE21  GLN 117          HE21      GLN 117  -6.691   3.282 -15.792
 1043   HE22  GLN 117          HE22      GLN 117  -5.150   2.619 -15.254
 1044    H    MET 118           H        MET 118  -4.700   9.164 -16.213
 1045    HA   MET 118           HA       MET 118  -4.185  11.202 -14.207
 1046    HB2  MET 118           HB2      MET 118  -2.810  10.924 -16.210
 1047    HB3  MET 118           HB3      MET 118  -4.188  11.319 -17.247
 1048    HG2  MET 118           HG2      MET 118  -4.242  13.598 -16.387
 1049    HG3  MET 118           HG3      MET 118  -3.057  13.195 -15.143
 1050    HE1  MET 118           HE1      MET 118  -2.127  13.718 -19.659
 1051    HE2  MET 118           HE2      MET 118  -3.066  12.329 -19.078
 1052    HE3  MET 118           HE3      MET 118  -3.715  13.978 -18.908
 1053    H    GLY 119           H        GLY 119  -6.889  10.545 -16.368
 1054    HA2  GLY 119           HA2      GLY 119  -8.250  13.116 -16.057
 1055    HA3  GLY 119           HA3      GLY 119  -8.886  11.661 -16.820
  Start of MODEL    2
    1    H1   MET -11           H1       MET -11  -0.165  -7.529  22.189
    2    H2   MET -11           H2       MET -11  -1.698  -8.092  22.088
    3    H3   MET -11           H3       MET -11  -1.232  -7.228  23.396
    4    HA   MET -11           HA       MET -11  -2.588  -5.879  21.946
    5    HB2  MET -11           HB2      MET -11  -0.913  -4.771  23.321
    6    HB3  MET -11           HB3      MET -11   0.334  -5.039  22.100
    7    HG2  MET -11           HG2      MET -11  -0.850  -3.582  20.522
    8    HG3  MET -11           HG3      MET -11  -2.162  -3.350  21.677
    9    HE1  MET -11           HE1      MET -11  -0.639  -1.007  24.373
   10    HE2  MET -11           HE2      MET -11  -2.101  -1.792  23.739
   11    HE3  MET -11           HE3      MET -11  -0.815  -2.769  24.488
   12    HA   PRO -10           HA       PRO -10  -2.041  -7.013  17.633
   13    HB2  PRO -10           HB2      PRO -10  -3.981  -5.463  16.495
   14    HB3  PRO -10           HB3      PRO -10  -4.357  -6.894  17.504
   15    HG2  PRO -10           HG2      PRO -10  -4.264  -3.982  18.374
   16    HG3  PRO -10           HG3      PRO -10  -5.583  -5.171  18.640
   17    HD2  PRO -10           HD2      PRO -10  -3.722  -4.671  20.544
   18    HD3  PRO -10           HD3      PRO -10  -4.330  -6.332  20.274
   19    H    ARG  -9           H        ARG  -9  -1.368  -6.041  15.625
   20    HA   ARG  -9           HA       ARG  -9  -0.387  -3.224  15.633
   21    HB2  ARG  -9           HB2      ARG  -9   1.283  -5.653  14.875
   22    HB3  ARG  -9           HB3      ARG  -9   1.795  -3.987  14.686
   23    HG2  ARG  -9           HG2      ARG  -9   1.247  -5.250  17.418
   24    HG3  ARG  -9           HG3      ARG  -9   2.785  -5.333  16.585
   25    HD2  ARG  -9           HD2      ARG  -9   3.018  -3.587  18.100
   26    HD3  ARG  -9           HD3      ARG  -9   2.869  -2.819  16.515
   27    HE   ARG  -9           HE       ARG  -9   0.266  -2.891  17.588
   28   HH11  ARG  -9          HH11      ARG  -9   3.258  -1.597  18.885
   29   HH12  ARG  -9          HH12      ARG  -9   2.415  -0.362  19.782
   30   HH21  ARG  -9          HH21      ARG  -9  -0.663  -1.145  18.458
   31   HH22  ARG  -9          HH22      ARG  -9   0.214  -0.165  19.618
   32    H    PHE  -8           H        PHE  -8  -0.139  -2.321  13.564
   33    HA   PHE  -8           HA       PHE  -8  -1.803  -3.290  11.475
   34    HB2  PHE  -8           HB2      PHE  -8  -1.539  -1.022  11.430
   35    HB3  PHE  -8           HB3      PHE  -8   0.198  -1.094  11.681
   36    HD1  PHE  -8           HD2      PHE  -8  -2.472  -1.654   9.129
   37    HD2  PHE  -8           HD1      PHE  -8   1.754  -1.195   9.867
   38    HE1  PHE  -8           HE2      PHE  -8  -2.045  -1.581   6.682
   39    HE2  PHE  -8           HE1      PHE  -8   2.173  -1.144   7.424
   40    HZ   PHE  -8           HZ       PHE  -8   0.278  -1.349   5.829
   41    H    TRP  -7           H        TRP  -7   1.737  -3.530  11.684
   42    HA   TRP  -7           HA       TRP  -7   2.072  -4.630   9.103
   43    HB2  TRP  -7           HB2      TRP  -7   3.844  -3.539  10.312
   44    HB3  TRP  -7           HB3      TRP  -7   3.835  -4.785  11.557
   45    HD1  TRP  -7           HD1      TRP  -7   5.001  -7.081  11.024
   46    HE1  TRP  -7           HE1      TRP  -7   6.517  -7.951   9.147
   47    HE3  TRP  -7           HE3      TRP  -7   4.332  -3.299   7.632
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.241  -7.177   6.462
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.442  -3.413   5.404
   50    HH2  TRP  -7           HH2      TRP  -7   6.871  -5.336   4.809
   51    H    GLU  -6           H        GLU  -6   1.359  -6.318  12.137
   52    HA   GLU  -6           HA       GLU  -6   1.913  -8.991  11.273
   53    HB2  GLU  -6           HB2      GLU  -6  -0.120  -7.886  13.255
   54    HB3  GLU  -6           HB3      GLU  -6   0.214  -9.612  13.032
   55    HG2  GLU  -6           HG2      GLU  -6   2.575  -9.272  13.634
   56    HG3  GLU  -6           HG3      GLU  -6   2.293  -7.545  13.863
   57    H    TYR  -5           H        TYR  -5  -0.925  -6.921  10.737
   58    HA   TYR  -5           HA       TYR  -5  -2.343  -8.991   9.240
   59    HB2  TYR  -5           HB2      TYR  -5  -2.950  -6.122   9.868
   60    HB3  TYR  -5           HB3      TYR  -5  -3.794  -6.962   8.580
   61    HD1  TYR  -5           HD1      TYR  -5  -5.158  -8.960   8.978
   62    HD2  TYR  -5           HD2      TYR  -5  -3.392  -6.730  12.225
   63    HE1  TYR  -5           HE1      TYR  -5  -6.690 -10.078  10.578
   64    HE2  TYR  -5           HE2      TYR  -5  -4.961  -7.820  13.824
   65    HH   TYR  -5           HH       TYR  -5  -6.647  -9.362  14.092
   66    H    TRP  -4           H        TRP  -4  -0.429  -6.157   8.364
   67    HA   TRP  -4           HA       TRP  -4  -0.861  -6.306   5.527
   68    HB2  TRP  -4           HB2      TRP  -4   0.042  -4.395   6.980
   69    HB3  TRP  -4           HB3      TRP  -4   1.582  -5.258   7.015
   70    HD1  TRP  -4           HD1      TRP  -4   3.037  -5.232   4.824
   71    HE1  TRP  -4           HE1      TRP  -4   2.864  -4.024   2.558
   72    HE3  TRP  -4           HE3      TRP  -4  -1.766  -3.519   5.179
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.821  -2.750   0.997
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.840  -2.397   3.244
   75    HH2  TRP  -4           HH2      TRP  -4  -1.563  -1.993   1.156
   76    H    LEU  -3           H        LEU  -3   1.527  -7.985   7.596
   77    HA   LEU  -3           HA       LEU  -3   3.122  -9.057   5.541
   78    HB2  LEU  -3           HB2      LEU  -3   3.526  -9.048   8.041
   79    HB3  LEU  -3           HB3      LEU  -3   2.338 -10.343   8.185
   80    HG   LEU  -3           HG       LEU  -3   3.831 -11.746   6.655
   81   HD11  LEU  -3          HD11      LEU  -3   6.193 -11.033   6.446
   82   HD12  LEU  -3          HD12      LEU  -3   5.803  -9.481   7.221
   83   HD13  LEU  -3          HD13      LEU  -3   5.133  -9.879   5.631
   84   HD21  LEU  -3          HD21      LEU  -3   5.455 -12.247   8.442
   85   HD22  LEU  -3          HD22      LEU  -3   3.830 -12.014   9.103
   86   HD23  LEU  -3          HD23      LEU  -3   5.040 -10.722   9.261
   87    H    ARG  -2           H        ARG  -2  -0.091 -10.071   6.592
   88    HA   ARG  -2           HA       ARG  -2  -0.140 -12.680   5.331
   89    HB2  ARG  -2           HB2      ARG  -2  -2.444 -10.838   6.027
   90    HB3  ARG  -2           HB3      ARG  -2  -2.573 -12.540   5.627
   91    HG2  ARG  -2           HG2      ARG  -2  -1.122 -11.403   8.059
   92    HG3  ARG  -2           HG3      ARG  -2  -2.732 -12.104   8.066
   93    HD2  ARG  -2           HD2      ARG  -2  -0.187 -13.603   7.320
   94    HD3  ARG  -2           HD3      ARG  -2  -0.967 -13.652   8.895
   95    HE   ARG  -2           HE       ARG  -2  -2.990 -14.596   7.784
   96   HH11  ARG  -2          HH11      ARG  -2   0.144 -15.268   6.227
   97   HH12  ARG  -2          HH12      ARG  -2  -0.554 -16.643   5.408
   98   HH21  ARG  -2          HH21      ARG  -2  -3.680 -16.325   6.750
   99   HH22  ARG  -2          HH22      ARG  -2  -2.640 -17.244   5.688
  100    H    LEU  -1           H        LEU  -1  -0.578  -9.458   4.052
  101    HA   LEU  -1           HA       LEU  -1  -1.854 -10.229   1.574
  102    HB2  LEU  -1           HB2      LEU  -1  -0.148  -7.839   2.360
  103    HB3  LEU  -1           HB3      LEU  -1  -0.847  -8.010   0.780
  104    HG   LEU  -1           HG       LEU  -1  -2.495  -7.862   3.330
  105   HD11  LEU  -1          HD11      LEU  -1  -1.225  -5.815   2.804
  106   HD12  LEU  -1          HD12      LEU  -1  -2.956  -5.567   2.492
  107   HD13  LEU  -1          HD13      LEU  -1  -1.827  -5.847   1.142
  108   HD21  LEU  -1          HD21      LEU  -1  -3.662  -9.048   1.455
  109   HD22  LEU  -1          HD22      LEU  -1  -3.283  -7.698   0.373
  110   HD23  LEU  -1          HD23      LEU  -1  -4.362  -7.452   1.761
  111    H    MET   0           H        MET   0   1.623  -9.540   2.376
  112    HA   MET   0           HA       MET   0   2.434 -10.267  -0.281
  113    HB2  MET   0           HB2      MET   0   4.706 -10.101   0.466
  114    HB3  MET   0           HB3      MET   0   3.767  -8.740   1.078
  115    HG2  MET   0           HG2      MET   0   3.728  -9.689   3.308
  116    HG3  MET   0           HG3      MET   0   4.392 -11.219   2.731
  117    HE1  MET   0           HE1      MET   0   5.552  -7.454   1.947
  118    HE2  MET   0           HE2      MET   0   5.034  -7.553   3.658
  119    HE3  MET   0           HE3      MET   0   6.745  -7.291   3.252
  120    H    GLU   1           H        GLU   1   1.952 -12.134   2.639
  121    HA   GLU   1           HA       GLU   1   3.038 -14.652   1.669
  122    HB2  GLU   1           HB2      GLU   1   1.121 -13.895   3.893
  123    HB3  GLU   1           HB3      GLU   1   1.608 -15.565   3.580
  124    HG2  GLU   1           HG2      GLU   1   3.953 -15.037   3.933
  125    HG3  GLU   1           HG3      GLU   1   3.584 -13.335   4.193
  126    H    GLY   2           H        GLY   2   0.542 -12.961   0.321
  127    HA2  GLY   2           HA2      GLY   2  -0.926 -13.567  -1.327
  128    HA3  GLY   2           HA3      GLY   2  -0.332 -15.223  -1.219
  129    H    GLY   3           H        GLY   3  -1.652 -13.816   1.715
  130    HA2  GLY   3           HA2      GLY   3  -3.463 -14.366   2.995
  131    HA3  GLY   3           HA3      GLY   3  -4.378 -14.589   1.500
  132    H    GLY   4           H        GLY   4  -1.554 -16.594   1.986
  133    HA2  GLY   4           HA2      GLY   4  -2.783 -18.962   1.347
  134    HA3  GLY   4           HA3      GLY   4  -1.277 -18.873   2.256
  135    H    GLU   5           H        GLU   5  -3.758 -20.632   2.305
  136    HA   GLU   5           HA       GLU   5  -5.108 -21.773   3.670
  137    HB2  GLU   5           HB2      GLU   5  -3.326 -20.883   5.955
  138    HB3  GLU   5           HB3      GLU   5  -4.452 -22.225   5.983
  139    HG2  GLU   5           HG2      GLU   5  -1.966 -22.031   4.232
  140    HG3  GLU   5           HG3      GLU   5  -2.124 -22.949   5.721
  141    H    ASN   6           H        ASN   6  -5.382 -18.544   3.619
  142    HA   ASN   6           HA       ASN   6  -7.839 -18.611   5.340
  143    HB2  ASN   6           HB2      ASN   6  -5.884 -16.324   4.883
  144    HB3  ASN   6           HB3      ASN   6  -7.450 -16.158   5.665
  145   HD21  ASN   6          HD21      ASN   6  -6.563 -19.087   6.905
  146   HD22  ASN   6          HD22      ASN   6  -5.717 -18.463   8.317
  147    H    LEU   7           H        LEU   7  -7.011 -18.684   2.170
  148    HA   LEU   7           HA       LEU   7  -8.782 -16.672   1.079
  149    HB2  LEU   7           HB2      LEU   7  -7.727 -19.197  -0.244
  150    HB3  LEU   7           HB3      LEU   7  -8.447 -17.808  -1.052
  151    HG   LEU   7           HG       LEU   7  -5.778 -17.895   0.412
  152   HD11  LEU   7          HD11      LEU   7  -6.488 -17.367  -2.496
  153   HD12  LEU   7          HD12      LEU   7  -5.833 -18.887  -1.841
  154   HD13  LEU   7          HD13      LEU   7  -4.856 -17.407  -1.788
  155   HD21  LEU   7          HD21      LEU   7  -5.497 -15.536  -0.440
  156   HD22  LEU   7          HD22      LEU   7  -6.696 -15.686   0.848
  157   HD23  LEU   7          HD23      LEU   7  -7.226 -15.522  -0.839
  158    H    TYR   8           H        TYR   8 -10.747 -16.955  -0.039
  159    HA   TYR   8           HA       TYR   8 -12.610 -18.365   1.543
  160    HB2  TYR   8           HB2      TYR   8 -13.311 -16.319   0.833
  161    HB3  TYR   8           HB3      TYR   8 -12.884 -16.624  -0.843
  162    HD1  TYR   8           HD2      TYR   8 -15.278 -17.720   1.825
  163    HD2  TYR   8           HD1      TYR   8 -14.522 -17.292  -2.407
  164    HE1  TYR   8           HE2      TYR   8 -17.636 -18.359   1.334
  165    HE2  TYR   8           HE1      TYR   8 -16.893 -17.901  -2.883
  166    HH   TYR   8           HH       TYR   8 -18.914 -18.515  -2.011
  167    H    PHE   9           H        PHE   9 -13.979 -20.054   1.374
  168    HA   PHE   9           HA       PHE   9 -12.975 -22.245  -0.115
  169    HB2  PHE   9           HB2      PHE   9 -15.041 -23.462   0.780
  170    HB3  PHE   9           HB3      PHE   9 -13.752 -22.943   1.849
  171    HD1  PHE   9           HD2      PHE   9 -17.220 -22.153   0.740
  172    HD2  PHE   9           HD1      PHE   9 -14.106 -21.333   3.611
  173    HE1  PHE   9           HE2      PHE   9 -18.848 -20.923   2.156
  174    HE2  PHE   9           HE1      PHE   9 -15.734 -20.089   5.017
  175    HZ   PHE   9           HZ       PHE   9 -18.106 -19.886   4.294
  176    H    GLN  10           H        GLN  10 -13.444 -23.320  -1.838
  177    HA   GLN  10           HA       GLN  10 -14.103 -23.853  -3.884
  178    HB2  GLN  10           HB2      GLN  10 -16.095 -24.582  -2.757
  179    HB3  GLN  10           HB3      GLN  10 -16.844 -22.990  -2.924
  180    HG2  GLN  10           HG2      GLN  10 -16.977 -23.218  -5.336
  181    HG3  GLN  10           HG3      GLN  10 -15.992 -24.688  -5.302
  182   HE21  GLN  10          HE21      GLN  10 -19.126 -23.391  -3.992
  183   HE22  GLN  10          HE22      GLN  10 -19.913 -24.963  -4.010
  184    H    GLY  11           H        GLY  11 -15.438 -20.585  -3.227
  185    HA2  GLY  11           HA2      GLY  11 -15.457 -19.847  -6.047
  186    HA3  GLY  11           HA3      GLY  11 -15.847 -18.822  -4.673
  187    H    MET  12           H        MET  12 -12.832 -19.970  -3.926
  188    HA   MET  12           HA       MET  12 -11.268 -18.108  -5.607
  189    HB2  MET  12           HB2      MET  12 -12.073 -16.810  -3.635
  190    HB3  MET  12           HB3      MET  12 -11.275 -17.964  -2.565
  191    HG2  MET  12           HG2      MET  12  -9.083 -17.342  -3.489
  192    HG3  MET  12           HG3      MET  12  -9.874 -16.267  -4.650
  193    HE1  MET  12           HE1      MET  12  -7.546 -15.163  -3.231
  194    HE2  MET  12           HE2      MET  12  -8.630 -14.089  -4.141
  195    HE3  MET  12           HE3      MET  12  -8.101 -13.641  -2.504
  196    H    SER  13           H        SER  13  -8.996 -18.492  -5.557
  197    HA   SER  13           HA       SER  13  -7.931 -20.834  -4.139
  198    HB2  SER  13           HB2      SER  13  -6.976 -21.839  -6.157
  199    HB3  SER  13           HB3      SER  13  -8.746 -21.862  -6.200
  200    HG   SER  13           HG       SER  13  -8.739 -20.216  -7.685
  201    H    VAL  14           H        VAL  14  -5.540 -21.050  -4.543
  202    HA   VAL  14           HA       VAL  14  -4.267 -18.673  -3.760
  203    HB   VAL  14           HB       VAL  14  -2.903 -21.115  -4.888
  204   HG11  VAL  14          HG11      VAL  14  -1.938 -19.037  -2.870
  205   HG12  VAL  14          HG12      VAL  14  -1.046 -20.478  -3.394
  206   HG13  VAL  14          HG13      VAL  14  -1.372 -19.190  -4.551
  207   HG21  VAL  14          HG21      VAL  14  -2.749 -21.890  -2.524
  208   HG22  VAL  14          HG22      VAL  14  -3.825 -20.564  -2.037
  209   HG23  VAL  14          HG23      VAL  14  -4.409 -21.861  -3.107
  210    HA   PRO  15           HA       PRO  15  -3.644 -16.764  -7.773
  211    HB2  PRO  15           HB2      PRO  15  -2.107 -14.612  -7.066
  212    HB3  PRO  15           HB3      PRO  15  -3.846 -14.747  -6.660
  213    HG2  PRO  15           HG2      PRO  15  -1.465 -15.434  -4.900
  214    HG3  PRO  15           HG3      PRO  15  -2.887 -14.418  -4.491
  215    HD2  PRO  15           HD2      PRO  15  -2.760 -17.046  -3.798
  216    HD3  PRO  15           HD3      PRO  15  -4.302 -16.303  -4.320
  217    H    THR  16           H        THR  16  -2.033 -16.408  -9.344
  218    HA   THR  16           HA       THR  16   0.683 -17.356  -8.742
  219    HB   THR  16           HB       THR  16  -0.261 -18.107 -11.442
  220    HG1  THR  16           HG1      THR  16  -1.836 -19.003 -10.161
  221   HG21  THR  16          HG21      THR  16   1.401 -19.876 -11.073
  222   HG22  THR  16          HG22      THR  16   1.615 -19.352  -9.382
  223   HG23  THR  16          HG23      THR  16   2.120 -18.292 -10.710
  224    H    ASP  17           H        ASP  17   0.349 -14.913  -8.461
  225    HA   ASP  17           HA       ASP  17   0.473 -13.256 -10.750
  226    HB2  ASP  17           HB2      ASP  17   1.042 -12.716  -7.840
  227    HB3  ASP  17           HB3      ASP  17   1.187 -11.466  -9.068
  228    H    GLY  18           H        GLY  18   3.109 -14.970  -9.432
  229    HA2  GLY  18           HA2      GLY  18   5.259 -13.332 -10.488
  230    HA3  GLY  18           HA3      GLY  18   5.336 -15.042 -10.050
  231    H    ALA  19           H        ALA  19   2.987 -15.519 -11.985
  232    HA   ALA  19           HA       ALA  19   2.611 -16.323 -14.019
  233    HB1  ALA  19           HB1      ALA  19   4.079 -13.813 -14.892
  234    HB2  ALA  19           HB2      ALA  19   2.873 -14.718 -15.829
  235    HB3  ALA  19           HB3      ALA  19   2.392 -13.897 -14.332
  236    H    VAL  20           H        VAL  20   5.894 -16.325 -13.250
  237    HA   VAL  20           HA       VAL  20   6.621 -18.165 -15.460
  238    HB   VAL  20           HB       VAL  20   8.451 -15.939 -14.520
  239   HG11  VAL  20          HG11      VAL  20   8.525 -17.774 -16.954
  240   HG12  VAL  20          HG12      VAL  20   9.632 -16.416 -16.668
  241   HG13  VAL  20          HG13      VAL  20   9.651 -17.786 -15.573
  242   HG21  VAL  20          HG21      VAL  20   6.674 -15.901 -16.987
  243   HG22  VAL  20          HG22      VAL  20   6.604 -14.784 -15.600
  244   HG23  VAL  20          HG23      VAL  20   8.006 -14.771 -16.660
  245    H    THR  21           H        THR  21   8.345 -19.636 -14.976
  246    HA   THR  21           HA       THR  21   9.374 -19.631 -12.232
  247    HB   THR  21           HB       THR  21   7.337 -21.128 -12.314
  248    HG1  THR  21           HG1      THR  21   8.653 -22.740 -11.106
  249   HG21  THR  21          HG21      THR  21   9.329 -23.098 -13.538
  250   HG22  THR  21          HG22      THR  21   7.960 -22.380 -14.420
  251   HG23  THR  21          HG23      THR  21   7.661 -23.418 -13.017
  252    H    THR  22           H        THR  22  11.169 -20.835 -11.744
  253    HA   THR  22           HA       THR  22  12.744 -22.021 -13.877
  254    HB   THR  22           HB       THR  22  13.222 -19.552 -13.946
  255    HG1  THR  22           HG1      THR  22  14.584 -20.905 -14.963
  256   HG21  THR  22          HG21      THR  22  14.854 -18.626 -12.427
  257   HG22  THR  22          HG22      THR  22  14.919 -20.124 -11.482
  258   HG23  THR  22          HG23      THR  22  13.435 -19.142 -11.505
  259    H    SER  23           H        SER  23  11.422 -22.821 -11.353
  260    HA   SER  23           HA       SER  23  13.347 -23.370  -9.340
  261    HB2  SER  23           HB2      SER  23  11.585 -24.745  -8.342
  262    HB3  SER  23           HB3      SER  23  10.974 -23.175  -8.889
  263    HG   SER  23           HG       SER  23   9.595 -24.937  -9.462
  264    H    GLN  24           H        GLN  24  14.196 -25.251  -8.582
  265    HA   GLN  24           HA       GLN  24  14.020 -27.821  -9.869
  266    HB2  GLN  24           HB2      GLN  24  15.667 -26.773 -11.412
  267    HB3  GLN  24           HB3      GLN  24  16.679 -26.326 -10.046
  268    HG2  GLN  24           HG2      GLN  24  17.600 -28.279 -11.136
  269    HG3  GLN  24           HG3      GLN  24  17.059 -28.733  -9.525
  270   HE21  GLN  24          HE21      GLN  24  15.868 -28.681 -12.966
  271   HE22  GLN  24          HE22      GLN  24  14.914 -30.147 -12.784
  272    H    ILE  25           H        ILE  25  16.185 -25.837  -7.867
  273    HA   ILE  25           HA       ILE  25  16.336 -27.706  -5.624
  274    HB   ILE  25           HB       ILE  25  17.497 -25.826  -4.509
  275   HG12  ILE  25          HG12      ILE  25  17.130 -24.202  -7.059
  276   HG13  ILE  25          HG13      ILE  25  16.161 -23.969  -5.605
  277   HG21  ILE  25          HG21      ILE  25  18.556 -26.275  -7.324
  278   HG22  ILE  25          HG22      ILE  25  19.486 -25.871  -5.868
  279   HG23  ILE  25          HG23      ILE  25  18.684 -27.436  -5.985
  280   HD11  ILE  25          HD11      ILE  25  18.219 -23.468  -4.300
  281   HD12  ILE  25          HD12      ILE  25  19.173 -23.594  -5.800
  282   HD13  ILE  25          HD13      ILE  25  17.938 -22.337  -5.639
  283    HA   PRO  26           HA       PRO  26  12.744 -26.623  -3.358
  284    HB2  PRO  26           HB2      PRO  26  14.408 -25.579  -1.059
  285    HB3  PRO  26           HB3      PRO  26  13.017 -26.709  -1.022
  286    HG2  PRO  26           HG2      PRO  26  15.517 -27.696  -0.861
  287    HG3  PRO  26           HG3      PRO  26  14.346 -28.476  -1.980
  288    HD2  PRO  26           HD2      PRO  26  16.498 -26.442  -2.626
  289    HD3  PRO  26           HD3      PRO  26  16.124 -27.980  -3.461
  290    H    ALA  27           H        ALA  27  15.062 -23.932  -3.461
  291    HA   ALA  27           HA       ALA  27  13.096 -21.837  -2.958
  292    HB1  ALA  27           HB1      ALA  27  15.867 -21.735  -4.220
  293    HB2  ALA  27           HB2      ALA  27  14.902 -20.340  -3.696
  294    HB3  ALA  27           HB3      ALA  27  15.492 -21.508  -2.497
  295    H    SER  28           H        SER  28  11.651 -20.998  -4.374
  296    HA   SER  28           HA       SER  28  11.320 -22.180  -6.980
  297    HB2  SER  28           HB2      SER  28   9.316 -20.844  -7.105
  298    HB3  SER  28           HB3      SER  28   9.464 -21.520  -5.478
  299    HG   SER  28           HG       SER  28   8.937 -19.346  -5.297
  300    H    GLU  29           H        GLU  29  12.755 -19.186  -5.899
  301    HA   GLU  29           HA       GLU  29  13.717 -17.412  -6.869
  302    HB2  GLU  29           HB2      GLU  29  15.111 -19.373  -7.704
  303    HB3  GLU  29           HB3      GLU  29  14.280 -19.213  -9.234
  304    HG2  GLU  29           HG2      GLU  29  16.421 -18.189  -9.401
  305    HG3  GLU  29           HG3      GLU  29  15.235 -16.910  -9.498
  306    H    GLN  30           H        GLN  30  10.831 -17.800  -7.348
  307    HA   GLN  30           HA       GLN  30  10.208 -16.584  -9.921
  308    HB2  GLN  30           HB2      GLN  30   8.474 -17.218  -7.509
  309    HB3  GLN  30           HB3      GLN  30   7.877 -16.616  -9.068
  310    HG2  GLN  30           HG2      GLN  30   8.823 -18.597 -10.212
  311    HG3  GLN  30           HG3      GLN  30   9.379 -19.233  -8.674
  312   HE21  GLN  30          HE21      GLN  30   7.871 -20.971  -9.927
  313   HE22  GLN  30          HE22      GLN  30   6.235 -21.004  -9.266
  314    H    GLU  31           H        GLU  31  11.963 -14.890  -8.908
  315    HA   GLU  31           HA       GLU  31  10.766 -12.689  -7.395
  316    HB2  GLU  31           HB2      GLU  31  13.497 -12.920  -8.713
  317    HB3  GLU  31           HB3      GLU  31  13.016 -11.694  -7.543
  318    HG2  GLU  31           HG2      GLU  31  13.283 -14.684  -7.017
  319    HG3  GLU  31           HG3      GLU  31  14.407 -13.429  -6.529
  320    H    THR  32           H        THR  32   9.346 -13.105  -9.804
  321    HA   THR  32           HA       THR  32  10.180 -11.510 -11.922
  322    HB   THR  32           HB       THR  32   7.260 -11.969 -11.568
  323    HG1  THR  32           HG1      THR  32   7.532 -14.056 -12.214
  324   HG21  THR  32          HG21      THR  32   8.044 -10.925 -13.662
  325   HG22  THR  32          HG22      THR  32   7.427 -12.551 -13.970
  326   HG23  THR  32          HG23      THR  32   9.179 -12.273 -13.923
  327    H    LEU  33           H        LEU  33   9.936  -9.536 -12.705
  328    HA   LEU  33           HA       LEU  33   9.188  -7.438 -10.786
  329    HB2  LEU  33           HB2      LEU  33  10.560  -7.364 -13.495
  330    HB3  LEU  33           HB3      LEU  33  10.286  -5.955 -12.482
  331    HG   LEU  33           HG       LEU  33  11.981  -8.353 -11.643
  332   HD11  LEU  33          HD11      LEU  33  13.899  -6.859 -12.067
  333   HD12  LEU  33          HD12      LEU  33  12.796  -5.616 -12.701
  334   HD13  LEU  33          HD13      LEU  33  12.976  -7.166 -13.546
  335   HD21  LEU  33          HD21      LEU  33  11.671  -5.573 -10.417
  336   HD22  LEU  33          HD22      LEU  33  12.823  -6.816  -9.894
  337   HD23  LEU  33          HD23      LEU  33  11.094  -7.099  -9.707
  338    H    VAL  34           H        VAL  34   7.924  -5.724 -11.175
  339    HA   VAL  34           HA       VAL  34   6.146  -5.610 -13.529
  340    HB   VAL  34           HB       VAL  34   4.227  -5.165 -12.390
  341   HG11  VAL  34          HG11      VAL  34   5.576  -7.026 -10.424
  342   HG12  VAL  34          HG12      VAL  34   3.843  -6.911 -10.808
  343   HG13  VAL  34          HG13      VAL  34   4.972  -7.508 -12.038
  344   HG21  VAL  34          HG21      VAL  34   4.122  -4.754  -9.866
  345   HG22  VAL  34          HG22      VAL  34   5.859  -4.454  -9.929
  346   HG23  VAL  34          HG23      VAL  34   4.732  -3.432 -10.857
  347    H    ARG  35           H        ARG  35   5.190  -3.501 -13.909
  348    HA   ARG  35           HA       ARG  35   7.039  -1.273 -13.173
  349    HB2  ARG  35           HB2      ARG  35   5.388  -1.690 -15.681
  350    HB3  ARG  35           HB3      ARG  35   6.183  -0.163 -15.268
  351    HG2  ARG  35           HG2      ARG  35   8.378  -1.260 -15.231
  352    HG3  ARG  35           HG3      ARG  35   7.641  -2.819 -15.635
  353    HD2  ARG  35           HD2      ARG  35   7.569  -0.318 -17.381
  354    HD3  ARG  35           HD3      ARG  35   8.679  -1.666 -17.579
  355    HE   ARG  35           HE       ARG  35   6.890  -3.119 -18.220
  356   HH11  ARG  35          HH11      ARG  35   5.860   0.236 -18.130
  357   HH12  ARG  35          HH12      ARG  35   4.517  -0.066 -19.198
  358   HH21  ARG  35          HH21      ARG  35   5.144  -3.427 -19.535
  359   HH22  ARG  35          HH22      ARG  35   4.131  -2.082 -19.969
  360    HA   PRO  36           HA       PRO  36   3.121  -0.051 -11.110
  361    HB2  PRO  36           HB2      PRO  36   4.275   1.367  -9.045
  362    HB3  PRO  36           HB3      PRO  36   3.965  -0.400  -9.017
  363    HG2  PRO  36           HG2      PRO  36   6.541   1.048  -9.604
  364    HG3  PRO  36           HG3      PRO  36   6.253  -0.426  -8.613
  365    HD2  PRO  36           HD2      PRO  36   7.168  -0.493 -11.206
  366    HD3  PRO  36           HD3      PRO  36   6.166  -1.794 -10.501
  367    H    LYS  37           H        LYS  37   2.069   1.921 -11.106
  368    HA   LYS  37           HA       LYS  37   2.905   3.771 -13.096
  369    HB2  LYS  37           HB2      LYS  37   0.855   4.983 -12.635
  370    HB3  LYS  37           HB3      LYS  37   0.587   3.246 -12.683
  371    HG2  LYS  37           HG2      LYS  37   0.561   3.301 -10.116
  372    HG3  LYS  37           HG3      LYS  37   0.561   5.070 -10.249
  373    HD2  LYS  37           HD2      LYS  37  -1.481   4.942 -11.695
  374    HD3  LYS  37           HD3      LYS  37  -1.469   3.179 -11.543
  375    HE2  LYS  37           HE2      LYS  37  -1.673   3.515  -9.015
  376    HE3  LYS  37           HE3      LYS  37  -1.939   5.232  -9.349
  377    HZ1  LYS  37           HZ1      LYS  37  -4.065   4.087  -9.188
  378    HZ2  LYS  37           HZ2      LYS  37  -3.653   2.994 -10.339
  379    HZ3  LYS  37           HZ3      LYS  37  -3.857   4.567 -10.740
  380    HA   PRO  38           HA       PRO  38   5.532   6.669 -11.320
  381    HB2  PRO  38           HB2      PRO  38   3.736   8.900 -12.296
  382    HB3  PRO  38           HB3      PRO  38   5.515   8.736 -12.444
  383    HG2  PRO  38           HG2      PRO  38   3.950   8.112 -14.546
  384    HG3  PRO  38           HG3      PRO  38   5.286   7.002 -14.090
  385    HD2  PRO  38           HD2      PRO  38   2.336   6.762 -13.442
  386    HD3  PRO  38           HD3      PRO  38   3.475   5.519 -14.040
  387    H    LEU  39           H        LEU  39   2.136   7.467 -10.558
  388    HA   LEU  39           HA       LEU  39   2.652   9.069  -8.260
  389    HB2  LEU  39           HB2      LEU  39   0.520   8.880  -9.659
  390    HB3  LEU  39           HB3      LEU  39   0.209   7.350  -8.841
  391    HG   LEU  39           HG       LEU  39   0.225   8.633  -6.639
  392   HD11  LEU  39          HD11      LEU  39  -0.175  11.092  -6.793
  393   HD12  LEU  39          HD12      LEU  39   0.205  11.032  -8.526
  394   HD13  LEU  39          HD13      LEU  39   1.453  10.653  -7.318
  395   HD21  LEU  39          HD21      LEU  39  -1.872   8.003  -7.776
  396   HD22  LEU  39          HD22      LEU  39  -1.812   9.504  -8.727
  397   HD23  LEU  39          HD23      LEU  39  -2.019   9.567  -6.961
  398    H    LEU  40           H        LEU  40   2.302   5.537  -8.613
  399    HA   LEU  40           HA       LEU  40   2.472   4.972  -5.760
  400    HB2  LEU  40           HB2      LEU  40   1.341   3.402  -7.263
  401    HB3  LEU  40           HB3      LEU  40   2.772   3.249  -8.258
  402    HG   LEU  40           HG       LEU  40   3.992   2.131  -6.480
  403   HD11  LEU  40          HD11      LEU  40   2.797   1.427  -4.384
  404   HD12  LEU  40          HD12      LEU  40   1.457   2.510  -4.832
  405   HD13  LEU  40          HD13      LEU  40   3.062   3.171  -4.471
  406   HD21  LEU  40          HD21      LEU  40   2.958   0.074  -6.643
  407   HD22  LEU  40          HD22      LEU  40   2.204   0.928  -7.996
  408   HD23  LEU  40          HD23      LEU  40   1.328   0.734  -6.470
  409    H    LEU  41           H        LEU  41   4.710   4.873  -8.557
  410    HA   LEU  41           HA       LEU  41   7.031   4.018  -7.228
  411    HB2  LEU  41           HB2      LEU  41   6.919   4.181  -9.621
  412    HB3  LEU  41           HB3      LEU  41   6.623   5.916  -9.552
  413    HG   LEU  41           HG       LEU  41   8.871   6.356  -8.754
  414   HD11  LEU  41          HD11      LEU  41  10.574   4.519  -8.722
  415   HD12  LEU  41          HD12      LEU  41   9.279   3.355  -8.998
  416   HD13  LEU  41          HD13      LEU  41   9.357   4.272  -7.469
  417   HD21  LEU  41          HD21      LEU  41  10.101   5.715 -10.784
  418   HD22  LEU  41          HD22      LEU  41   8.459   6.254 -11.175
  419   HD23  LEU  41          HD23      LEU  41   8.846   4.520 -11.179
  420    H    LYS  42           H        LYS  42   5.839   7.406  -7.476
  421    HA   LYS  42           HA       LYS  42   7.885   8.598  -5.888
  422    HB2  LYS  42           HB2      LYS  42   6.283   9.832  -7.296
  423    HB3  LYS  42           HB3      LYS  42   4.945   9.345  -6.250
  424    HG2  LYS  42           HG2      LYS  42   5.886  10.649  -4.377
  425    HG3  LYS  42           HG3      LYS  42   7.324  11.019  -5.339
  426    HD2  LYS  42           HD2      LYS  42   5.897  12.946  -5.342
  427    HD3  LYS  42           HD3      LYS  42   5.888  12.251  -6.971
  428    HE2  LYS  42           HE2      LYS  42   3.704  11.165  -6.496
  429    HE3  LYS  42           HE3      LYS  42   3.736  11.801  -4.846
  430    HZ1  LYS  42           HZ1      LYS  42   3.685  14.052  -5.784
  431    HZ2  LYS  42           HZ2      LYS  42   2.392  13.209  -6.307
  432    HZ3  LYS  42           HZ3      LYS  42   3.655  13.468  -7.309
  433    H    LEU  43           H        LEU  43   4.849   7.007  -4.858
  434    HA   LEU  43           HA       LEU  43   5.099   7.623  -2.049
  435    HB2  LEU  43           HB2      LEU  43   2.992   7.070  -3.077
  436    HB3  LEU  43           HB3      LEU  43   3.532   5.468  -3.530
  437    HG   LEU  43           HG       LEU  43   3.596   6.234  -0.616
  438   HD11  LEU  43          HD11      LEU  43   1.264   5.474  -0.377
  439   HD12  LEU  43          HD12      LEU  43   1.109   5.371  -2.148
  440   HD13  LEU  43          HD13      LEU  43   1.377   6.939  -1.346
  441   HD21  LEU  43          HD21      LEU  43   4.461   3.974  -1.284
  442   HD22  LEU  43          HD22      LEU  43   2.896   3.618  -2.039
  443   HD23  LEU  43          HD23      LEU  43   3.020   3.867  -0.284
  444    H    LEU  44           H        LEU  44   6.212   4.850  -4.041
  445    HA   LEU  44           HA       LEU  44   7.382   3.371  -1.851
  446    HB2  LEU  44           HB2      LEU  44   8.093   3.353  -4.811
  447    HB3  LEU  44           HB3      LEU  44   8.538   2.121  -3.639
  448    HG   LEU  44           HG       LEU  44   5.650   2.722  -4.369
  449   HD11  LEU  44          HD11      LEU  44   6.880   1.919  -6.349
  450   HD12  LEU  44          HD12      LEU  44   5.779   0.674  -5.745
  451   HD13  LEU  44          HD13      LEU  44   7.520   0.556  -5.411
  452   HD21  LEU  44          HD21      LEU  44   6.046   1.562  -2.167
  453   HD22  LEU  44          HD22      LEU  44   6.832   0.257  -3.099
  454   HD23  LEU  44          HD23      LEU  44   5.121   0.634  -3.348
  455    H    LYS  45           H        LYS  45   8.783   5.764  -4.144
  456    HA   LYS  45           HA       LYS  45  11.409   5.843  -2.954
  457    HB2  LYS  45           HB2      LYS  45   9.818   7.610  -4.792
  458    HB3  LYS  45           HB3      LYS  45  11.328   8.222  -4.118
  459    HG2  LYS  45           HG2      LYS  45  12.655   6.670  -5.180
  460    HG3  LYS  45           HG3      LYS  45  11.340   5.486  -5.389
  461    HD2  LYS  45           HD2      LYS  45  10.241   6.761  -6.993
  462    HD3  LYS  45           HD3      LYS  45  11.234   8.210  -6.734
  463    HE2  LYS  45           HE2      LYS  45  12.279   5.571  -7.780
  464    HE3  LYS  45           HE3      LYS  45  11.654   6.867  -8.817
  465    HZ1  LYS  45           HZ1      LYS  45  14.008   7.167  -6.995
  466    HZ2  LYS  45           HZ2      LYS  45  13.409   8.323  -7.984
  467    HZ3  LYS  45           HZ3      LYS  45  14.088   6.981  -8.612
  468    H    SER  46           H        SER  46   8.452   7.354  -1.844
  469    HA   SER  46           HA       SER  46   9.685   9.240  -0.049
  470    HB2  SER  46           HB2      SER  46   7.021   7.802   0.203
  471    HB3  SER  46           HB3      SER  46   7.553   9.173   1.182
  472    HG   SER  46           HG       SER  46   7.314   9.178  -1.662
  473    H    VAL  47           H        VAL  47   9.485   5.775   0.097
  474    HA   VAL  47           HA       VAL  47  10.869   5.831   2.743
  475    HB   VAL  47           HB       VAL  47  10.179   3.601   3.212
  476   HG11  VAL  47          HG11      VAL  47   7.838   3.941   3.643
  477   HG12  VAL  47          HG12      VAL  47   8.691   5.473   3.889
  478   HG13  VAL  47          HG13      VAL  47   7.732   5.216   2.414
  479   HG21  VAL  47          HG21      VAL  47   8.657   2.311   1.898
  480   HG22  VAL  47          HG22      VAL  47   8.433   3.619   0.722
  481   HG23  VAL  47          HG23      VAL  47   9.987   2.769   0.826
  482    H    GLY  48           H        GLY  48  11.864   6.132  -0.141
  483    HA2  GLY  48           HA2      GLY  48  13.977   5.909  -0.962
  484    HA3  GLY  48           HA3      GLY  48  14.408   4.942   0.446
  485    H    ALA  49           H        ALA  49  11.846   3.986  -1.909
  486    HA   ALA  49           HA       ALA  49  12.993   1.383  -2.190
  487    HB1  ALA  49           HB1      ALA  49  10.592   1.989  -2.225
  488    HB2  ALA  49           HB2      ALA  49  10.837   2.821  -3.789
  489    HB3  ALA  49           HB3      ALA  49  11.057   1.061  -3.641
  490    H    GLN  50           H        GLN  50  13.004   4.191  -4.292
  491    HA   GLN  50           HA       GLN  50  14.128   4.918  -6.036
  492    HB2  GLN  50           HB2      GLN  50  16.316   3.273  -4.755
  493    HB3  GLN  50           HB3      GLN  50  16.607   4.482  -5.994
  494    HG2  GLN  50           HG2      GLN  50  15.343   5.085  -3.288
  495    HG3  GLN  50           HG3      GLN  50  17.039   5.281  -3.687
  496   HE21  GLN  50          HE21      GLN  50  16.422   7.554  -2.862
  497   HE22  GLN  50          HE22      GLN  50  15.860   8.669  -4.100
  498    H    LYS  51           H        LYS  51  13.882   1.461  -6.342
  499    HA   LYS  51           HA       LYS  51  15.127   1.278  -8.962
  500    HB2  LYS  51           HB2      LYS  51  12.882  -0.484  -7.920
  501    HB3  LYS  51           HB3      LYS  51  14.034  -0.841  -9.195
  502    HG2  LYS  51           HG2      LYS  51  15.874  -0.763  -7.447
  503    HG3  LYS  51           HG3      LYS  51  14.597  -0.669  -6.213
  504    HD2  LYS  51           HD2      LYS  51  13.632  -2.821  -7.089
  505    HD3  LYS  51           HD3      LYS  51  14.922  -2.877  -8.295
  506    HE2  LYS  51           HE2      LYS  51  15.709  -4.315  -6.643
  507    HE3  LYS  51           HE3      LYS  51  16.585  -2.813  -6.340
  508    HZ1  LYS  51           HZ1      LYS  51  14.821  -2.355  -4.604
  509    HZ2  LYS  51           HZ2      LYS  51  15.754  -3.656  -4.273
  510    HZ3  LYS  51           HZ3      LYS  51  14.254  -3.891  -4.845
  511    H    ASP  52           H        ASP  52  14.063   0.915 -11.004
  512    HA   ASP  52           HA       ASP  52  11.562   2.432 -11.394
  513    HB2  ASP  52           HB2      ASP  52  12.078   2.214 -13.840
  514    HB3  ASP  52           HB3      ASP  52  13.083   3.255 -12.852
  515    H    THR  53           H        THR  53  12.304  -0.722 -10.785
  516    HA   THR  53           HA       THR  53   9.673  -1.744 -11.733
  517    HB   THR  53           HB       THR  53  11.081  -3.912 -12.274
  518    HG1  THR  53           HG1      THR  53  13.075  -3.378 -13.295
  519   HG21  THR  53          HG21      THR  53  11.254  -3.358 -14.635
  520   HG22  THR  53          HG22      THR  53  11.072  -1.623 -14.268
  521   HG23  THR  53          HG23      THR  53   9.738  -2.758 -13.949
  522    H    TYR  54           H        TYR  54   8.984  -3.467 -10.406
  523    HA   TYR  54           HA       TYR  54  10.640  -4.264  -8.063
  524    HB2  TYR  54           HB2      TYR  54   7.924  -2.912  -7.891
  525    HB3  TYR  54           HB3      TYR  54   8.758  -3.658  -6.544
  526    HD1  TYR  54           HD1      TYR  54  10.852  -2.644  -5.603
  527    HD2  TYR  54           HD2      TYR  54   8.520  -0.727  -8.677
  528    HE1  TYR  54           HE1      TYR  54  11.919  -0.450  -5.057
  529    HE2  TYR  54           HE2      TYR  54   9.559   1.457  -8.105
  530    HH   TYR  54           HH       TYR  54  11.343   2.416  -7.044
  531    H    THR  55           H        THR  55   9.845  -6.090  -6.874
  532    HA   THR  55           HA       THR  55   7.904  -7.789  -8.294
  533    HB   THR  55           HB       THR  55   8.331  -9.543  -6.967
  534    HG1  THR  55           HG1      THR  55   9.252  -9.342  -4.884
  535   HG21  THR  55          HG21      THR  55  10.460  -8.872  -8.100
  536   HG22  THR  55          HG22      THR  55  10.703  -9.803  -6.614
  537   HG23  THR  55          HG23      THR  55  10.958  -8.046  -6.605
  538    H    MET  56           H        MET  56   5.836  -8.595  -7.345
  539    HA   MET  56           HA       MET  56   4.261  -6.537  -6.164
  540    HB2  MET  56           HB2      MET  56   3.915  -9.524  -6.462
  541    HB3  MET  56           HB3      MET  56   2.777  -8.606  -5.468
  542    HG2  MET  56           HG2      MET  56   3.454  -7.852  -8.329
  543    HG3  MET  56           HG3      MET  56   2.089  -8.879  -7.875
  544    HE1  MET  56           HE1      MET  56   0.715  -7.080  -9.388
  545    HE2  MET  56           HE2      MET  56   0.587  -5.351  -8.976
  546    HE3  MET  56           HE3      MET  56   2.138  -6.023  -9.531
  547    H    LYS  57           H        LYS  57   6.211  -9.052  -4.556
  548    HA   LYS  57           HA       LYS  57   5.320  -8.360  -1.871
  549    HB2  LYS  57           HB2      LYS  57   6.212 -10.531  -2.191
  550    HB3  LYS  57           HB3      LYS  57   7.709  -9.918  -2.910
  551    HG2  LYS  57           HG2      LYS  57   8.522  -9.090  -0.843
  552    HG3  LYS  57           HG3      LYS  57   6.932  -9.176  -0.065
  553    HD2  LYS  57           HD2      LYS  57   6.977 -11.555   0.031
  554    HD3  LYS  57           HD3      LYS  57   8.418 -11.648  -1.014
  555    HE2  LYS  57           HE2      LYS  57   9.756 -10.484   0.708
  556    HE3  LYS  57           HE3      LYS  57   8.332 -10.342   1.743
  557    HZ1  LYS  57           HZ1      LYS  57   9.572 -12.910   0.901
  558    HZ2  LYS  57           HZ2      LYS  57   8.257 -12.777   1.866
  559    HZ3  LYS  57           HZ3      LYS  57   9.709 -12.239   2.382
  560    H    GLU  58           H        GLU  58   8.047  -7.185  -3.913
  561    HA   GLU  58           HA       GLU  58   9.133  -5.430  -1.897
  562    HB2  GLU  58           HB2      GLU  58   9.182  -5.399  -4.921
  563    HB3  GLU  58           HB3      GLU  58   9.853  -4.074  -3.971
  564    HG2  GLU  58           HG2      GLU  58  11.348  -5.638  -2.786
  565    HG3  GLU  58           HG3      GLU  58  10.754  -6.965  -3.796
  566    H    VAL  59           H        VAL  59   6.628  -4.786  -4.423
  567    HA   VAL  59           HA       VAL  59   6.176  -2.067  -3.668
  568    HB   VAL  59           HB       VAL  59   4.167  -4.011  -4.874
  569   HG11  VAL  59          HG11      VAL  59   4.187  -0.965  -4.885
  570   HG12  VAL  59          HG12      VAL  59   2.984  -2.034  -5.650
  571   HG13  VAL  59          HG13      VAL  59   3.120  -1.961  -3.892
  572   HG21  VAL  59          HG21      VAL  59   6.009  -1.961  -6.207
  573   HG22  VAL  59          HG22      VAL  59   6.171  -3.718  -6.327
  574   HG23  VAL  59          HG23      VAL  59   4.762  -2.926  -7.028
  575    H    LEU  60           H        LEU  60   4.406  -5.040  -2.579
  576    HA   LEU  60           HA       LEU  60   2.807  -3.734  -0.619
  577    HB2  LEU  60           HB2      LEU  60   3.909  -6.558  -0.839
  578    HB3  LEU  60           HB3      LEU  60   2.853  -6.074   0.481
  579    HG   LEU  60           HG       LEU  60   2.038  -5.821  -2.448
  580   HD11  LEU  60          HD11      LEU  60   1.414  -8.013  -0.428
  581   HD12  LEU  60          HD12      LEU  60   2.454  -8.182  -1.860
  582   HD13  LEU  60          HD13      LEU  60   0.723  -7.871  -2.060
  583   HD21  LEU  60          HD21      LEU  60   0.459  -5.740   0.166
  584   HD22  LEU  60          HD22      LEU  60  -0.254  -5.749  -1.461
  585   HD23  LEU  60          HD23      LEU  60   0.726  -4.378  -0.942
  586    H    PHE  61           H        PHE  61   6.110  -5.154  -0.222
  587    HA   PHE  61           HA       PHE  61   6.348  -4.610   2.528
  588    HB2  PHE  61           HB2      PHE  61   7.863  -6.116   1.580
  589    HB3  PHE  61           HB3      PHE  61   8.354  -4.983   0.341
  590    HD1  PHE  61           HD2      PHE  61   9.972  -3.184   0.745
  591    HD2  PHE  61           HD1      PHE  61   8.881  -6.001   3.826
  592    HE1  PHE  61           HE2      PHE  61  11.956  -2.510   2.071
  593    HE2  PHE  61           HE1      PHE  61  10.867  -5.320   5.149
  594    HZ   PHE  61           HZ       PHE  61  12.413  -3.581   4.268
  595    H    TYR  62           H        TYR  62   7.468  -2.519  -0.119
  596    HA   TYR  62           HA       TYR  62   8.200  -0.365   1.631
  597    HB2  TYR  62           HB2      TYR  62   7.704  -0.519  -1.322
  598    HB3  TYR  62           HB3      TYR  62   8.176   0.980  -0.533
  599    HD1  TYR  62           HD2      TYR  62  10.341   0.491   1.223
  600    HD2  TYR  62           HD1      TYR  62   9.436  -1.510  -2.494
  601    HE1  TYR  62           HE2      TYR  62  12.743  -0.046   0.926
  602    HE2  TYR  62           HE1      TYR  62  11.842  -2.081  -2.767
  603    HH   TYR  62           HH       TYR  62  14.323  -1.085  -0.382
  604    H    LEU  63           H        LEU  63   5.116  -0.949  -0.113
  605    HA   LEU  63           HA       LEU  63   3.862   1.482   0.689
  606    HB2  LEU  63           HB2      LEU  63   2.999   0.135  -1.112
  607    HB3  LEU  63           HB3      LEU  63   2.836  -1.275  -0.059
  608    HG   LEU  63           HG       LEU  63   1.030  -0.235   1.187
  609   HD11  LEU  63          HD11      LEU  63   1.265   2.107  -0.744
  610   HD12  LEU  63          HD12      LEU  63   1.717   2.162   0.975
  611   HD13  LEU  63          HD13      LEU  63   0.044   1.868   0.532
  612   HD21  LEU  63          HD21      LEU  63   0.510  -1.493  -0.895
  613   HD22  LEU  63          HD22      LEU  63   0.597   0.018  -1.820
  614   HD23  LEU  63          HD23      LEU  63  -0.657  -0.203  -0.587
  615    H    GLY  64           H        GLY  64   4.059  -1.729   2.307
  616    HA2  GLY  64           HA2      GLY  64   2.497  -1.099   4.608
  617    HA3  GLY  64           HA3      GLY  64   3.790  -2.299   4.519
  618    H    GLN  65           H        GLN  65   6.052  -0.702   4.025
  619    HA   GLN  65           HA       GLN  65   6.630   0.581   6.522
  620    HB2  GLN  65           HB2      GLN  65   7.972   0.759   3.797
  621    HB3  GLN  65           HB3      GLN  65   8.570   1.579   5.241
  622    HG2  GLN  65           HG2      GLN  65   8.669  -0.632   6.416
  623    HG3  GLN  65           HG3      GLN  65   8.281  -1.436   4.899
  624   HE21  GLN  65          HE21      GLN  65  10.747  -1.733   6.493
  625   HE22  GLN  65          HE22      GLN  65  12.049  -1.185   5.446
  626    H    TYR  66           H        TYR  66   5.338   1.967   3.467
  627    HA   TYR  66           HA       TYR  66   5.598   4.705   4.320
  628    HB2  TYR  66           HB2      TYR  66   5.410   4.056   1.968
  629    HB3  TYR  66           HB3      TYR  66   3.787   3.451   2.237
  630    HD1  TYR  66           HD2      TYR  66   5.879   6.452   1.926
  631    HD2  TYR  66           HD1      TYR  66   1.860   4.996   2.518
  632    HE1  TYR  66           HE2      TYR  66   4.988   8.702   1.364
  633    HE2  TYR  66           HE1      TYR  66   0.972   7.266   1.954
  634    HH   TYR  66           HH       TYR  66   3.136   9.939   0.942
  635    H    ILE  67           H        ILE  67   2.808   2.445   4.349
  636    HA   ILE  67           HA       ILE  67   0.961   4.129   5.714
  637    HB   ILE  67           HB       ILE  67   1.245   1.102   5.659
  638   HG12  ILE  67          HG12      ILE  67  -0.807   2.772   4.168
  639   HG13  ILE  67          HG13      ILE  67   0.786   2.470   3.473
  640   HG21  ILE  67          HG21      ILE  67  -0.119   1.611   7.596
  641   HG22  ILE  67          HG22      ILE  67  -1.034   2.838   6.700
  642   HG23  ILE  67          HG23      ILE  67  -1.227   1.126   6.320
  643   HD11  ILE  67          HD11      ILE  67   0.428   0.031   3.592
  644   HD12  ILE  67          HD12      ILE  67  -1.209   0.300   4.239
  645   HD13  ILE  67          HD13      ILE  67  -0.800   0.848   2.608
  646    H    MET  68           H        MET  68   3.394   1.857   7.008
  647    HA   MET  68           HA       MET  68   2.816   2.143   9.762
  648    HB2  MET  68           HB2      MET  68   4.188   0.357   8.830
  649    HB3  MET  68           HB3      MET  68   5.419   1.525   8.330
  650    HG2  MET  68           HG2      MET  68   5.745   2.124  10.757
  651    HG3  MET  68           HG3      MET  68   4.656   0.802  11.178
  652    HE1  MET  68           HE1      MET  68   5.232  -1.751  10.846
  653    HE2  MET  68           HE2      MET  68   5.504  -1.538   9.099
  654    HE3  MET  68           HE3      MET  68   6.719  -2.365  10.093
  655    H    THR  69           H        THR  69   5.311   3.930   7.821
  656    HA   THR  69           HA       THR  69   5.971   5.610  10.053
  657    HB   THR  69           HB       THR  69   7.492   4.977   8.156
  658    HG1  THR  69           HG1      THR  69   8.631   6.872   8.490
  659   HG21  THR  69          HG21      THR  69   6.085   5.829   6.264
  660   HG22  THR  69          HG22      THR  69   7.710   6.519   6.297
  661   HG23  THR  69          HG23      THR  69   6.329   7.488   6.854
  662    H    LYS  70           H        LYS  70   3.806   6.174   7.319
  663    HA   LYS  70           HA       LYS  70   3.055   8.878   8.092
  664    HB2  LYS  70           HB2      LYS  70   1.762   6.782   6.312
  665    HB3  LYS  70           HB3      LYS  70   1.171   8.424   6.465
  666    HG2  LYS  70           HG2      LYS  70   4.075   8.032   5.698
  667    HG3  LYS  70           HG3      LYS  70   2.844   7.648   4.516
  668    HD2  LYS  70           HD2      LYS  70   3.058  10.353   5.899
  669    HD3  LYS  70           HD3      LYS  70   3.755   9.949   4.317
  670    HE2  LYS  70           HE2      LYS  70   1.431   9.232   3.574
  671    HE3  LYS  70           HE3      LYS  70   0.797   9.926   5.066
  672    HZ1  LYS  70           HZ1      LYS  70   1.646  12.087   4.347
  673    HZ2  LYS  70           HZ2      LYS  70   0.680  11.439   3.180
  674    HZ3  LYS  70           HZ3      LYS  70   2.296  11.420   2.990
  675    H    ARG  71           H        ARG  71   2.216   5.817   9.356
  676    HA   ARG  71           HA       ARG  71   0.777   5.056  10.927
  677    HB2  ARG  71           HB2      ARG  71   0.933   7.941  11.861
  678    HB3  ARG  71           HB3      ARG  71   0.278   6.607  12.820
  679    HG2  ARG  71           HG2      ARG  71   2.387   5.477  12.915
  680    HG3  ARG  71           HG3      ARG  71   3.112   6.546  11.712
  681    HD2  ARG  71           HD2      ARG  71   3.019   8.450  13.204
  682    HD3  ARG  71           HD3      ARG  71   2.104   7.521  14.393
  683    HE   ARG  71           HE       ARG  71   4.032   6.558  15.169
  684   HH11  ARG  71          HH11      ARG  71   4.926   7.827  11.984
  685   HH12  ARG  71          HH12      ARG  71   6.616   7.660  12.337
  686   HH21  ARG  71          HH21      ARG  71   6.200   6.326  15.465
  687   HH22  ARG  71          HH22      ARG  71   7.310   6.792  14.211
  688    H    LEU  72           H        LEU  72  -0.434   5.319   8.586
  689    HA   LEU  72           HA       LEU  72  -2.936   6.817   8.743
  690    HB2  LEU  72           HB2      LEU  72  -2.124   4.705   6.724
  691    HB3  LEU  72           HB3      LEU  72  -3.412   5.880   6.542
  692    HG   LEU  72           HG       LEU  72  -0.449   6.550   6.736
  693   HD11  LEU  72          HD11      LEU  72  -0.593   7.045   4.352
  694   HD12  LEU  72          HD12      LEU  72  -2.301   6.559   4.330
  695   HD13  LEU  72          HD13      LEU  72  -1.028   5.357   4.660
  696   HD21  LEU  72          HD21      LEU  72  -1.806   8.407   7.544
  697   HD22  LEU  72          HD22      LEU  72  -2.887   8.278   6.135
  698   HD23  LEU  72          HD23      LEU  72  -1.201   8.800   5.927
  699    H    TYR  73           H        TYR  73  -2.101   3.833  10.077
  700    HA   TYR  73           HA       TYR  73  -4.609   2.472   9.787
  701    HB2  TYR  73           HB2      TYR  73  -3.819   1.121  11.755
  702    HB3  TYR  73           HB3      TYR  73  -2.891   1.063  10.271
  703    HD1  TYR  73           HD1      TYR  73  -2.988   2.681  13.643
  704    HD2  TYR  73           HD2      TYR  73  -0.552   1.581  10.251
  705    HE1  TYR  73           HE1      TYR  73  -0.944   3.308  14.911
  706    HE2  TYR  73           HE2      TYR  73   1.494   2.209  11.539
  707    HH   TYR  73           HH       TYR  73   1.340   3.414  14.903
  708    H    ASP  74           H        ASP  74  -6.331   2.118  11.215
  709    HA   ASP  74           HA       ASP  74  -7.153   4.398  12.772
  710    HB2  ASP  74           HB2      ASP  74  -8.871   3.319  11.791
  711    HB3  ASP  74           HB3      ASP  74  -8.333   1.725  12.250
  712    H    GLU  75           H        GLU  75  -7.040   4.895  14.901
  713    HA   GLU  75           HA       GLU  75  -5.120   3.557  16.588
  714    HB2  GLU  75           HB2      GLU  75  -5.808   5.138  18.286
  715    HB3  GLU  75           HB3      GLU  75  -5.533   5.956  16.743
  716    HG2  GLU  75           HG2      GLU  75  -7.933   6.166  16.362
  717    HG3  GLU  75           HG3      GLU  75  -8.295   5.162  17.765
  718    H    LYS  76           H        LYS  76  -8.612   3.165  16.203
  719    HA   LYS  76           HA       LYS  76  -8.907   1.554  18.669
  720    HB2  LYS  76           HB2      LYS  76 -10.887   1.735  16.375
  721    HB3  LYS  76           HB3      LYS  76 -11.186   1.243  18.025
  722    HG2  LYS  76           HG2      LYS  76 -10.548   4.063  17.059
  723    HG3  LYS  76           HG3      LYS  76 -12.110   3.419  17.550
  724    HD2  LYS  76           HD2      LYS  76 -11.033   2.966  19.854
  725    HD3  LYS  76           HD3      LYS  76  -9.688   3.974  19.318
  726    HE2  LYS  76           HE2      LYS  76 -12.624   4.779  19.562
  727    HE3  LYS  76           HE3      LYS  76 -11.327   5.244  20.662
  728    HZ1  LYS  76           HZ1      LYS  76 -10.312   6.538  18.859
  729    HZ2  LYS  76           HZ2      LYS  76 -11.854   7.006  19.073
  730    HZ3  LYS  76           HZ3      LYS  76 -11.474   6.055  17.806
  731    H    GLN  77           H        GLN  77  -8.980   0.901  15.140
  732    HA   GLN  77           HA       GLN  77  -8.059  -1.905  15.693
  733    HB2  GLN  77           HB2      GLN  77 -10.102  -0.900  13.675
  734    HB3  GLN  77           HB3      GLN  77  -9.405  -2.508  13.642
  735    HG2  GLN  77           HG2      GLN  77 -11.078  -1.346  15.903
  736    HG3  GLN  77           HG3      GLN  77 -11.628  -2.482  14.680
  737   HE21  GLN  77          HE21      GLN  77 -11.884  -3.075  17.438
  738   HE22  GLN  77          HE22      GLN  77 -10.800  -4.415  17.786
  739    H    GLN  78           H        GLN  78  -5.911  -1.808  15.214
  740    HA   GLN  78           HA       GLN  78  -4.871  -0.174  13.111
  741    HB2  GLN  78           HB2      GLN  78  -3.599  -2.464  14.661
  742    HB3  GLN  78           HB3      GLN  78  -2.751  -1.431  13.504
  743    HG2  GLN  78           HG2      GLN  78  -3.483   0.583  14.870
  744    HG3  GLN  78           HG3      GLN  78  -4.042  -0.545  16.111
  745   HE21  GLN  78          HE21      GLN  78  -1.103   0.437  14.237
  746   HE22  GLN  78          HE22      GLN  78   0.015  -0.115  15.469
  747    H    HIS  79           H        HIS  79  -6.390  -3.222  12.880
  748    HA   HIS  79           HA       HIS  79  -5.136  -4.041  10.383
  749    HB2  HIS  79           HB2      HIS  79  -6.639  -5.841  10.407
  750    HB3  HIS  79           HB3      HIS  79  -6.155  -5.572  12.079
  751    HD1  HIS  79           HD1      HIS  79  -8.140  -5.022  13.815
  752    HD2  HIS  79           HD2      HIS  79  -9.206  -5.281   9.752
  753    HE1  HIS  79           HE1      HIS  79 -10.676  -5.102  13.748
  754    H    ILE  80           H        ILE  80  -7.178  -1.447  11.041
  755    HA   ILE  80           HA       ILE  80  -8.251  -1.418   8.253
  756    HB   ILE  80           HB       ILE  80  -9.282   0.165  10.622
  757   HG12  ILE  80          HG12      ILE  80 -10.358  -2.444   9.465
  758   HG13  ILE  80          HG13      ILE  80  -9.676  -2.210  11.076
  759   HG21  ILE  80          HG21      ILE  80 -10.517  -0.366   7.881
  760   HG22  ILE  80          HG22      ILE  80 -11.183   0.670   9.160
  761   HG23  ILE  80          HG23      ILE  80  -9.702   1.143   8.350
  762   HD11  ILE  80          HD11      ILE  80 -11.546  -0.625  11.607
  763   HD12  ILE  80          HD12      ILE  80 -12.312  -1.109  10.072
  764   HD13  ILE  80          HD13      ILE  80 -12.025  -2.313  11.337
  765    H    VAL  81           H        VAL  81  -7.645   0.191   6.915
  766    HA   VAL  81           HA       VAL  81  -5.742   2.249   7.930
  767    HB   VAL  81           HB       VAL  81  -5.817   1.308   5.072
  768   HG11  VAL  81          HG11      VAL  81  -3.705   2.745   6.734
  769   HG12  VAL  81          HG12      VAL  81  -3.532   2.250   5.036
  770   HG13  VAL  81          HG13      VAL  81  -4.720   3.480   5.467
  771   HG21  VAL  81          HG21      VAL  81  -5.251  -0.672   6.343
  772   HG22  VAL  81          HG22      VAL  81  -3.793  -0.039   5.584
  773   HG23  VAL  81          HG23      VAL  81  -4.070   0.237   7.321
  774    H    TYR  82           H        TYR  82  -6.107   4.332   7.635
  775    HA   TYR  82           HA       TYR  82  -8.466   5.185   6.069
  776    HB2  TYR  82           HB2      TYR  82  -7.421   6.220   8.665
  777    HB3  TYR  82           HB3      TYR  82  -8.408   7.215   7.605
  778    HD1  TYR  82           HD2      TYR  82  -8.393   3.980   9.469
  779    HD2  TYR  82           HD1      TYR  82 -10.764   6.959   7.437
  780    HE1  TYR  82           HE2      TYR  82 -10.475   2.909  10.319
  781    HE2  TYR  82           HE1      TYR  82 -12.843   5.881   8.283
  782    HH   TYR  82           HH       TYR  82 -13.735   4.183   9.540
  783    H    CYS  83           H        CYS  83  -7.182   5.061   4.177
  784    HA   CYS  83           HA       CYS  83  -5.031   6.913   3.721
  785    HB2  CYS  83           HB2      CYS  83  -5.325   6.068   1.327
  786    HB3  CYS  83           HB3      CYS  83  -4.933   4.890   2.582
  787    HG   CYS  83           HG       CYS  83  -7.850   5.507   1.110
  788    H    SER  84           H        SER  84  -8.265   7.680   3.924
  789    HA   SER  84           HA       SER  84  -8.991   9.300   1.876
  790    HB2  SER  84           HB2      SER  84 -10.367   8.884   3.868
  791    HB3  SER  84           HB3      SER  84  -9.314   9.930   4.833
  792    HG   SER  84           HG       SER  84 -11.250  10.955   4.021
  793    H    ASN  85           H        ASN  85  -8.494  11.115   0.934
  794    HA   ASN  85           HA       ASN  85  -7.488  12.984   0.255
  795    HB2  ASN  85           HB2      ASN  85  -7.881  13.622   3.189
  796    HB3  ASN  85           HB3      ASN  85  -7.247  14.801   2.051
  797   HD21  ASN  85          HD21      ASN  85 -10.122  12.700   2.636
  798   HD22  ASN  85          HD22      ASN  85 -11.198  13.787   1.766
  799    H    ASP  86           H        ASP  86  -5.537  10.861   1.794
  800    HA   ASP  86           HA       ASP  86  -3.047  12.449   1.628
  801    HB2  ASP  86           HB2      ASP  86  -3.425  10.758   3.423
  802    HB3  ASP  86           HB3      ASP  86  -3.559   9.499   2.189
  803    H    LEU  87           H        LEU  87  -1.204  11.396   0.351
  804    HA   LEU  87           HA       LEU  87  -1.642  11.089  -2.448
  805    HB2  LEU  87           HB2      LEU  87   0.516  11.638  -1.544
  806    HB3  LEU  87           HB3      LEU  87   0.550  10.168  -0.572
  807    HG   LEU  87           HG       LEU  87   0.749   8.773  -2.597
  808   HD11  LEU  87          HD11      LEU  87   0.811  11.421  -4.104
  809   HD12  LEU  87          HD12      LEU  87  -0.409  10.133  -4.270
  810   HD13  LEU  87          HD13      LEU  87   1.257   9.831  -4.773
  811   HD21  LEU  87          HD21      LEU  87   2.732  11.073  -2.463
  812   HD22  LEU  87          HD22      LEU  87   3.024   9.501  -3.246
  813   HD23  LEU  87          HD23      LEU  87   2.776   9.584  -1.494
  814    H    LEU  88           H        LEU  88  -1.408   8.592   0.141
  815    HA   LEU  88           HA       LEU  88  -1.667   6.344  -1.554
  816    HB2  LEU  88           HB2      LEU  88  -0.849   6.271   0.762
  817    HB3  LEU  88           HB3      LEU  88  -2.446   6.728   1.362
  818    HG   LEU  88           HG       LEU  88  -3.399   4.615   0.483
  819   HD11  LEU  88          HD11      LEU  88  -1.926   4.147  -1.415
  820   HD12  LEU  88          HD12      LEU  88  -1.809   2.825  -0.274
  821   HD13  LEU  88          HD13      LEU  88  -0.520   4.035  -0.335
  822   HD21  LEU  88          HD21      LEU  88  -2.563   4.711   2.764
  823   HD22  LEU  88          HD22      LEU  88  -0.941   4.231   2.211
  824   HD23  LEU  88          HD23      LEU  88  -2.315   3.103   2.070
  825    H    GLY  89           H        GLY  89  -4.208   8.401  -0.162
  826    HA2  GLY  89           HA2      GLY  89  -6.494   6.805  -0.758
  827    HA3  GLY  89           HA3      GLY  89  -6.449   8.571  -0.636
  828    H    ASP  90           H        ASP  90  -4.514   8.902  -2.863
  829    HA   ASP  90           HA       ASP  90  -6.349   8.662  -5.126
  830    HB2  ASP  90           HB2      ASP  90  -3.568   9.808  -4.879
  831    HB3  ASP  90           HB3      ASP  90  -4.395   9.617  -6.418
  832    H    LEU  91           H        LEU  91  -3.599   6.773  -3.998
  833    HA   LEU  91           HA       LEU  91  -3.500   5.099  -6.386
  834    HB2  LEU  91           HB2      LEU  91  -2.391   4.866  -3.558
  835    HB3  LEU  91           HB3      LEU  91  -2.295   3.552  -4.701
  836    HG   LEU  91           HG       LEU  91  -0.234   4.553  -4.730
  837   HD11  LEU  91          HD11      LEU  91   0.070   5.288  -7.038
  838   HD12  LEU  91          HD12      LEU  91  -1.630   5.668  -7.196
  839   HD13  LEU  91          HD13      LEU  91  -1.110   3.970  -6.971
  840   HD21  LEU  91          HD21      LEU  91   0.293   6.864  -5.133
  841   HD22  LEU  91          HD22      LEU  91  -0.746   6.708  -3.718
  842   HD23  LEU  91          HD23      LEU  91  -1.433   7.282  -5.255
  843    H    PHE  92           H        PHE  92  -4.810   4.497  -3.071
  844    HA   PHE  92           HA       PHE  92  -6.131   2.118  -4.003
  845    HB2  PHE  92           HB2      PHE  92  -6.112   3.496  -1.355
  846    HB3  PHE  92           HB3      PHE  92  -7.291   2.246  -1.694
  847    HD1  PHE  92           HD1      PHE  92  -6.249   0.088  -2.945
  848    HD2  PHE  92           HD2      PHE  92  -4.256   2.643  -0.142
  849    HE1  PHE  92           HE1      PHE  92  -4.654  -1.758  -2.422
  850    HE2  PHE  92           HE2      PHE  92  -2.701   0.785   0.444
  851    HZ   PHE  92           HZ       PHE  92  -2.889  -1.404  -0.715
  852    H    GLY  93           H        GLY  93  -7.305   5.377  -3.990
  853    HA2  GLY  93           HA2      GLY  93  -9.167   6.211  -5.039
  854    HA3  GLY  93           HA3      GLY  93  -9.579   4.588  -5.599
  855    H    VAL  94           H        VAL  94  -9.186   5.066  -2.162
  856    HA   VAL  94           HA       VAL  94 -12.099   5.316  -1.637
  857    HB   VAL  94           HB       VAL  94 -11.859   3.449   0.082
  858   HG11  VAL  94          HG11      VAL  94 -12.369   1.668  -1.478
  859   HG12  VAL  94          HG12      VAL  94 -13.138   3.180  -1.992
  860   HG13  VAL  94          HG13      VAL  94 -11.676   2.596  -2.823
  861   HG21  VAL  94          HG21      VAL  94  -9.500   2.544  -1.595
  862   HG22  VAL  94          HG22      VAL  94  -9.361   3.225   0.041
  863   HG23  VAL  94          HG23      VAL  94 -10.227   1.703  -0.220
  864    HA   PRO  95           HA       PRO  95 -10.513   7.657   1.837
  865    HB2  PRO  95           HB2      PRO  95 -12.579   7.532   3.627
  866    HB3  PRO  95           HB3      PRO  95 -12.675   8.452   2.095
  867    HG2  PRO  95           HG2      PRO  95 -13.687   5.634   2.632
  868    HG3  PRO  95           HG3      PRO  95 -14.573   7.003   1.885
  869    HD2  PRO  95           HD2      PRO  95 -13.363   5.101   0.385
  870    HD3  PRO  95           HD3      PRO  95 -13.353   6.812  -0.126
  871    H    SER  96           H        SER  96 -11.653   4.332   2.356
  872    HA   SER  96           HA       SER  96  -9.414   3.721   4.073
  873    HB2  SER  96           HB2      SER  96 -10.744   3.008   6.034
  874    HB3  SER  96           HB3      SER  96 -10.904   4.742   5.738
  875    HG   SER  96           HG       SER  96 -12.928   3.749   6.165
  876    H    PHE  97           H        PHE  97  -9.328   1.436   4.705
  877    HA   PHE  97           HA       PHE  97 -11.281  -0.455   3.620
  878    HB2  PHE  97           HB2      PHE  97  -9.782  -1.640   2.160
  879    HB3  PHE  97           HB3      PHE  97  -9.814   0.025   1.626
  880    HD1  PHE  97           HD1      PHE  97  -7.785   1.484   1.898
  881    HD2  PHE  97           HD2      PHE  97  -7.811  -2.636   3.145
  882    HE1  PHE  97           HE1      PHE  97  -5.305   1.508   2.054
  883    HE2  PHE  97           HE2      PHE  97  -5.333  -2.603   3.326
  884    HZ   PHE  97           HZ       PHE  97  -4.080  -0.560   2.745
  885    H    SER  98           H        SER  98 -10.760  -2.684   4.352
  886    HA   SER  98           HA       SER  98  -9.098  -2.754   6.842
  887    HB2  SER  98           HB2      SER  98 -11.321  -3.478   7.255
  888    HB3  SER  98           HB3      SER  98 -11.310  -4.542   5.841
  889    HG   SER  98           HG       SER  98 -10.917  -5.622   7.854
  890    H    VAL  99           H        VAL  99  -7.230  -3.877   6.900
  891    HA   VAL  99           HA       VAL  99  -5.949  -4.797   4.514
  892    HB   VAL  99           HB       VAL  99  -5.231  -5.384   7.360
  893   HG11  VAL  99          HG11      VAL  99  -3.920  -6.813   5.905
  894   HG12  VAL  99          HG12      VAL  99  -3.541  -5.435   4.837
  895   HG13  VAL  99          HG13      VAL  99  -2.896  -5.506   6.491
  896   HG21  VAL  99          HG21      VAL  99  -4.310  -3.094   5.571
  897   HG22  VAL  99          HG22      VAL  99  -5.370  -2.932   6.983
  898   HG23  VAL  99          HG23      VAL  99  -3.704  -3.444   7.204
  899    H    LYS 100           H        LYS 100  -8.079  -6.432   6.712
  900    HA   LYS 100           HA       LYS 100  -7.480  -9.194   6.076
  901    HB2  LYS 100           HB2      LYS 100 -10.056  -7.841   6.984
  902    HB3  LYS 100           HB3      LYS 100  -9.784  -9.581   6.959
  903    HG2  LYS 100           HG2      LYS 100  -8.062  -9.434   8.654
  904    HG3  LYS 100           HG3      LYS 100  -8.109  -7.659   8.637
  905    HD2  LYS 100           HD2      LYS 100 -10.428  -7.660   9.419
  906    HD3  LYS 100           HD3      LYS 100 -10.471  -9.434   9.396
  907    HE2  LYS 100           HE2      LYS 100  -8.813  -9.584  11.147
  908    HE3  LYS 100           HE3      LYS 100  -8.465  -7.855  11.056
  909    HZ1  LYS 100           HZ1      LYS 100 -11.076  -8.984  11.906
  910    HZ2  LYS 100           HZ2      LYS 100 -10.675  -7.390  11.869
  911    HZ3  LYS 100           HZ3      LYS 100  -9.932  -8.403  12.919
  912    H    GLU 101           H        GLU 101  -9.088  -6.711   4.253
  913    HA   GLU 101           HA       GLU 101 -10.698  -8.490   2.586
  914    HB2  GLU 101           HB2      GLU 101 -10.069  -5.528   2.320
  915    HB3  GLU 101           HB3      GLU 101 -11.258  -6.413   1.370
  916    HG2  GLU 101           HG2      GLU 101 -12.639  -6.879   3.259
  917    HG3  GLU 101           HG3      GLU 101 -11.439  -6.289   4.400
  918    H    HIS 102           H        HIS 102  -8.260  -9.575   2.443
  919    HA   HIS 102           HA       HIS 102  -6.281  -8.541   0.850
  920    HB2  HIS 102           HB2      HIS 102  -7.020 -11.482   0.850
  921    HB3  HIS 102           HB3      HIS 102  -5.439 -10.780   0.553
  922    HD1  HIS 102           HD1      HIS 102  -5.288  -8.946   3.285
  923    HD2  HIS 102           HD2      HIS 102  -6.293 -13.004   2.817
  924    HE1  HIS 102           HE1      HIS 102  -4.444 -10.137   5.359
  925    H    ARG 103           H        ARG 103  -9.018 -10.514  -0.414
  926    HA   ARG 103           HA       ARG 103  -8.157 -10.633  -3.128
  927    HB2  ARG 103           HB2      ARG 103  -9.897 -12.070  -2.158
  928    HB3  ARG 103           HB3      ARG 103 -10.974 -10.683  -1.966
  929    HG2  ARG 103           HG2      ARG 103 -11.142 -10.398  -4.390
  930    HG3  ARG 103           HG3      ARG 103  -9.885 -11.614  -4.658
  931    HD2  ARG 103           HD2      ARG 103 -12.083 -12.536  -5.134
  932    HD3  ARG 103           HD3      ARG 103 -11.349 -13.377  -3.782
  933    HE   ARG 103           HE       ARG 103 -13.630 -11.446  -3.698
  934   HH11  ARG 103          HH11      ARG 103 -11.797 -13.870  -1.933
  935   HH12  ARG 103          HH12      ARG 103 -12.982 -13.935  -0.654
  936   HH21  ARG 103          HH21      ARG 103 -15.075 -11.600  -2.037
  937   HH22  ARG 103          HH22      ARG 103 -14.796 -12.719  -0.737
  938    H    LYS 104           H        LYS 104 -10.121  -8.148  -1.517
  939    HA   LYS 104           HA       LYS 104 -10.534  -6.534  -3.917
  940    HB2  LYS 104           HB2      LYS 104 -12.029  -6.461  -1.915
  941    HB3  LYS 104           HB3      LYS 104 -10.701  -5.753  -0.984
  942    HG2  LYS 104           HG2      LYS 104 -10.671  -3.803  -2.579
  943    HG3  LYS 104           HG3      LYS 104 -11.994  -4.546  -3.476
  944    HD2  LYS 104           HD2      LYS 104 -12.850  -2.790  -2.033
  945    HD3  LYS 104           HD3      LYS 104 -13.455  -4.360  -1.479
  946    HE2  LYS 104           HE2      LYS 104 -11.686  -4.413   0.272
  947    HE3  LYS 104           HE3      LYS 104 -11.074  -2.852  -0.283
  948    HZ1  LYS 104           HZ1      LYS 104 -13.838  -3.258   0.726
  949    HZ2  LYS 104           HZ2      LYS 104 -13.102  -1.818   0.444
  950    HZ3  LYS 104           HZ3      LYS 104 -12.590  -2.805   1.670
  951    H    ILE 105           H        ILE 105  -8.206  -6.412  -1.180
  952    HA   ILE 105           HA       ILE 105  -6.763  -4.129  -2.102
  953    HB   ILE 105           HB       ILE 105  -5.855  -6.476  -0.410
  954   HG12  ILE 105          HG12      ILE 105  -6.510  -3.580   0.332
  955   HG13  ILE 105          HG13      ILE 105  -7.672  -4.894   0.444
  956   HG21  ILE 105          HG21      ILE 105  -3.843  -5.508  -1.446
  957   HG22  ILE 105          HG22      ILE 105  -4.383  -3.866  -1.028
  958   HG23  ILE 105          HG23      ILE 105  -3.917  -5.014   0.234
  959   HD11  ILE 105          HD11      ILE 105  -6.807  -4.556   2.615
  960   HD12  ILE 105          HD12      ILE 105  -6.147  -6.083   2.054
  961   HD13  ILE 105          HD13      ILE 105  -5.132  -4.610   2.088
  962    H    TYR 106           H        TYR 106  -6.186  -7.619  -2.920
  963    HA   TYR 106           HA       TYR 106  -3.991  -7.126  -4.592
  964    HB2  TYR 106           HB2      TYR 106  -6.086  -9.295  -4.844
  965    HB3  TYR 106           HB3      TYR 106  -4.554  -9.275  -5.702
  966    HD1  TYR 106           HD1      TYR 106  -2.635  -8.393  -3.515
  967    HD2  TYR 106           HD2      TYR 106  -5.903 -11.220  -3.521
  968    HE1  TYR 106           HE1      TYR 106  -1.617  -9.579  -1.592
  969    HE2  TYR 106           HE2      TYR 106  -4.852 -12.424  -1.610
  970    HH   TYR 106           HH       TYR 106  -1.700 -11.449  -0.278
  971    H    THR 107           H        THR 107  -7.432  -7.032  -5.608
  972    HA   THR 107           HA       THR 107  -6.684  -6.338  -8.307
  973    HB   THR 107           HB       THR 107  -8.845  -7.450  -7.602
  974    HG1  THR 107           HG1      THR 107  -9.760  -6.657  -9.473
  975   HG21  THR 107          HG21      THR 107  -9.750  -5.704  -6.098
  976   HG22  THR 107          HG22      THR 107 -10.801  -5.971  -7.487
  977   HG23  THR 107          HG23      THR 107  -9.757  -4.535  -7.437
  978    H    MET 108           H        MET 108  -7.353  -4.307  -5.491
  979    HA   MET 108           HA       MET 108  -7.165  -1.820  -6.973
  980    HB2  MET 108           HB2      MET 108  -6.637  -2.381  -4.034
  981    HB3  MET 108           HB3      MET 108  -6.718  -0.790  -4.815
  982    HG2  MET 108           HG2      MET 108  -9.046  -1.267  -5.526
  983    HG3  MET 108           HG3      MET 108  -9.014  -2.763  -4.609
  984    HE1  MET 108           HE1      MET 108  -7.369  -1.762  -1.878
  985    HE2  MET 108           HE2      MET 108  -8.767  -1.353  -0.868
  986    HE3  MET 108           HE3      MET 108  -8.789  -2.827  -1.864
  987    H    MET 109           H        MET 109  -4.693  -3.894  -5.400
  988    HA   MET 109           HA       MET 109  -2.449  -2.153  -5.932
  989    HB2  MET 109           HB2      MET 109  -2.631  -5.156  -5.464
  990    HB3  MET 109           HB3      MET 109  -1.114  -4.288  -5.655
  991    HG2  MET 109           HG2      MET 109  -3.161  -3.800  -3.467
  992    HG3  MET 109           HG3      MET 109  -1.661  -4.690  -3.292
  993    HE1  MET 109           HE1      MET 109   0.736  -3.605  -3.240
  994    HE2  MET 109           HE2      MET 109   0.514  -2.819  -4.822
  995    HE3  MET 109           HE3      MET 109   1.022  -1.861  -3.419
  996    H    ALA 110           H        ALA 110  -3.914  -4.850  -7.817
  997    HA   ALA 110           HA       ALA 110  -2.138  -4.717 -10.041
  998    HB1  ALA 110           HB1      ALA 110  -3.969  -5.856 -11.233
  999    HB2  ALA 110           HB2      ALA 110  -3.748  -6.543  -9.610
 1000    HB3  ALA 110           HB3      ALA 110  -5.102  -5.437  -9.931
 1001    H    SER 111           H        SER 111  -5.025  -2.749  -9.260
 1002    HA   SER 111           HA       SER 111  -4.979  -1.163 -11.670
 1003    HB2  SER 111           HB2      SER 111  -6.171  -0.529  -8.944
 1004    HB3  SER 111           HB3      SER 111  -6.449   0.378 -10.433
 1005    HG   SER 111           HG       SER 111  -7.133  -2.338  -9.914
 1006    H    MET 112           H        MET 112  -2.598  -1.258  -9.321
 1007    HA   MET 112           HA       MET 112  -1.719   1.525  -9.911
 1008    HB2  MET 112           HB2      MET 112  -0.432  -0.370  -7.941
 1009    HB3  MET 112           HB3      MET 112  -0.194   1.371  -8.129
 1010    HG2  MET 112           HG2      MET 112  -2.530   1.764  -7.367
 1011    HG3  MET 112           HG3      MET 112  -2.706   0.022  -7.138
 1012    HE1  MET 112           HE1      MET 112  -2.671   0.910  -3.438
 1013    HE2  MET 112           HE2      MET 112  -3.595   1.539  -4.820
 1014    HE3  MET 112           HE3      MET 112  -3.296  -0.206  -4.671
 1015    H    THR 113           H        THR 113  -1.354  -1.521 -11.247
 1016    HA   THR 113           HA       THR 113   1.227  -0.732 -12.468
 1017    HB   THR 113           HB       THR 113   2.352  -2.656 -12.174
 1018    HG1  THR 113           HG1      THR 113   1.428  -4.611 -11.695
 1019   HG21  THR 113          HG21      THR 113   0.672  -2.695  -9.625
 1020   HG22  THR 113          HG22      THR 113   2.053  -1.614  -9.906
 1021   HG23  THR 113          HG23      THR 113   2.296  -3.358  -9.843
 1022    H    GLY 114           H        GLY 114  -1.770  -2.470 -12.973
 1023    HA2  GLY 114           HA2      GLY 114  -1.277  -2.853 -15.860
 1024    HA3  GLY 114           HA3      GLY 114  -2.738  -3.239 -14.955
 1025    H    GLY 115           H        GLY 115  -3.509  -2.222 -17.102
 1026    HA2  GLY 115           HA2      GLY 115  -3.498   0.628 -17.474
 1027    HA3  GLY 115           HA3      GLY 115  -4.638  -0.512 -18.186
 1028    H    GLN 116           H        GLN 116  -4.768   2.218 -16.671
 1029    HA   GLN 116           HA       GLN 116  -6.424   1.683 -14.332
 1030    HB2  GLN 116           HB2      GLN 116  -5.819   4.294 -15.777
 1031    HB3  GLN 116           HB3      GLN 116  -6.614   4.129 -14.206
 1032    HG2  GLN 116           HG2      GLN 116  -4.528   2.943 -13.363
 1033    HG3  GLN 116           HG3      GLN 116  -3.731   3.402 -14.873
 1034   HE21  GLN 116          HE21      GLN 116  -3.919   5.919 -15.376
 1035   HE22  GLN 116          HE22      GLN 116  -3.795   6.964 -13.968
 1036    H    GLN 117           H        GLN 117  -8.609   2.062 -14.033
 1037    HA   GLN 117           HA       GLN 117 -10.379   2.069 -16.370
 1038    HB2  GLN 117           HB2      GLN 117 -12.165   1.848 -14.774
 1039    HB3  GLN 117           HB3      GLN 117 -10.885   0.699 -14.405
 1040    HG2  GLN 117           HG2      GLN 117 -10.107   2.105 -12.530
 1041    HG3  GLN 117           HG3      GLN 117 -11.295   3.349 -12.936
 1042   HE21  GLN 117          HE21      GLN 117 -13.684   2.607 -12.880
 1043   HE22  GLN 117          HE22      GLN 117 -14.094   1.382 -11.687
 1044    H    MET 118           H        MET 118  -8.866   4.547 -14.590
 1045    HA   MET 118           HA       MET 118 -10.905   6.553 -14.553
 1046    HB2  MET 118           HB2      MET 118  -8.967   6.582 -13.068
 1047    HB3  MET 118           HB3      MET 118  -7.873   6.738 -14.446
 1048    HG2  MET 118           HG2      MET 118  -8.132   8.873 -13.351
 1049    HG3  MET 118           HG3      MET 118  -8.810   8.956 -14.971
 1050    HE1  MET 118           HE1      MET 118 -10.073  11.181 -14.504
 1051    HE2  MET 118           HE2      MET 118 -11.069  11.485 -13.064
 1052    HE3  MET 118           HE3      MET 118  -9.321  11.217 -12.892
 1053    H    GLY 119           H        GLY 119 -11.369   8.253 -15.888
 1054    HA2  GLY 119           HA2      GLY 119  -9.922   9.076 -18.221
 1055    HA3  GLY 119           HA3      GLY 119 -11.235   7.999 -18.699
  Start of MODEL    3
    1    H1   MET -11           H1       MET -11  -2.226  -7.271  22.757
    2    H2   MET -11           H2       MET -11  -0.896  -7.086  21.818
    3    H3   MET -11           H3       MET -11  -1.953  -8.296  21.511
    4    HA   MET -11           HA       MET -11  -3.676  -6.747  20.916
    5    HB2  MET -11           HB2      MET -11  -3.036  -4.941  22.407
    6    HB3  MET -11           HB3      MET -11  -1.545  -4.657  21.505
    7    HG2  MET -11           HG2      MET -11  -2.831  -3.970  19.530
    8    HG3  MET -11           HG3      MET -11  -4.347  -4.306  20.368
    9    HE1  MET -11           HE1      MET -11  -4.657  -1.412  22.939
   10    HE2  MET -11           HE2      MET -11  -5.447  -2.797  22.156
   11    HE3  MET -11           HE3      MET -11  -4.083  -3.057  23.271
   12    HA   PRO -10           HA       PRO -10  -1.676  -7.657  16.996
   13    HB2  PRO -10           HB2      PRO -10  -3.811  -7.390  15.323
   14    HB3  PRO -10           HB3      PRO -10  -3.631  -8.773  16.446
   15    HG2  PRO -10           HG2      PRO -10  -5.232  -6.225  16.875
   16    HG3  PRO -10           HG3      PRO -10  -5.774  -7.921  17.098
   17    HD2  PRO -10           HD2      PRO -10  -4.899  -6.410  19.180
   18    HD3  PRO -10           HD3      PRO -10  -4.523  -8.158  19.086
   19    H    ARG  -9           H        ARG  -9  -0.977  -6.531  15.136
   20    HA   ARG  -9           HA       ARG  -9  -1.495  -3.571  15.048
   21    HB2  ARG  -9           HB2      ARG  -9   1.208  -4.972  15.017
   22    HB3  ARG  -9           HB3      ARG  -9   0.958  -3.266  14.628
   23    HG2  ARG  -9           HG2      ARG  -9  -0.006  -2.886  16.894
   24    HG3  ARG  -9           HG3      ARG  -9   0.342  -4.576  17.311
   25    HD2  ARG  -9           HD2      ARG  -9   2.741  -4.200  16.901
   26    HD3  ARG  -9           HD3      ARG  -9   2.412  -2.511  16.460
   27    HE   ARG  -9           HE       ARG  -9   1.302  -2.891  19.016
   28   HH11  ARG  -9          HH11      ARG  -9   4.538  -2.956  17.669
   29   HH12  ARG  -9          HH12      ARG  -9   5.275  -2.495  19.180
   30   HH21  ARG  -9          HH21      ARG  -9   2.307  -2.300  20.909
   31   HH22  ARG  -9          HH22      ARG  -9   4.038  -2.131  20.961
   32    H    PHE  -8           H        PHE  -8  -0.919  -2.467  13.126
   33    HA   PHE  -8           HA       PHE  -8  -2.092  -3.561  10.897
   34    HB2  PHE  -8           HB2      PHE  -8  -2.135  -1.292  10.947
   35    HB3  PHE  -8           HB3      PHE  -8  -0.418  -1.141  11.311
   36    HD1  PHE  -8           HD1      PHE  -8   1.302  -1.237   9.589
   37    HD2  PHE  -8           HD2      PHE  -8  -2.874  -1.642   8.583
   38    HE1  PHE  -8           HE1      PHE  -8   1.872  -1.161   7.178
   39    HE2  PHE  -8           HE2      PHE  -8  -2.292  -1.488   6.167
   40    HZ   PHE  -8           HZ       PHE  -8   0.079  -1.313   5.467
   41    H    TRP  -7           H        TRP  -7   1.446  -3.425  11.276
   42    HA   TRP  -7           HA       TRP  -7   1.947  -4.415   8.652
   43    HB2  TRP  -7           HB2      TRP  -7   3.591  -3.138   9.785
   44    HB3  TRP  -7           HB3      TRP  -7   3.670  -4.280  11.122
   45    HD1  TRP  -7           HD1      TRP  -7   5.128  -6.416  10.861
   46    HE1  TRP  -7           HE1      TRP  -7   6.786  -7.299   9.119
   47    HE3  TRP  -7           HE3      TRP  -7   4.093  -3.163   7.035
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.476  -6.765   6.376
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.227  -3.442   4.831
   50    HH2  TRP  -7           HH2      TRP  -7   6.893  -5.228   4.492
   51    H    GLU  -6           H        GLU  -6   1.132  -6.200  11.558
   52    HA   GLU  -6           HA       GLU  -6   2.015  -8.813  10.661
   53    HB2  GLU  -6           HB2      GLU  -6  -0.275  -8.019  12.499
   54    HB3  GLU  -6           HB3      GLU  -6   0.384  -9.644  12.337
   55    HG2  GLU  -6           HG2      GLU  -6   2.511  -8.991  13.270
   56    HG3  GLU  -6           HG3      GLU  -6   2.076  -7.282  13.259
   57    H    TYR  -5           H        TYR  -5  -1.044  -6.983  10.293
   58    HA   TYR  -5           HA       TYR  -5  -2.288  -8.960   8.588
   59    HB2  TYR  -5           HB2      TYR  -5  -2.990  -6.120   9.281
   60    HB3  TYR  -5           HB3      TYR  -5  -3.805  -6.995   7.996
   61    HD1  TYR  -5           HD1      TYR  -5  -5.188  -8.957   8.385
   62    HD2  TYR  -5           HD2      TYR  -5  -3.389  -6.763  11.641
   63    HE1  TYR  -5           HE1      TYR  -5  -6.728 -10.073   9.992
   64    HE2  TYR  -5           HE2      TYR  -5  -4.956  -7.856  13.239
   65    HH   TYR  -5           HH       TYR  -5  -6.635  -9.395  13.511
   66    H    TRP  -4           H        TRP  -4  -0.239  -6.184   7.897
   67    HA   TRP  -4           HA       TRP  -4  -0.671  -6.303   5.030
   68    HB2  TRP  -4           HB2      TRP  -4   0.172  -4.340   6.473
   69    HB3  TRP  -4           HB3      TRP  -4   1.750  -5.136   6.450
   70    HD1  TRP  -4           HD1      TRP  -4   2.987  -5.279   4.081
   71    HE1  TRP  -4           HE1      TRP  -4   2.660  -4.094   1.833
   72    HE3  TRP  -4           HE3      TRP  -4  -1.707  -3.423   4.839
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.519  -2.744   0.437
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.907  -2.263   3.004
   75    HH2  TRP  -4           HH2      TRP  -4  -1.816  -1.907   0.811
   76    H    LEU  -3           H        LEU  -3   1.861  -7.715   7.187
   77    HA   LEU  -3           HA       LEU  -3   3.458  -8.888   5.182
   78    HB2  LEU  -3           HB2      LEU  -3   3.968  -8.614   7.631
   79    HB3  LEU  -3           HB3      LEU  -3   2.803  -9.887   7.984
   80    HG   LEU  -3           HG       LEU  -3   4.250 -11.471   6.598
   81   HD11  LEU  -3          HD11      LEU  -3   6.602 -10.750   6.223
   82   HD12  LEU  -3          HD12      LEU  -3   6.179  -9.109   6.768
   83   HD13  LEU  -3          HD13      LEU  -3   5.476  -9.767   5.279
   84   HD21  LEU  -3          HD21      LEU  -3   5.550 -10.106   8.993
   85   HD22  LEU  -3          HD22      LEU  -3   5.948 -11.722   8.364
   86   HD23  LEU  -3          HD23      LEU  -3   4.349 -11.414   9.057
   87    H    ARG  -2           H        ARG  -2   0.378  -9.928   6.503
   88    HA   ARG  -2           HA       ARG  -2   0.323 -12.614   5.438
   89    HB2  ARG  -2           HB2      ARG  -2  -1.708 -10.679   6.560
   90    HB3  ARG  -2           HB3      ARG  -2  -2.240 -12.163   5.811
   91    HG2  ARG  -2           HG2      ARG  -2  -0.060 -12.445   7.858
   92    HG3  ARG  -2           HG3      ARG  -2  -1.636 -11.914   8.444
   93    HD2  ARG  -2           HD2      ARG  -2  -1.419 -14.345   8.564
   94    HD3  ARG  -2           HD3      ARG  -2  -2.747 -13.849   7.518
   95    HE   ARG  -2           HE       ARG  -2  -0.166 -15.116   6.702
   96   HH11  ARG  -2          HH11      ARG  -2  -3.358 -14.054   5.558
   97   HH12  ARG  -2          HH12      ARG  -2  -3.184 -15.033   4.130
   98   HH21  ARG  -2          HH21      ARG  -2  -0.070 -16.179   4.978
   99   HH22  ARG  -2          HH22      ARG  -2  -1.427 -16.354   3.863
  100    H    LEU  -1           H        LEU  -1  -0.302  -9.508   3.933
  101    HA   LEU  -1           HA       LEU  -1  -1.730 -10.491   1.623
  102    HB2  LEU  -1           HB2      LEU  -1   0.162  -8.148   2.008
  103    HB3  LEU  -1           HB3      LEU  -1  -0.700  -8.430   0.515
  104    HG   LEU  -1           HG       LEU  -1  -2.138  -7.985   3.159
  105   HD11  LEU  -1          HD11      LEU  -1  -0.694  -6.070   2.562
  106   HD12  LEU  -1          HD12      LEU  -1  -2.415  -5.665   2.388
  107   HD13  LEU  -1          HD13      LEU  -1  -1.420  -6.012   0.951
  108   HD21  LEU  -1          HD21      LEU  -1  -3.428  -9.053   1.285
  109   HD22  LEU  -1          HD22      LEU  -1  -3.027  -7.686   0.244
  110   HD23  LEU  -1          HD23      LEU  -1  -4.025  -7.427   1.689
  111    H    MET   0           H        MET   0   1.778  -9.753   2.127
  112    HA   MET   0           HA       MET   0   2.463 -10.833  -0.440
  113    HB2  MET   0           HB2      MET   0   4.760 -10.453   0.139
  114    HB3  MET   0           HB3      MET   0   3.783  -9.064   0.604
  115    HG2  MET   0           HG2      MET   0   3.871  -9.755   2.959
  116    HG3  MET   0           HG3      MET   0   4.732 -11.233   2.518
  117    HE1  MET   0           HE1      MET   0   4.898  -7.506   3.336
  118    HE2  MET   0           HE2      MET   0   6.481  -6.981   2.729
  119    HE3  MET   0           HE3      MET   0   5.173  -7.337   1.580
  120    H    GLU   1           H        GLU   1   2.353 -12.275   2.802
  121    HA   GLU   1           HA       GLU   1   3.639 -14.767   2.110
  122    HB2  GLU   1           HB2      GLU   1   3.286 -13.804   4.427
  123    HB3  GLU   1           HB3      GLU   1   1.574 -14.218   4.268
  124    HG2  GLU   1           HG2      GLU   1   2.375 -16.645   3.848
  125    HG3  GLU   1           HG3      GLU   1   3.973 -16.095   4.359
  126    H    GLY   2           H        GLY   2   0.195 -13.698   2.034
  127    HA2  GLY   2           HA2      GLY   2  -0.946 -16.208   1.246
  128    HA3  GLY   2           HA3      GLY   2  -1.653 -14.600   1.022
  129    H    GLY   3           H        GLY   3   0.132 -13.389  -0.666
  130    HA2  GLY   3           HA2      GLY   3   1.059 -13.177  -2.724
  131    HA3  GLY   3           HA3      GLY   3   1.285 -14.920  -2.737
  132    H    GLY   4           H        GLY   4  -1.538 -15.652  -2.815
  133    HA2  GLY   4           HA2      GLY   4  -1.922 -15.694  -5.633
  134    HA3  GLY   4           HA3      GLY   4  -3.095 -16.218  -4.425
  135    H    GLU   5           H        GLU   5  -2.902 -14.345  -7.005
  136    HA   GLU   5           HA       GLU   5  -3.538 -11.728  -6.343
  137    HB2  GLU   5           HB2      GLU   5  -4.316 -13.312  -8.820
  138    HB3  GLU   5           HB3      GLU   5  -4.356 -11.546  -8.688
  139    HG2  GLU   5           HG2      GLU   5  -1.920 -11.520  -8.214
  140    HG3  GLU   5           HG3      GLU   5  -1.861 -13.274  -8.420
  141    H    ASN   6           H        ASN   6  -5.775 -14.333  -6.095
  142    HA   ASN   6           HA       ASN   6  -7.983 -12.396  -5.548
  143    HB2  ASN   6           HB2      ASN   6  -8.178 -13.663  -7.769
  144    HB3  ASN   6           HB3      ASN   6  -8.318 -15.139  -6.811
  145   HD21  ASN   6          HD21      ASN   6 -10.448 -15.664  -7.336
  146   HD22  ASN   6          HD22      ASN   6 -11.804 -14.608  -6.968
  147    H    LEU   7           H        LEU   7  -5.931 -13.855  -3.787
  148    HA   LEU   7           HA       LEU   7  -5.742 -15.230  -2.012
  149    HB2  LEU   7           HB2      LEU   7  -7.049 -13.265  -1.090
  150    HB3  LEU   7           HB3      LEU   7  -8.506 -14.224  -1.277
  151    HG   LEU   7           HG       LEU   7  -7.443 -15.974   0.274
  152   HD11  LEU   7          HD11      LEU   7  -5.084 -15.303   0.100
  153   HD12  LEU   7          HD12      LEU   7  -5.642 -15.158   1.769
  154   HD13  LEU   7          HD13      LEU   7  -5.465 -13.706   0.765
  155   HD21  LEU   7          HD21      LEU   7  -9.161 -14.415   1.044
  156   HD22  LEU   7          HD22      LEU   7  -7.931 -13.178   1.368
  157   HD23  LEU   7          HD23      LEU   7  -7.953 -14.687   2.308
  158    H    TYR   8           H        TYR   8  -5.919 -16.895  -3.799
  159    HA   TYR   8           HA       TYR   8  -8.286 -18.253  -4.312
  160    HB2  TYR   8           HB2      TYR   8  -5.430 -19.020  -4.842
  161    HB3  TYR   8           HB3      TYR   8  -6.780 -20.026  -5.330
  162    HD1  TYR   8           HD2      TYR   8  -8.624 -19.051  -6.824
  163    HD2  TYR   8           HD1      TYR   8  -4.791 -17.161  -6.221
  164    HE1  TYR   8           HE2      TYR   8  -8.936 -17.735  -8.921
  165    HE2  TYR   8           HE1      TYR   8  -5.112 -15.842  -8.310
  166    HH   TYR   8           HH       TYR   8  -6.468 -15.429 -10.114
  167    H    PHE   9           H        PHE   9  -9.432 -19.940  -3.666
  168    HA   PHE   9           HA       PHE   9  -8.801 -21.079  -1.095
  169    HB2  PHE   9           HB2      PHE   9 -11.013 -20.547  -1.283
  170    HB3  PHE   9           HB3      PHE   9 -11.177 -21.287  -2.867
  171    HD1  PHE   9           HD1      PHE   9 -10.993 -21.977   0.765
  172    HD2  PHE   9           HD2      PHE   9 -11.553 -23.686  -3.158
  173    HE1  PHE   9           HE1      PHE   9 -11.749 -24.105   1.798
  174    HE2  PHE   9           HE2      PHE   9 -12.317 -25.810  -2.118
  175    HZ   PHE   9           HZ       PHE   9 -12.411 -26.024   0.359
  176    H    GLN  10           H        GLN  10  -8.434 -23.097  -0.387
  177    HA   GLN  10           HA       GLN  10  -8.281 -25.375  -2.107
  178    HB2  GLN  10           HB2      GLN  10  -5.855 -25.931  -1.543
  179    HB3  GLN  10           HB3      GLN  10  -6.173 -24.765  -2.804
  180    HG2  GLN  10           HG2      GLN  10  -4.293 -24.009  -1.534
  181    HG3  GLN  10           HG3      GLN  10  -5.619 -22.889  -1.297
  182   HE21  GLN  10          HE21      GLN  10  -4.572 -22.129   0.653
  183   HE22  GLN  10          HE22      GLN  10  -4.605 -23.099   2.119
  184    H    GLY  11           H        GLY  11  -7.570 -27.358  -0.803
  185    HA2  GLY  11           HA2      GLY  11  -9.538 -27.706   1.101
  186    HA3  GLY  11           HA3      GLY  11  -8.193 -28.808   0.837
  187    H    MET  12           H        MET  12  -6.334 -26.475   1.921
  188    HA   MET  12           HA       MET  12  -6.566 -27.225   4.775
  189    HB2  MET  12           HB2      MET  12  -4.565 -25.371   3.439
  190    HB3  MET  12           HB3      MET  12  -4.469 -26.049   5.058
  191    HG2  MET  12           HG2      MET  12  -4.328 -28.329   4.123
  192    HG3  MET  12           HG3      MET  12  -4.373 -27.673   2.486
  193    HE1  MET  12           HE1      MET  12  -0.942 -25.909   2.061
  194    HE2  MET  12           HE2      MET  12  -2.478 -26.387   1.302
  195    HE3  MET  12           HE3      MET  12  -2.453 -25.115   2.545
  196    H    SER  13           H        SER  13  -7.877 -24.830   2.813
  197    HA   SER  13           HA       SER  13  -8.867 -22.862   2.993
  198    HB2  SER  13           HB2      SER  13  -8.991 -23.403   5.966
  199    HB3  SER  13           HB3      SER  13  -9.699 -21.994   5.169
  200    HG   SER  13           HG       SER  13 -10.300 -24.733   4.649
  201    H    VAL  14           H        VAL  14  -7.973 -21.102   2.421
  202    HA   VAL  14           HA       VAL  14  -6.749 -19.292   2.218
  203    HB   VAL  14           HB       VAL  14  -6.099 -19.264   5.155
  204   HG11  VAL  14          HG11      VAL  14  -6.457 -17.009   3.132
  205   HG12  VAL  14          HG12      VAL  14  -6.083 -16.827   4.856
  206   HG13  VAL  14          HG13      VAL  14  -4.896 -17.571   3.787
  207   HG21  VAL  14          HG21      VAL  14  -8.605 -18.258   3.752
  208   HG22  VAL  14          HG22      VAL  14  -8.517 -19.530   4.993
  209   HG23  VAL  14          HG23      VAL  14  -8.137 -17.866   5.420
  210    HA   PRO  15           HA       PRO  15  -2.517 -20.765   1.620
  211    HB2  PRO  15           HB2      PRO  15  -1.469 -18.625   0.280
  212    HB3  PRO  15           HB3      PRO  15  -2.567 -19.816  -0.479
  213    HG2  PRO  15           HG2      PRO  15  -3.281 -17.098   0.665
  214    HG3  PRO  15           HG3      PRO  15  -3.763 -17.799  -0.912
  215    HD2  PRO  15           HD2      PRO  15  -5.392 -17.873   1.263
  216    HD3  PRO  15           HD3      PRO  15  -5.339 -19.229   0.101
  217    H    THR  16           H        THR  16  -1.338 -20.843   3.422
  218    HA   THR  16           HA       THR  16  -0.535 -18.401   4.852
  219    HB   THR  16           HB       THR  16  -1.564 -20.631   6.536
  220    HG1  THR  16           HG1      THR  16  -3.286 -20.204   5.204
  221   HG21  THR  16          HG21      THR  16  -2.106 -18.793   8.077
  222   HG22  THR  16          HG22      THR  16  -1.531 -17.605   6.891
  223   HG23  THR  16          HG23      THR  16  -0.395 -18.748   7.639
  224    H    ASP  17           H        ASP  17   1.277 -18.328   5.993
  225    HA   ASP  17           HA       ASP  17   3.519 -18.820   5.995
  226    HB2  ASP  17           HB2      ASP  17   3.977 -20.010   8.143
  227    HB3  ASP  17           HB3      ASP  17   2.980 -18.568   8.144
  228    H    GLY  18           H        GLY  18   2.760 -22.115   6.952
  229    HA2  GLY  18           HA2      GLY  18   5.202 -23.129   5.863
  230    HA3  GLY  18           HA3      GLY  18   3.845 -24.082   6.470
  231    H    ALA  19           H        ALA  19   2.199 -22.551   4.208
  232    HA   ALA  19           HA       ALA  19   2.246 -24.625   2.259
  233    HB1  ALA  19           HB1      ALA  19   1.217 -21.758   2.062
  234    HB2  ALA  19           HB2      ALA  19   0.770 -23.106   0.993
  235    HB3  ALA  19           HB3      ALA  19   0.316 -23.152   2.707
  236    H    VAL  20           H        VAL  20   4.149 -21.616   2.433
  237    HA   VAL  20           HA       VAL  20   5.172 -21.874  -0.275
  238    HB   VAL  20           HB       VAL  20   6.494 -20.059   0.012
  239   HG11  VAL  20          HG11      VAL  20   4.276 -19.484   2.020
  240   HG12  VAL  20          HG12      VAL  20   5.143 -18.325   0.996
  241   HG13  VAL  20          HG13      VAL  20   4.063 -19.515   0.252
  242   HG21  VAL  20          HG21      VAL  20   7.148 -19.035   2.175
  243   HG22  VAL  20          HG22      VAL  20   6.452 -20.427   3.027
  244   HG23  VAL  20          HG23      VAL  20   7.843 -20.637   1.939
  245    H    THR  21           H        THR  21   6.268 -23.049   2.866
  246    HA   THR  21           HA       THR  21   8.778 -24.018   2.027
  247    HB   THR  21           HB       THR  21   7.345 -25.400   4.245
  248    HG1  THR  21           HG1      THR  21   7.838 -23.645   5.587
  249   HG21  THR  21          HG21      THR  21   9.713 -25.962   3.793
  250   HG22  THR  21          HG22      THR  21   9.537 -25.156   5.357
  251   HG23  THR  21          HG23      THR  21  10.157 -24.248   3.959
  252    H    THR  22           H        THR  22   5.644 -25.487   1.594
  253    HA   THR  22           HA       THR  22   6.583 -28.061   0.848
  254    HB   THR  22           HB       THR  22   4.064 -27.065  -0.373
  255    HG1  THR  22           HG1      THR  22   3.006 -27.317   1.593
  256   HG21  THR  22          HG21      THR  22   3.220 -29.253   0.416
  257   HG22  THR  22          HG22      THR  22   4.786 -29.586   1.190
  258   HG23  THR  22          HG23      THR  22   4.663 -29.460  -0.579
  259    H    SER  23           H        SER  23   6.976 -25.184  -0.909
  260    HA   SER  23           HA       SER  23   6.804 -26.238  -3.589
  261    HB2  SER  23           HB2      SER  23   6.618 -23.832  -2.998
  262    HB3  SER  23           HB3      SER  23   8.345 -23.824  -2.581
  263    HG   SER  23           HG       SER  23   7.938 -23.142  -4.744
  264    H    GLN  24           H        GLN  24   8.497 -26.621  -5.081
  265    HA   GLN  24           HA       GLN  24  10.658 -28.279  -4.118
  266    HB2  GLN  24           HB2      GLN  24   9.429 -28.677  -6.194
  267    HB3  GLN  24           HB3      GLN  24  10.020 -27.155  -6.880
  268    HG2  GLN  24           HG2      GLN  24  12.300 -27.996  -6.959
  269    HG3  GLN  24           HG3      GLN  24  11.862 -29.415  -6.000
  270   HE21  GLN  24          HE21      GLN  24  13.052 -30.394  -7.985
  271   HE22  GLN  24          HE22      GLN  24  12.010 -30.827  -9.335
  272    H    ILE  25           H        ILE  25  10.446 -24.867  -4.787
  273    HA   ILE  25           HA       ILE  25  13.297 -24.494  -4.122
  274    HB   ILE  25           HB       ILE  25  13.129 -22.510  -5.940
  275   HG12  ILE  25          HG12      ILE  25  12.333 -23.373  -8.106
  276   HG13  ILE  25          HG13      ILE  25  11.570 -24.751  -7.321
  277   HG21  ILE  25          HG21      ILE  25  14.522 -23.906  -7.384
  278   HG22  ILE  25          HG22      ILE  25  14.923 -24.186  -5.686
  279   HG23  ILE  25          HG23      ILE  25  13.940 -25.373  -6.570
  280   HD11  ILE  25          HD11      ILE  25   9.974 -22.927  -7.895
  281   HD12  ILE  25          HD12      ILE  25  10.011 -23.220  -6.152
  282   HD13  ILE  25          HD13      ILE  25  10.862 -21.816  -6.834
  283    HA   PRO  26           HA       PRO  26  11.820 -21.569  -1.340
  284    HB2  PRO  26           HB2      PRO  26  13.751 -19.612  -1.188
  285    HB3  PRO  26           HB3      PRO  26  13.957 -21.279  -0.568
  286    HG2  PRO  26           HG2      PRO  26  14.840 -20.172  -3.254
  287    HG3  PRO  26           HG3      PRO  26  15.805 -21.125  -2.078
  288    HD2  PRO  26           HD2      PRO  26  14.626 -22.306  -4.197
  289    HD3  PRO  26           HD3      PRO  26  14.633 -23.121  -2.605
  290    H    ALA  27           H        ALA  27  10.457 -19.897  -1.165
  291    HA   ALA  27           HA       ALA  27   9.667 -18.315  -3.475
  292    HB1  ALA  27           HB1      ALA  27   8.782 -18.242  -0.554
  293    HB2  ALA  27           HB2      ALA  27   7.952 -17.464  -1.917
  294    HB3  ALA  27           HB3      ALA  27   8.053 -19.231  -1.842
  295    H    SER  28           H        SER  28   9.316 -15.945  -3.215
  296    HA   SER  28           HA       SER  28   9.934 -13.806  -3.032
  297    HB2  SER  28           HB2      SER  28   9.540 -14.310  -0.650
  298    HB3  SER  28           HB3      SER  28  11.270 -14.609  -0.436
  299    HG   SER  28           HG       SER  28  11.645 -12.438  -1.113
  300    H    GLU  29           H        GLU  29  12.702 -15.994  -2.914
  301    HA   GLU  29           HA       GLU  29  14.750 -14.042  -3.203
  302    HB2  GLU  29           HB2      GLU  29  15.030 -16.408  -2.500
  303    HB3  GLU  29           HB3      GLU  29  14.723 -16.926  -4.164
  304    HG2  GLU  29           HG2      GLU  29  16.720 -15.584  -4.900
  305    HG3  GLU  29           HG3      GLU  29  17.008 -15.140  -3.222
  306    H    GLN  30           H        GLN  30  12.668 -15.497  -5.656
  307    HA   GLN  30           HA       GLN  30  13.488 -13.389  -7.552
  308    HB2  GLN  30           HB2      GLN  30  13.275 -16.326  -8.361
  309    HB3  GLN  30           HB3      GLN  30  13.283 -14.961  -9.462
  310    HG2  GLN  30           HG2      GLN  30  15.467 -15.596  -9.593
  311    HG3  GLN  30           HG3      GLN  30  15.559 -14.299  -8.415
  312   HE21  GLN  30          HE22      GLN  30  17.722 -15.512  -8.091
  313   HE22  GLN  30          HE21      GLN  30  17.697 -16.817  -6.911
  314    H    GLU  31           H        GLU  31  11.826 -12.484  -8.636
  315    HA   GLU  31           HA       GLU  31   9.252 -13.768  -9.044
  316    HB2  GLU  31           HB2      GLU  31   9.076 -13.006  -6.663
  317    HB3  GLU  31           HB3      GLU  31   9.418 -11.359  -7.183
  318    HG2  GLU  31           HG2      GLU  31   7.323 -11.357  -8.523
  319    HG3  GLU  31           HG3      GLU  31   7.036 -13.043  -8.080
  320    H    THR  32           H        THR  32   7.987 -12.633 -10.623
  321    HA   THR  32           HA       THR  32   9.388 -11.040 -12.450
  322    HB   THR  32           HB       THR  32   6.409 -10.988 -12.494
  323    HG1  THR  32           HG1      THR  32   6.393 -13.064 -13.318
  324   HG21  THR  32          HG21      THR  32   8.540 -11.471 -14.626
  325   HG22  THR  32          HG22      THR  32   7.638  -9.959 -14.368
  326   HG23  THR  32          HG23      THR  32   6.786 -11.408 -14.905
  327    H    LEU  33           H        LEU  33   9.476  -8.933 -13.065
  328    HA   LEU  33           HA       LEU  33   8.794  -6.874 -11.122
  329    HB2  LEU  33           HB2      LEU  33   9.765  -6.656 -13.994
  330    HB3  LEU  33           HB3      LEU  33   9.640  -5.315 -12.864
  331    HG   LEU  33           HG       LEU  33  11.469  -7.727 -12.457
  332   HD11  LEU  33          HD11      LEU  33  13.286  -6.181 -13.075
  333   HD12  LEU  33          HD12      LEU  33  12.093  -4.914 -13.444
  334   HD13  LEU  33          HD13      LEU  33  12.145  -6.403 -14.410
  335   HD21  LEU  33          HD21      LEU  33  10.874  -6.602 -10.334
  336   HD22  LEU  33          HD22      LEU  33  11.345  -5.032 -11.027
  337   HD23  LEU  33          HD23      LEU  33  12.560  -6.303 -10.763
  338    H    VAL  34           H        VAL  34   7.257  -5.313 -11.235
  339    HA   VAL  34           HA       VAL  34   4.874  -5.958 -12.880
  340    HB   VAL  34           HB       VAL  34   3.501  -5.241 -11.216
  341   HG11  VAL  34          HG11      VAL  34   5.901  -6.270  -9.665
  342   HG12  VAL  34          HG12      VAL  34   4.211  -6.325  -9.161
  343   HG13  VAL  34          HG13      VAL  34   4.749  -7.292 -10.557
  344   HG21  VAL  34          HG21      VAL  34   4.363  -3.037 -10.657
  345   HG22  VAL  34          HG22      VAL  34   4.186  -3.984  -9.184
  346   HG23  VAL  34          HG23      VAL  34   5.797  -3.762  -9.877
  347    H    ARG  35           H        ARG  35   7.099  -3.436 -12.486
  348    HA   ARG  35           HA       ARG  35   7.252  -1.247 -13.058
  349    HB2  ARG  35           HB2      ARG  35   7.506  -2.447 -15.207
  350    HB3  ARG  35           HB3      ARG  35   5.793  -2.191 -15.553
  351    HG2  ARG  35           HG2      ARG  35   6.166   0.278 -15.540
  352    HG3  ARG  35           HG3      ARG  35   7.873   0.013 -15.140
  353    HD2  ARG  35           HD2      ARG  35   8.197  -1.211 -17.253
  354    HD3  ARG  35           HD3      ARG  35   6.492  -1.027 -17.658
  355    HE   ARG  35           HE       ARG  35   8.616   1.021 -17.782
  356   HH11  ARG  35          HH11      ARG  35   5.151   0.517 -17.996
  357   HH12  ARG  35          HH12      ARG  35   4.905   1.994 -18.886
  358   HH21  ARG  35          HH22      ARG  35   8.222   2.896 -18.892
  359   HH22  ARG  35          HH21      ARG  35   6.600   3.304 -19.370
  360    HA   PRO  36           HA       PRO  36   2.989  -0.252 -11.591
  361    HB2  PRO  36           HB2      PRO  36   3.623   1.142  -9.329
  362    HB3  PRO  36           HB3      PRO  36   3.604  -0.645  -9.408
  363    HG2  PRO  36           HG2      PRO  36   5.978   1.211  -9.570
  364    HG3  PRO  36           HG3      PRO  36   5.794  -0.331  -8.663
  365    HD2  PRO  36           HD2      PRO  36   7.029  -0.114 -11.132
  366    HD3  PRO  36           HD3      PRO  36   6.226  -1.601 -10.561
  367    H    LYS  37           H        LYS  37   1.855   1.811 -11.206
  368    HA   LYS  37           HA       LYS  37   2.456   3.894 -13.036
  369    HB2  LYS  37           HB2      LYS  37   0.735   3.933 -10.513
  370    HB3  LYS  37           HB3      LYS  37   0.803   5.253 -11.683
  371    HG2  LYS  37           HG2      LYS  37   0.136   3.532 -13.473
  372    HG3  LYS  37           HG3      LYS  37  -0.270   2.452 -12.141
  373    HD2  LYS  37           HD2      LYS  37  -1.477   5.183 -12.739
  374    HD3  LYS  37           HD3      LYS  37  -2.255   3.610 -12.937
  375    HE2  LYS  37           HE2      LYS  37  -2.130   3.264 -10.455
  376    HE3  LYS  37           HE3      LYS  37  -1.413   4.869 -10.283
  377    HZ1  LYS  37           HZ1      LYS  37  -3.818   4.926  -9.919
  378    HZ2  LYS  37           HZ2      LYS  37  -4.111   4.320 -11.406
  379    HZ3  LYS  37           HZ3      LYS  37  -3.452   5.806 -11.245
  380    HA   PRO  38           HA       PRO  38   5.596   6.355 -11.098
  381    HB2  PRO  38           HB2      PRO  38   4.932   8.921 -11.872
  382    HB3  PRO  38           HB3      PRO  38   5.686   7.700 -12.939
  383    HG2  PRO  38           HG2      PRO  38   2.742   8.391 -12.695
  384    HG3  PRO  38           HG3      PRO  38   3.722   8.222 -14.188
  385    HD2  PRO  38           HD2      PRO  38   2.182   6.191 -13.318
  386    HD3  PRO  38           HD3      PRO  38   3.813   5.859 -13.969
  387    H    LEU  39           H        LEU  39   2.196   7.281 -10.562
  388    HA   LEU  39           HA       LEU  39   2.507   8.853  -8.231
  389    HB2  LEU  39           HB2      LEU  39   0.445   8.612  -9.643
  390    HB3  LEU  39           HB3      LEU  39   0.249   6.970  -9.034
  391    HG   LEU  39           HG       LEU  39  -0.008   7.930  -6.698
  392   HD11  LEU  39          HD11      LEU  39   1.092  10.105  -6.998
  393   HD12  LEU  39          HD12      LEU  39  -0.604  10.357  -6.566
  394   HD13  LEU  39          HD13      LEU  39  -0.088  10.561  -8.251
  395   HD21  LEU  39          HD21      LEU  39  -2.299   8.703  -7.056
  396   HD22  LEU  39          HD22      LEU  39  -1.955   7.317  -8.100
  397   HD23  LEU  39          HD23      LEU  39  -1.972   8.955  -8.786
  398    H    LEU  40           H        LEU  40   2.281   5.290  -8.574
  399    HA   LEU  40           HA       LEU  40   2.397   4.834  -5.696
  400    HB2  LEU  40           HB2      LEU  40   1.239   3.265  -7.228
  401    HB3  LEU  40           HB3      LEU  40   2.754   2.931  -8.049
  402    HG   LEU  40           HG       LEU  40   3.702   1.907  -6.019
  403   HD11  LEU  40          HD11      LEU  40   2.252   1.489  -4.035
  404   HD12  LEU  40          HD12      LEU  40   1.002   2.535  -4.751
  405   HD13  LEU  40          HD13      LEU  40   2.569   3.209  -4.250
  406   HD21  LEU  40          HD21      LEU  40   2.215  -0.041  -5.853
  407   HD22  LEU  40          HD22      LEU  40   2.343   0.484  -7.538
  408   HD23  LEU  40          HD23      LEU  40   0.901   0.874  -6.584
  409    H    LEU  41           H        LEU  41   4.693   4.563  -8.430
  410    HA   LEU  41           HA       LEU  41   6.938   3.650  -7.000
  411    HB2  LEU  41           HB2      LEU  41   6.813   3.706  -9.416
  412    HB3  LEU  41           HB3      LEU  41   6.676   5.465  -9.415
  413    HG   LEU  41           HG       LEU  41   8.957   5.725  -8.634
  414   HD11  LEU  41          HD11      LEU  41   8.992   2.683  -8.589
  415   HD12  LEU  41          HD12      LEU  41   9.339   3.781  -7.226
  416   HD13  LEU  41          HD13      LEU  41  10.463   3.671  -8.578
  417   HD21  LEU  41          HD21      LEU  41  10.115   4.865 -10.628
  418   HD22  LEU  41          HD22      LEU  41   8.523   5.523 -11.050
  419   HD23  LEU  41          HD23      LEU  41   8.762   3.764 -10.951
  420    H    LYS  42           H        LYS  42   5.832   7.041  -7.408
  421    HA   LYS  42           HA       LYS  42   7.886   8.319  -5.934
  422    HB2  LYS  42           HB2      LYS  42   6.218   9.493  -7.298
  423    HB3  LYS  42           HB3      LYS  42   4.910   8.944  -6.246
  424    HG2  LYS  42           HG2      LYS  42   5.796  10.307  -4.379
  425    HG3  LYS  42           HG3      LYS  42   7.179  10.781  -5.377
  426    HD2  LYS  42           HD2      LYS  42   5.588  12.581  -5.334
  427    HD3  LYS  42           HD3      LYS  42   5.619  11.896  -6.969
  428    HE2  LYS  42           HE2      LYS  42   3.537  10.637  -6.480
  429    HE3  LYS  42           HE3      LYS  42   3.537  11.254  -4.823
  430    HZ1  LYS  42           HZ1      LYS  42   3.297  13.507  -5.735
  431    HZ2  LYS  42           HZ2      LYS  42   2.067  12.569  -6.249
  432    HZ3  LYS  42           HZ3      LYS  42   3.291  12.937  -7.266
  433    H    LEU  43           H        LEU  43   4.929   6.705  -4.720
  434    HA   LEU  43           HA       LEU  43   5.283   7.416  -1.949
  435    HB2  LEU  43           HB2      LEU  43   3.167   6.662  -2.895
  436    HB3  LEU  43           HB3      LEU  43   3.804   5.064  -3.198
  437    HG   LEU  43           HG       LEU  43   3.717   6.200  -0.388
  438   HD11  LEU  43          HD11      LEU  43   1.559   5.088  -0.108
  439   HD12  LEU  43          HD12      LEU  43   1.595   4.535  -1.789
  440   HD13  LEU  43          HD13      LEU  43   1.436   6.265  -1.420
  441   HD21  LEU  43          HD21      LEU  43   3.438   3.713   0.129
  442   HD22  LEU  43          HD22      LEU  43   5.024   4.143  -0.476
  443   HD23  LEU  43          HD23      LEU  43   3.842   3.375  -1.561
  444    H    LEU  44           H        LEU  44   6.364   4.531  -3.836
  445    HA   LEU  44           HA       LEU  44   7.761   3.274  -1.680
  446    HB2  LEU  44           HB2      LEU  44   8.792   3.163  -4.517
  447    HB3  LEU  44           HB3      LEU  44   8.857   1.925  -3.273
  448    HG   LEU  44           HG       LEU  44   6.403   2.804  -4.819
  449   HD11  LEU  44          HD11      LEU  44   6.516   0.623  -5.885
  450   HD12  LEU  44          HD12      LEU  44   8.001   0.237  -4.978
  451   HD13  LEU  44          HD13      LEU  44   7.999   1.549  -6.172
  452   HD21  LEU  44          HD21      LEU  44   6.556   0.371  -3.048
  453   HD22  LEU  44          HD22      LEU  44   5.132   1.106  -3.785
  454   HD23  LEU  44          HD23      LEU  44   5.944   1.928  -2.440
  455    H    LYS  45           H        LYS  45   8.896   5.689  -4.055
  456    HA   LYS  45           HA       LYS  45  11.558   5.964  -3.015
  457    HB2  LYS  45           HB2      LYS  45   9.796   7.703  -4.745
  458    HB3  LYS  45           HB3      LYS  45  11.441   8.178  -4.296
  459    HG2  LYS  45           HG2      LYS  45  12.419   6.264  -5.324
  460    HG3  LYS  45           HG3      LYS  45  10.849   5.470  -5.578
  461    HD2  LYS  45           HD2      LYS  45  10.169   7.173  -7.139
  462    HD3  LYS  45           HD3      LYS  45  11.660   8.116  -6.817
  463    HE2  LYS  45           HE2      LYS  45  12.936   6.030  -7.590
  464    HE3  LYS  45           HE3      LYS  45  11.372   5.411  -8.141
  465    HZ1  LYS  45           HZ1      LYS  45  12.572   6.549  -9.941
  466    HZ2  LYS  45           HZ2      LYS  45  12.650   7.928  -9.083
  467    HZ3  LYS  45           HZ3      LYS  45  11.203   7.379  -9.603
  468    H    SER  46           H        SER  46   8.567   7.512  -1.898
  469    HA   SER  46           HA       SER  46   9.846   9.468  -0.245
  470    HB2  SER  46           HB2      SER  46   7.791   9.812   0.782
  471    HB3  SER  46           HB3      SER  46   7.370   9.319  -0.861
  472    HG   SER  46           HG       SER  46   6.973   7.196  -0.015
  473    H    VAL  47           H        VAL  47   9.388   6.000   0.233
  474    HA   VAL  47           HA       VAL  47  10.801   6.170   2.853
  475    HB   VAL  47           HB       VAL  47  10.151   3.909   3.303
  476   HG11  VAL  47          HG11      VAL  47   7.793   4.256   3.679
  477   HG12  VAL  47          HG12      VAL  47   8.659   5.774   3.966
  478   HG13  VAL  47          HG13      VAL  47   7.735   5.554   2.465
  479   HG21  VAL  47          HG21      VAL  47   8.475   3.937   0.766
  480   HG22  VAL  47          HG22      VAL  47  10.012   3.068   0.937
  481   HG23  VAL  47          HG23      VAL  47   8.625   2.629   1.953
  482    H    GLY  48           H        GLY  48  11.900   6.416  -0.018
  483    HA2  GLY  48           HA2      GLY  48  14.108   6.377  -0.595
  484    HA3  GLY  48           HA3      GLY  48  14.467   5.343   0.780
  485    H    ALA  49           H        ALA  49  12.161   4.424  -1.873
  486    HA   ALA  49           HA       ALA  49  13.632   1.978  -2.314
  487    HB1  ALA  49           HB1      ALA  49  11.797   1.452  -3.724
  488    HB2  ALA  49           HB2      ALA  49  11.139   2.350  -2.386
  489    HB3  ALA  49           HB3      ALA  49  11.373   3.175  -3.953
  490    H    GLN  50           H        GLN  50  15.283   1.613  -3.721
  491    HA   GLN  50           HA       GLN  50  16.524   3.909  -4.960
  492    HB2  GLN  50           HB2      GLN  50  17.756   2.279  -3.631
  493    HB3  GLN  50           HB3      GLN  50  17.315   0.988  -4.742
  494    HG2  GLN  50           HG2      GLN  50  19.614   1.623  -5.107
  495    HG3  GLN  50           HG3      GLN  50  18.673   2.011  -6.532
  496   HE21  GLN  50          HE21      GLN  50  20.609   3.422  -7.018
  497   HE22  GLN  50          HE22      GLN  50  20.658   5.016  -6.277
  498    H    LYS  51           H        LYS  51  14.980   1.044  -6.348
  499    HA   LYS  51           HA       LYS  51  15.971   1.470  -9.089
  500    HB2  LYS  51           HB2      LYS  51  13.847  -0.449  -8.056
  501    HB3  LYS  51           HB3      LYS  51  14.670  -0.529  -9.608
  502    HG2  LYS  51           HG2      LYS  51  16.830  -0.942  -8.433
  503    HG3  LYS  51           HG3      LYS  51  15.970  -0.988  -6.887
  504    HD2  LYS  51           HD2      LYS  51  15.422  -2.837  -9.249
  505    HD3  LYS  51           HD3      LYS  51  16.417  -3.250  -7.845
  506    HE2  LYS  51           HE2      LYS  51  14.491  -3.005  -6.341
  507    HE3  LYS  51           HE3      LYS  51  13.472  -2.468  -7.682
  508    HZ1  LYS  51           HZ1      LYS  51  13.116  -4.806  -7.220
  509    HZ2  LYS  51           HZ2      LYS  51  14.690  -5.160  -7.449
  510    HZ3  LYS  51           HZ3      LYS  51  13.772  -4.640  -8.711
  511    H    ASP  52           H        ASP  52  14.365   1.335 -10.891
  512    HA   ASP  52           HA       ASP  52  11.947   2.989 -10.449
  513    HB2  ASP  52           HB2      ASP  52  12.004   3.421 -12.913
  514    HB3  ASP  52           HB3      ASP  52  13.221   4.178 -11.903
  515    H    THR  53           H        THR  53  12.641  -0.204 -10.699
  516    HA   THR  53           HA       THR  53   9.830  -0.894 -11.441
  517    HB   THR  53           HB       THR  53  10.945  -3.035 -12.483
  518    HG1  THR  53           HG1      THR  53  12.888  -2.544 -13.587
  519   HG21  THR  53          HG21      THR  53  10.983  -0.426 -14.037
  520   HG22  THR  53          HG22      THR  53   9.575  -1.483 -13.769
  521   HG23  THR  53          HG23      THR  53  10.943  -2.072 -14.721
  522    H    TYR  54           H        TYR  54   9.106  -2.704 -10.349
  523    HA   TYR  54           HA       TYR  54  10.789  -3.956  -8.266
  524    HB2  TYR  54           HB2      TYR  54   8.281  -2.322  -7.785
  525    HB3  TYR  54           HB3      TYR  54   8.995  -3.396  -6.590
  526    HD1  TYR  54           HD1      TYR  54  11.365  -2.981  -5.774
  527    HD2  TYR  54           HD2      TYR  54   9.134  -0.109  -8.097
  528    HE1  TYR  54           HE1      TYR  54  12.976  -1.187  -5.115
  529    HE2  TYR  54           HE2      TYR  54  10.759   1.676  -7.415
  530    HH   TYR  54           HH       TYR  54  12.794   2.049  -6.543
  531    H    THR  55           H        THR  55   9.922  -5.840  -7.265
  532    HA   THR  55           HA       THR  55   7.951  -7.310  -8.862
  533    HB   THR  55           HB       THR  55   8.431  -9.228  -7.836
  534    HG1  THR  55           HG1      THR  55   8.355  -9.343  -5.846
  535   HG21  THR  55          HG21      THR  55  10.527  -8.458  -8.870
  536   HG22  THR  55          HG22      THR  55  10.808  -9.497  -7.463
  537   HG23  THR  55          HG23      THR  55  11.032  -7.752  -7.315
  538    H    MET  56           H        MET  56   6.110  -8.559  -7.759
  539    HA   MET  56           HA       MET  56   4.248  -6.770  -6.550
  540    HB2  MET  56           HB2      MET  56   4.419  -9.784  -6.762
  541    HB3  MET  56           HB3      MET  56   3.190  -9.043  -5.737
  542    HG2  MET  56           HG2      MET  56   3.556  -8.428  -8.680
  543    HG3  MET  56           HG3      MET  56   2.365  -9.538  -8.013
  544    HE1  MET  56           HE1      MET  56   1.989  -6.795  -9.911
  545    HE2  MET  56           HE2      MET  56   0.695  -7.978  -9.608
  546    HE3  MET  56           HE3      MET  56   0.419  -6.249  -9.286
  547    H    LYS  57           H        LYS  57   6.429  -9.179  -4.978
  548    HA   LYS  57           HA       LYS  57   5.574  -8.562  -2.293
  549    HB2  LYS  57           HB2      LYS  57   6.633 -10.668  -2.981
  550    HB3  LYS  57           HB3      LYS  57   8.153  -9.840  -3.308
  551    HG2  LYS  57           HG2      LYS  57   6.902  -9.594  -0.563
  552    HG3  LYS  57           HG3      LYS  57   7.661 -11.118  -1.028
  553    HD2  LYS  57           HD2      LYS  57   9.806 -10.013  -1.425
  554    HD3  LYS  57           HD3      LYS  57   9.103  -8.430  -1.103
  555    HE2  LYS  57           HE2      LYS  57  10.357  -9.175   0.822
  556    HE3  LYS  57           HE3      LYS  57   8.646  -9.023   1.222
  557    HZ1  LYS  57           HZ1      LYS  57   8.432 -11.412   1.103
  558    HZ2  LYS  57           HZ2      LYS  57   9.712 -11.096   2.066
  559    HZ3  LYS  57           HZ3      LYS  57   9.950 -11.602   0.523
  560    H    GLU  58           H        GLU  58   8.211  -7.233  -4.312
  561    HA   GLU  58           HA       GLU  58   9.346  -5.570  -2.246
  562    HB2  GLU  58           HB2      GLU  58   9.347  -5.374  -5.266
  563    HB3  GLU  58           HB3      GLU  58  10.225  -4.253  -4.217
  564    HG2  GLU  58           HG2      GLU  58  11.549  -6.075  -3.275
  565    HG3  GLU  58           HG3      GLU  58  10.676  -7.263  -4.248
  566    H    VAL  59           H        VAL  59   6.836  -4.851  -4.729
  567    HA   VAL  59           HA       VAL  59   6.372  -2.127  -3.921
  568    HB   VAL  59           HB       VAL  59   4.568  -4.167  -5.295
  569   HG11  VAL  59          HG11      VAL  59   4.099  -1.183  -4.886
  570   HG12  VAL  59          HG12      VAL  59   3.154  -2.245  -5.959
  571   HG13  VAL  59          HG13      VAL  59   3.106  -2.495  -4.217
  572   HG21  VAL  59          HG21      VAL  59   6.525  -3.428  -6.618
  573   HG22  VAL  59          HG22      VAL  59   5.035  -2.773  -7.297
  574   HG23  VAL  59          HG23      VAL  59   6.101  -1.733  -6.329
  575    H    LEU  60           H        LEU  60   4.715  -5.206  -2.936
  576    HA   LEU  60           HA       LEU  60   2.984  -4.016  -1.016
  577    HB2  LEU  60           HB2      LEU  60   4.236  -6.775  -1.273
  578    HB3  LEU  60           HB3      LEU  60   3.202  -6.383   0.092
  579    HG   LEU  60           HG       LEU  60   2.258  -6.076  -2.786
  580   HD11  LEU  60          HD11      LEU  60   1.825  -8.406  -0.868
  581   HD12  LEU  60          HD12      LEU  60   2.851  -8.440  -2.323
  582   HD13  LEU  60          HD13      LEU  60   1.103  -8.220  -2.482
  583   HD21  LEU  60          HD21      LEU  60   0.935  -4.809  -1.113
  584   HD22  LEU  60          HD22      LEU  60   0.781  -6.267  -0.117
  585   HD23  LEU  60          HD23      LEU  60   0.013  -6.190  -1.718
  586    H    PHE  61           H        PHE  61   6.341  -5.275  -0.559
  587    HA   PHE  61           HA       PHE  61   6.528  -4.648   2.169
  588    HB2  PHE  61           HB2      PHE  61   8.161  -6.069   1.370
  589    HB3  PHE  61           HB3      PHE  61   8.587  -5.006   0.043
  590    HD1  PHE  61           HD1      PHE  61   9.014  -5.580   3.672
  591    HD2  PHE  61           HD2      PHE  61  10.139  -3.145   0.291
  592    HE1  PHE  61           HE1      PHE  61  10.837  -4.558   5.012
  593    HE2  PHE  61           HE2      PHE  61  11.965  -2.137   1.632
  594    HZ   PHE  61           HZ       PHE  61  12.314  -2.834   3.994
  595    H    TYR  62           H        TYR  62   7.702  -2.493  -0.446
  596    HA   TYR  62           HA       TYR  62   8.259  -0.353   1.336
  597    HB2  TYR  62           HB2      TYR  62   7.786  -0.487  -1.610
  598    HB3  TYR  62           HB3      TYR  62   8.104   1.049  -0.807
  599    HD1  TYR  62           HD2      TYR  62  10.285   0.835   0.913
  600    HD2  TYR  62           HD1      TYR  62   9.582  -1.385  -2.719
  601    HE1  TYR  62           HE2      TYR  62  12.733   0.578   0.597
  602    HE2  TYR  62           HE1      TYR  62  12.019  -1.680  -3.008
  603    HH   TYR  62           HH       TYR  62  14.407  -0.364  -0.674
  604    H    LEU  63           H        LEU  63   5.254  -0.994  -0.450
  605    HA   LEU  63           HA       LEU  63   3.893   1.400   0.283
  606    HB2  LEU  63           HB2      LEU  63   3.268  -0.064  -1.574
  607    HB3  LEU  63           HB3      LEU  63   2.920  -1.383  -0.456
  608    HG   LEU  63           HG       LEU  63   0.990  -0.187   0.448
  609   HD11  LEU  63          HD11      LEU  63   0.188   1.881  -0.746
  610   HD12  LEU  63          HD12      LEU  63   1.768   1.992  -1.539
  611   HD13  LEU  63          HD13      LEU  63   1.636   2.146   0.232
  612   HD21  LEU  63          HD21      LEU  63   1.032  -0.198  -2.606
  613   HD22  LEU  63          HD22      LEU  63  -0.407  -0.277  -1.574
  614   HD23  LEU  63          HD23      LEU  63   0.749  -1.619  -1.584
  615    H    GLY  64           H        GLY  64   3.957  -1.840   1.865
  616    HA2  GLY  64           HA2      GLY  64   2.246  -1.175   4.065
  617    HA3  GLY  64           HA3      GLY  64   3.444  -2.470   4.012
  618    H    GLN  65           H        GLN  65   5.851  -1.045   3.755
  619    HA   GLN  65           HA       GLN  65   6.343  -0.112   6.419
  620    HB2  GLN  65           HB2      GLN  65   7.903   0.200   3.830
  621    HB3  GLN  65           HB3      GLN  65   8.514   0.732   5.393
  622    HG2  GLN  65           HG2      GLN  65   7.675  -2.147   4.804
  623    HG3  GLN  65           HG3      GLN  65   9.318  -1.550   4.645
  624   HE21  GLN  65          HE21      GLN  65   7.794  -3.550   6.554
  625   HE22  GLN  65          HE22      GLN  65   8.505  -3.096   8.095
  626    H    TYR  66           H        TYR  66   5.478   1.697   3.442
  627    HA   TYR  66           HA       TYR  66   5.680   4.290   4.648
  628    HB2  TYR  66           HB2      TYR  66   5.719   4.194   2.302
  629    HB3  TYR  66           HB3      TYR  66   4.234   3.279   2.236
  630    HD1  TYR  66           HD2      TYR  66   2.001   4.365   2.651
  631    HD2  TYR  66           HD1      TYR  66   5.675   6.617   2.491
  632    HE1  TYR  66           HE2      TYR  66   0.707   6.457   2.324
  633    HE2  TYR  66           HE1      TYR  66   4.383   8.700   2.114
  634    HH   TYR  66           HH       TYR  66   0.795   8.735   2.061
  635    H    ILE  67           H        ILE  67   2.808   2.207   4.208
  636    HA   ILE  67           HA       ILE  67   0.970   3.906   5.551
  637    HB   ILE  67           HB       ILE  67   0.997   0.881   5.297
  638   HG12  ILE  67          HG12      ILE  67  -0.660   2.791   3.618
  639   HG13  ILE  67          HG13      ILE  67   0.967   2.368   3.136
  640   HG21  ILE  67          HG21      ILE  67  -1.299   2.769   5.976
  641   HG22  ILE  67          HG22      ILE  67  -1.496   1.053   5.630
  642   HG23  ILE  67          HG23      ILE  67  -0.602   1.545   7.060
  643   HD11  ILE  67          HD11      ILE  67  -1.312   0.388   3.499
  644   HD12  ILE  67          HD12      ILE  67  -0.577   0.915   1.981
  645   HD13  ILE  67          HD13      ILE  67   0.372  -0.046   3.124
  646    H    MET  68           H        MET  68   3.086   1.348   6.852
  647    HA   MET  68           HA       MET  68   2.263   1.462   9.564
  648    HB2  MET  68           HB2      MET  68   3.650  -0.350   8.581
  649    HB3  MET  68           HB3      MET  68   4.987   0.788   8.418
  650    HG2  MET  68           HG2      MET  68   4.324   1.052  11.107
  651    HG3  MET  68           HG3      MET  68   3.969  -0.639  10.812
  652    HE1  MET  68           HE1      MET  68   7.443  -2.067   9.736
  653    HE2  MET  68           HE2      MET  68   5.798  -2.465  10.260
  654    HE3  MET  68           HE3      MET  68   6.055  -1.597   8.726
  655    H    THR  69           H        THR  69   5.111   3.119   8.014
  656    HA   THR  69           HA       THR  69   5.691   4.542  10.418
  657    HB   THR  69           HB       THR  69   7.312   3.897   8.596
  658    HG1  THR  69           HG1      THR  69   8.628   5.578   9.260
  659   HG21  THR  69          HG21      THR  69   6.623   6.674   7.523
  660   HG22  THR  69          HG22      THR  69   6.204   5.148   6.711
  661   HG23  THR  69          HG23      THR  69   7.900   5.577   6.959
  662    H    LYS  70           H        LYS  70   3.831   5.585   7.602
  663    HA   LYS  70           HA       LYS  70   3.295   8.253   8.667
  664    HB2  LYS  70           HB2      LYS  70   1.932   6.595   6.507
  665    HB3  LYS  70           HB3      LYS  70   1.541   8.269   6.861
  666    HG2  LYS  70           HG2      LYS  70   4.230   7.240   5.851
  667    HG3  LYS  70           HG3      LYS  70   2.990   8.043   4.901
  668    HD2  LYS  70           HD2      LYS  70   4.590   9.314   7.160
  669    HD3  LYS  70           HD3      LYS  70   4.842   9.543   5.428
  670    HE2  LYS  70           HE2      LYS  70   2.542  10.484   5.215
  671    HE3  LYS  70           HE3      LYS  70   2.318  10.313   6.961
  672    HZ1  LYS  70           HZ1      LYS  70   3.025  12.560   6.379
  673    HZ2  LYS  70           HZ2      LYS  70   4.387  12.013   5.669
  674    HZ3  LYS  70           HZ3      LYS  70   4.185  11.854   7.282
  675    H    ARG  71           H        ARG  71   2.189   5.219   9.644
  676    HA   ARG  71           HA       ARG  71   0.613   4.503  11.108
  677    HB2  ARG  71           HB2      ARG  71   1.041   7.320  12.149
  678    HB3  ARG  71           HB3      ARG  71   0.192   6.056  13.046
  679    HG2  ARG  71           HG2      ARG  71   2.122   4.685  13.226
  680    HG3  ARG  71           HG3      ARG  71   3.021   5.619  12.024
  681    HD2  ARG  71           HD2      ARG  71   3.173   7.541  13.486
  682    HD3  ARG  71           HD3      ARG  71   2.111   6.775  14.668
  683    HE   ARG  71           HE       ARG  71   3.861   5.538  15.488
  684   HH11  ARG  71          HH11      ARG  71   5.014   6.708  12.344
  685   HH12  ARG  71          HH12      ARG  71   6.650   6.288  12.737
  686   HH21  ARG  71          HH21      ARG  71   5.965   5.004  15.836
  687   HH22  ARG  71          HH22      ARG  71   7.165   5.324  14.620
  688    H    LEU  72           H        LEU  72  -0.500   4.962   8.762
  689    HA   LEU  72           HA       LEU  72  -2.847   6.685   8.892
  690    HB2  LEU  72           HB2      LEU  72  -2.075   4.588   6.846
  691    HB3  LEU  72           HB3      LEU  72  -3.287   5.839   6.624
  692    HG   LEU  72           HG       LEU  72  -0.300   6.318   6.996
  693   HD11  LEU  72          HD11      LEU  72  -0.318   6.968   4.635
  694   HD12  LEU  72          HD12      LEU  72  -2.040   6.544   4.515
  695   HD13  LEU  72          HD13      LEU  72  -0.823   5.286   4.836
  696   HD21  LEU  72          HD21      LEU  72  -0.843   8.642   6.273
  697   HD22  LEU  72          HD22      LEU  72  -1.574   8.228   7.829
  698   HD23  LEU  72          HD23      LEU  72  -2.574   8.242   6.356
  699    H    TYR  73           H        TYR  73  -2.375   3.622  10.178
  700    HA   TYR  73           HA       TYR  73  -5.053   2.599   9.763
  701    HB2  TYR  73           HB2      TYR  73  -4.448   0.940  11.548
  702    HB3  TYR  73           HB3      TYR  73  -3.527   0.919  10.056
  703    HD1  TYR  73           HD1      TYR  73  -1.147   1.627   9.974
  704    HD2  TYR  73           HD2      TYR  73  -3.405   1.658  13.655
  705    HE1  TYR  73           HE1      TYR  73   0.961   1.890  11.276
  706    HE2  TYR  73           HE2      TYR  73  -1.285   1.883  14.949
  707    HH   TYR  73           HH       TYR  73   1.915   2.038  13.345
  708    H    ASP  74           H        ASP  74  -6.751   2.278  11.309
  709    HA   ASP  74           HA       ASP  74  -7.205   4.519  13.069
  710    HB2  ASP  74           HB2      ASP  74  -9.114   3.601  12.186
  711    HB3  ASP  74           HB3      ASP  74  -8.663   1.957  12.608
  712    H    GLU  75           H        GLU  75  -6.856   4.842  15.226
  713    HA   GLU  75           HA       GLU  75  -4.820   3.386  16.608
  714    HB2  GLU  75           HB2      GLU  75  -5.306   4.811  18.460
  715    HB3  GLU  75           HB3      GLU  75  -5.498   5.782  16.993
  716    HG2  GLU  75           HG2      GLU  75  -8.005   5.321  17.159
  717    HG3  GLU  75           HG3      GLU  75  -7.690   4.566  18.728
  718    H    LYS  76           H        LYS  76  -8.320   2.994  16.517
  719    HA   LYS  76           HA       LYS  76  -8.359   1.007  18.721
  720    HB2  LYS  76           HB2      LYS  76 -10.675   1.887  16.938
  721    HB3  LYS  76           HB3      LYS  76 -10.748   1.017  18.472
  722    HG2  LYS  76           HG2      LYS  76  -9.679   3.032  19.561
  723    HG3  LYS  76           HG3      LYS  76  -9.848   3.894  18.020
  724    HD2  LYS  76           HD2      LYS  76 -12.287   3.631  18.087
  725    HD3  LYS  76           HD3      LYS  76 -12.161   2.698  19.582
  726    HE2  LYS  76           HE2      LYS  76 -12.842   4.941  20.119
  727    HE3  LYS  76           HE3      LYS  76 -11.229   4.655  20.768
  728    HZ1  LYS  76           HZ1      LYS  76 -11.567   6.844  19.620
  729    HZ2  LYS  76           HZ2      LYS  76 -11.688   6.066  18.194
  730    HZ3  LYS  76           HZ3      LYS  76 -10.287   6.038  19.059
  731    H    GLN  77           H        GLN  77  -9.487   0.999  15.330
  732    HA   GLN  77           HA       GLN  77  -9.091  -1.930  15.126
  733    HB2  GLN  77           HB2      GLN  77 -10.149   0.073  13.108
  734    HB3  GLN  77           HB3      GLN  77 -10.100  -1.670  12.892
  735    HG2  GLN  77           HG2      GLN  77 -11.766  -2.100  14.448
  736    HG3  GLN  77           HG3      GLN  77 -11.542  -0.578  15.311
  737   HE21  GLN  77          HE21      GLN  77 -11.881   1.460  13.703
  738   HE22  GLN  77          HE22      GLN  77 -13.379   1.342  12.765
  739    H    GLN  78           H        GLN  78  -6.782  -1.870  15.453
  740    HA   GLN  78           HA       GLN  78  -5.024  -0.502  13.612
  741    HB2  GLN  78           HB2      GLN  78  -4.454  -2.582  15.749
  742    HB3  GLN  78           HB3      GLN  78  -3.221  -1.693  14.836
  743    HG2  GLN  78           HG2      GLN  78  -4.105   0.456  15.685
  744    HG3  GLN  78           HG3      GLN  78  -5.339  -0.405  16.604
  745   HE21  GLN  78          HE21      GLN  78  -4.514   0.648  18.520
  746   HE22  GLN  78          HE22      GLN  78  -3.067  -0.014  19.294
  747    H    HIS  79           H        HIS  79  -6.834  -2.135  12.265
  748    HA   HIS  79           HA       HIS  79  -5.014  -3.551  10.448
  749    HB2  HIS  79           HB2      HIS  79  -6.359  -5.533  10.323
  750    HB3  HIS  79           HB3      HIS  79  -5.937  -5.258  12.014
  751    HD1  HIS  79           HD1      HIS  79  -7.994  -4.672  13.682
  752    HD2  HIS  79           HD2      HIS  79  -8.957  -5.312   9.638
  753    HE1  HIS  79           HE1      HIS  79 -10.537  -4.885  13.576
  754    H    ILE  80           H        ILE  80  -7.238  -1.133  10.834
  755    HA   ILE  80           HA       ILE  80  -8.148  -1.323   7.995
  756    HB   ILE  80           HB       ILE  80  -9.587   0.100  10.253
  757   HG12  ILE  80          HG12      ILE  80 -10.190  -2.600   8.976
  758   HG13  ILE  80          HG13      ILE  80  -9.731  -2.302  10.650
  759   HG21  ILE  80          HG21      ILE  80 -10.515  -0.532   7.414
  760   HG22  ILE  80          HG22      ILE  80 -11.374   0.434   8.628
  761   HG23  ILE  80          HG23      ILE  80  -9.890   1.048   7.927
  762   HD11  ILE  80          HD11      ILE  80 -12.353  -1.570   9.330
  763   HD12  ILE  80          HD12      ILE  80 -12.057  -2.678  10.681
  764   HD13  ILE  80          HD13      ILE  80 -11.836  -0.928  10.907
  765    H    VAL  81           H        VAL  81  -7.522   0.245   6.699
  766    HA   VAL  81           HA       VAL  81  -5.797   2.391   7.777
  767    HB   VAL  81           HB       VAL  81  -5.929   1.588   4.882
  768   HG11  VAL  81          HG11      VAL  81  -3.613   2.480   4.893
  769   HG12  VAL  81          HG12      VAL  81  -4.778   3.712   5.371
  770   HG13  VAL  81          HG13      VAL  81  -3.786   2.898   6.609
  771   HG21  VAL  81          HG21      VAL  81  -3.911   0.188   5.287
  772   HG22  VAL  81          HG22      VAL  81  -4.162   0.364   7.039
  773   HG23  VAL  81          HG23      VAL  81  -5.363  -0.476   6.024
  774    H    TYR  82           H        TYR  82  -6.090   4.519   7.424
  775    HA   TYR  82           HA       TYR  82  -8.469   5.425   5.883
  776    HB2  TYR  82           HB2      TYR  82  -7.594   6.291   8.647
  777    HB3  TYR  82           HB3      TYR  82  -8.754   7.161   7.658
  778    HD1  TYR  82           HD2      TYR  82  -8.142   3.955   9.452
  779    HD2  TYR  82           HD1      TYR  82 -11.051   6.463   7.485
  780    HE1  TYR  82           HE2      TYR  82  -9.973   2.522  10.329
  781    HE2  TYR  82           HE1      TYR  82 -12.883   5.026   8.367
  782    HH   TYR  82           HH       TYR  82 -13.427   3.193   9.631
  783    H    CYS  83           H        CYS  83  -8.115   6.937   4.397
  784    HA   CYS  83           HA       CYS  83  -6.132   9.049   4.750
  785    HB2  CYS  83           HB2      CYS  83  -4.727   7.115   3.982
  786    HB3  CYS  83           HB3      CYS  83  -5.740   6.990   2.531
  787    HG   CYS  83           HG       CYS  83  -3.811   9.468   3.612
  788    H    SER  84           H        SER  84  -7.694  10.576   4.391
  789    HA   SER  84           HA       SER  84  -9.071  10.620   1.744
  790    HB2  SER  84           HB2      SER  84 -10.571  12.289   2.719
  791    HB3  SER  84           HB3      SER  84 -10.633  10.735   3.565
  792    HG   SER  84           HG       SER  84 -10.549  12.517   5.016
  793    H    ASN  85           H        ASN  85  -8.823  12.305   0.376
  794    HA   ASN  85           HA       ASN  85  -7.750  13.864  -0.811
  795    HB2  ASN  85           HB2      ASN  85  -7.606  15.298   1.859
  796    HB3  ASN  85           HB3      ASN  85  -7.394  16.058   0.287
  797   HD21  ASN  85          HD21      ASN  85  -9.456  16.549   2.387
  798   HD22  ASN  85          HD22      ASN  85 -10.975  16.364   1.520
  799    H    ASP  86           H        ASP  86  -5.902  11.881   0.763
  800    HA   ASP  86           HA       ASP  86  -3.356  13.140  -0.057
  801    HB2  ASP  86           HB2      ASP  86  -3.976  11.764   2.525
  802    HB3  ASP  86           HB3      ASP  86  -2.346  11.700   1.875
  803    H    LEU  87           H        LEU  87  -1.494  11.560  -0.178
  804    HA   LEU  87           HA       LEU  87  -1.804  10.408  -2.631
  805    HB2  LEU  87           HB2      LEU  87   0.290  11.159  -1.640
  806    HB3  LEU  87           HB3      LEU  87   0.276   9.812  -0.504
  807    HG   LEU  87           HG       LEU  87   0.603   8.205  -2.338
  808   HD11  LEU  87          HD11      LEU  87  -0.531   9.338  -4.196
  809   HD12  LEU  87          HD12      LEU  87   1.151   9.015  -4.617
  810   HD13  LEU  87          HD13      LEU  87   0.659  10.660  -4.144
  811   HD21  LEU  87          HD21      LEU  87   2.532  10.569  -2.406
  812   HD22  LEU  87          HD22      LEU  87   2.890   8.940  -3.006
  813   HD23  LEU  87          HD23      LEU  87   2.581   9.196  -1.277
  814    H    LEU  88           H        LEU  88  -2.033   8.504   0.435
  815    HA   LEU  88           HA       LEU  88  -2.119   5.987  -0.973
  816    HB2  LEU  88           HB2      LEU  88  -1.545   6.422   1.529
  817    HB3  LEU  88           HB3      LEU  88  -3.287   6.458   1.775
  818    HG   LEU  88           HG       LEU  88  -3.239   4.166   0.441
  819   HD11  LEU  88          HD11      LEU  88  -0.847   4.259  -0.145
  820   HD12  LEU  88          HD12      LEU  88  -1.210   2.865   0.879
  821   HD13  LEU  88          HD13      LEU  88  -0.423   4.289   1.582
  822   HD21  LEU  88          HD21      LEU  88  -2.337   4.358   3.315
  823   HD22  LEU  88          HD22      LEU  88  -2.981   2.909   2.503
  824   HD23  LEU  88          HD23      LEU  88  -4.011   4.336   2.724
  825    H    GLY  89           H        GLY  89  -4.677   8.215   0.115
  826    HA2  GLY  89           HA2      GLY  89  -6.931   6.565  -0.658
  827    HA3  GLY  89           HA3      GLY  89  -6.927   8.314  -0.382
  828    H    ASP  90           H        ASP  90  -4.974   9.065  -2.304
  829    HA   ASP  90           HA       ASP  90  -6.458   9.069  -4.768
  830    HB2  ASP  90           HB2      ASP  90  -3.651   9.948  -4.066
  831    HB3  ASP  90           HB3      ASP  90  -4.294  10.040  -5.699
  832    H    LEU  91           H        LEU  91  -3.840   7.008  -3.654
  833    HA   LEU  91           HA       LEU  91  -3.525   5.540  -6.133
  834    HB2  LEU  91           HB2      LEU  91  -2.784   5.103  -3.226
  835    HB3  LEU  91           HB3      LEU  91  -2.550   3.819  -4.400
  836    HG   LEU  91           HG       LEU  91  -1.288   6.582  -4.686
  837   HD11  LEU  91          HD11      LEU  91   0.769   5.454  -3.956
  838   HD12  LEU  91          HD12      LEU  91  -0.193   4.007  -3.546
  839   HD13  LEU  91          HD13      LEU  91  -0.475   5.537  -2.698
  840   HD21  LEU  91          HD21      LEU  91   0.160   5.435  -6.292
  841   HD22  LEU  91          HD22      LEU  91  -1.511   5.304  -6.827
  842   HD23  LEU  91          HD23      LEU  91  -0.727   3.913  -6.053
  843    H    PHE  92           H        PHE  92  -5.117   4.533  -3.033
  844    HA   PHE  92           HA       PHE  92  -6.253   2.250  -4.337
  845    HB2  PHE  92           HB2      PHE  92  -6.535   3.310  -1.553
  846    HB3  PHE  92           HB3      PHE  92  -7.512   1.975  -2.128
  847    HD1  PHE  92           HD1      PHE  92  -6.441  -0.139  -2.997
  848    HD2  PHE  92           HD2      PHE  92  -4.246   2.902  -0.918
  849    HE1  PHE  92           HE1      PHE  92  -4.589  -1.767  -2.581
  850    HE2  PHE  92           HE2      PHE  92  -2.441   1.266  -0.407
  851    HZ   PHE  92           HZ       PHE  92  -2.614  -1.069  -1.263
  852    H    GLY  93           H        GLY  93  -7.540   5.404  -4.234
  853    HA2  GLY  93           HA2      GLY  93  -9.389   6.218  -5.342
  854    HA3  GLY  93           HA3      GLY  93  -9.839   4.580  -5.828
  855    H    VAL  94           H        VAL  94  -9.334   5.120  -2.432
  856    HA   VAL  94           HA       VAL  94 -12.204   5.520  -1.806
  857    HB   VAL  94           HB       VAL  94 -12.008   3.657  -0.080
  858   HG11  VAL  94          HG11      VAL  94 -12.030   2.778  -2.981
  859   HG12  VAL  94          HG12      VAL  94 -12.705   1.900  -1.594
  860   HG13  VAL  94          HG13      VAL  94 -13.405   3.458  -2.072
  861   HG21  VAL  94          HG21      VAL  94 -10.521   1.784  -0.482
  862   HG22  VAL  94          HG22      VAL  94  -9.775   2.604  -1.859
  863   HG23  VAL  94          HG23      VAL  94  -9.550   3.235  -0.209
  864    HA   PRO  95           HA       PRO  95 -10.330   7.850   1.529
  865    HB2  PRO  95           HB2      PRO  95 -12.361   7.981   3.346
  866    HB3  PRO  95           HB3      PRO  95 -12.431   8.814   1.763
  867    HG2  PRO  95           HG2      PRO  95 -13.613   6.101   2.479
  868    HG3  PRO  95           HG3      PRO  95 -14.434   7.487   1.687
  869    HD2  PRO  95           HD2      PRO  95 -13.392   5.438   0.260
  870    HD3  PRO  95           HD3      PRO  95 -13.287   7.114  -0.342
  871    H    SER  96           H        SER  96 -11.542   4.590   2.073
  872    HA   SER  96           HA       SER  96  -9.426   3.994   3.964
  873    HB2  SER  96           HB2      SER  96 -10.919   3.229   5.779
  874    HB3  SER  96           HB3      SER  96 -11.082   4.967   5.489
  875    HG   SER  96           HG       SER  96 -13.117   3.927   5.719
  876    H    PHE  97           H        PHE  97  -9.279   1.701   4.481
  877    HA   PHE  97           HA       PHE  97 -11.120  -0.199   3.247
  878    HB2  PHE  97           HB2      PHE  97  -9.563  -1.295   1.786
  879    HB3  PHE  97           HB3      PHE  97  -9.616   0.386   1.315
  880    HD1  PHE  97           HD1      PHE  97  -7.596  -2.272   2.877
  881    HD2  PHE  97           HD2      PHE  97  -7.612   1.834   1.563
  882    HE1  PHE  97           HE1      PHE  97  -5.136  -2.177   3.122
  883    HE2  PHE  97           HE2      PHE  97  -5.134   1.903   1.772
  884    HZ   PHE  97           HZ       PHE  97  -3.897  -0.126   2.578
  885    H    SER  98           H        SER  98 -10.695  -2.385   3.991
  886    HA   SER  98           HA       SER  98  -9.150  -2.493   6.536
  887    HB2  SER  98           HB2      SER  98 -11.489  -3.080   6.706
  888    HB3  SER  98           HB3      SER  98 -11.291  -4.341   5.466
  889    HG   SER  98           HG       SER  98 -11.127  -4.986   7.765
  890    H    VAL  99           H        VAL  99  -7.418  -3.709   6.834
  891    HA   VAL  99           HA       VAL  99  -6.329  -5.355   4.678
  892    HB   VAL  99           HB       VAL  99  -4.984  -5.152   7.328
  893   HG11  VAL  99          HG11      VAL  99  -3.989  -6.592   5.504
  894   HG12  VAL  99          HG12      VAL  99  -3.895  -5.152   4.468
  895   HG13  VAL  99          HG13      VAL  99  -2.948  -5.248   5.962
  896   HG21  VAL  99          HG21      VAL  99  -3.773  -3.153   6.624
  897   HG22  VAL  99          HG22      VAL  99  -4.796  -2.996   5.185
  898   HG23  VAL  99          HG23      VAL  99  -5.477  -2.784   6.810
  899    H    LYS 100           H        LYS 100  -8.640  -5.968   6.897
  900    HA   LYS 100           HA       LYS 100  -8.088  -8.725   7.591
  901    HB2  LYS 100           HB2      LYS 100  -9.820  -7.145   8.616
  902    HB3  LYS 100           HB3      LYS 100 -10.760  -7.326   7.145
  903    HG2  LYS 100           HG2      LYS 100 -11.699  -8.729   8.838
  904    HG3  LYS 100           HG3      LYS 100 -11.026  -9.745   7.579
  905    HD2  LYS 100           HD2      LYS 100 -10.581 -10.641   9.834
  906    HD3  LYS 100           HD3      LYS 100  -9.097 -10.300   8.962
  907    HE2  LYS 100           HE2      LYS 100  -8.887  -9.643  11.296
  908    HE3  LYS 100           HE3      LYS 100  -8.754  -8.232  10.251
  909    HZ1  LYS 100           HZ1      LYS 100 -11.213  -9.010  11.736
  910    HZ2  LYS 100           HZ2      LYS 100 -11.044  -7.654  10.824
  911    HZ3  LYS 100           HZ3      LYS 100 -10.178  -7.825  12.181
  912    H    GLU 101           H        GLU 101  -9.345  -7.170   4.694
  913    HA   GLU 101           HA       GLU 101  -9.955  -9.826   3.452
  914    HB2  GLU 101           HB2      GLU 101 -11.118  -7.101   2.786
  915    HB3  GLU 101           HB3      GLU 101 -11.436  -8.638   1.958
  916    HG2  GLU 101           HG2      GLU 101 -12.194  -9.552   4.229
  917    HG3  GLU 101           HG3      GLU 101 -12.161  -7.886   4.814
  918    H    HIS 102           H        HIS 102  -7.708 -10.134   2.989
  919    HA   HIS 102           HA       HIS 102  -6.043  -8.550   1.439
  920    HB2  HIS 102           HB2      HIS 102  -6.320 -11.569   1.243
  921    HB3  HIS 102           HB3      HIS 102  -4.885 -10.641   0.874
  922    HD1  HIS 102           HD1      HIS 102  -4.417  -8.962   3.450
  923    HD2  HIS 102           HD2      HIS 102  -5.801 -12.933   3.377
  924    HE1  HIS 102           HE1      HIS 102  -3.811  -9.960   5.696
  925    H    ARG 103           H        ARG 103  -8.616 -10.686   0.260
  926    HA   ARG 103           HA       ARG 103  -8.111 -10.683  -2.518
  927    HB2  ARG 103           HB2      ARG 103  -9.685 -12.134  -1.259
  928    HB3  ARG 103           HB3      ARG 103 -10.782 -10.768  -1.044
  929    HG2  ARG 103           HG2      ARG 103 -11.138 -10.619  -3.472
  930    HG3  ARG 103           HG3      ARG 103  -9.936 -11.887  -3.755
  931    HD2  ARG 103           HD2      ARG 103 -12.542 -12.225  -2.212
  932    HD3  ARG 103           HD3      ARG 103 -12.288 -12.702  -3.894
  933    HE   ARG 103           HE       ARG 103 -10.441 -14.222  -3.020
  934   HH11  ARG 103          HH12      ARG 103 -13.341 -13.666  -1.129
  935   HH12  ARG 103          HH11      ARG 103 -13.138 -15.143  -0.231
  936   HH21  ARG 103          HH21      ARG 103 -10.196 -16.045  -1.777
  937   HH22  ARG 103          HH22      ARG 103 -11.431 -16.461  -0.626
  938    H    LYS 104           H        LYS 104  -9.822  -8.224  -0.601
  939    HA   LYS 104           HA       LYS 104 -10.637  -6.590  -2.890
  940    HB2  LYS 104           HB2      LYS 104 -10.253  -5.810   0.042
  941    HB3  LYS 104           HB3      LYS 104 -11.045  -4.838  -1.188
  942    HG2  LYS 104           HG2      LYS 104 -12.038  -7.492  -0.079
  943    HG3  LYS 104           HG3      LYS 104 -12.667  -5.878   0.267
  944    HD2  LYS 104           HD2      LYS 104 -13.114  -5.699  -2.284
  945    HD3  LYS 104           HD3      LYS 104 -12.867  -7.449  -2.329
  946    HE2  LYS 104           HE2      LYS 104 -14.949  -5.910  -0.706
  947    HE3  LYS 104           HE3      LYS 104 -15.251  -6.867  -2.159
  948    HZ1  LYS 104           HZ1      LYS 104 -14.376  -7.915   0.490
  949    HZ2  LYS 104           HZ2      LYS 104 -14.500  -8.843  -0.867
  950    HZ3  LYS 104           HZ3      LYS 104 -15.822  -8.143  -0.216
  951    H    ILE 105           H        ILE 105  -7.873  -6.509  -0.624
  952    HA   ILE 105           HA       ILE 105  -6.732  -4.126  -1.757
  953    HB   ILE 105           HB       ILE 105  -5.458  -6.319  -0.093
  954   HG12  ILE 105          HG12      ILE 105  -6.323  -3.462   0.584
  955   HG13  ILE 105          HG13      ILE 105  -7.309  -4.885   0.912
  956   HG21  ILE 105          HG21      ILE 105  -3.681  -5.209  -1.407
  957   HG22  ILE 105          HG22      ILE 105  -4.337  -3.614  -0.981
  958   HG23  ILE 105          HG23      ILE 105  -3.590  -4.654   0.250
  959   HD11  ILE 105          HD11      ILE 105  -5.565  -5.793   2.404
  960   HD12  ILE 105          HD12      ILE 105  -4.602  -4.306   2.162
  961   HD13  ILE 105          HD13      ILE 105  -6.192  -4.215   2.913
  962    H    TYR 106           H        TYR 106  -5.984  -7.613  -2.455
  963    HA   TYR 106           HA       TYR 106  -3.927  -7.079  -4.290
  964    HB2  TYR 106           HB2      TYR 106  -6.024  -9.284  -4.495
  965    HB3  TYR 106           HB3      TYR 106  -4.482  -9.262  -5.332
  966    HD1  TYR 106           HD2      TYR 106  -2.504  -8.582  -3.243
  967    HD2  TYR 106           HD1      TYR 106  -5.980 -11.136  -3.129
  968    HE1  TYR 106           HE2      TYR 106  -1.433  -9.968  -1.489
  969    HE2  TYR 106           HE1      TYR 106  -4.895 -12.527  -1.375
  970    HH   TYR 106           HH       TYR 106  -1.597 -11.900  -0.215
  971    H    THR 107           H        THR 107  -7.464  -7.280  -5.038
  972    HA   THR 107           HA       THR 107  -7.028  -6.779  -7.820
  973    HB   THR 107           HB       THR 107  -9.047  -7.894  -6.760
  974    HG1  THR 107           HG1      THR 107 -10.212  -7.334  -8.582
  975   HG21  THR 107          HG21      THR 107 -11.034  -6.495  -6.520
  976   HG22  THR 107          HG22      THR 107 -10.082  -5.021  -6.803
  977   HG23  THR 107          HG23      THR 107  -9.809  -6.001  -5.346
  978    H    MET 108           H        MET 108  -7.720  -4.483  -5.191
  979    HA   MET 108           HA       MET 108  -7.820  -2.162  -6.921
  980    HB2  MET 108           HB2      MET 108  -7.148  -2.425  -3.958
  981    HB3  MET 108           HB3      MET 108  -7.361  -0.899  -4.844
  982    HG2  MET 108           HG2      MET 108  -9.662  -1.606  -5.477
  983    HG3  MET 108           HG3      MET 108  -9.506  -3.002  -4.418
  984    HE1  MET 108           HE1      MET 108  -9.336  -1.305  -0.848
  985    HE2  MET 108           HE2      MET 108  -9.363  -2.842  -1.741
  986    HE3  MET 108           HE3      MET 108  -7.937  -1.779  -1.832
  987    H    MET 109           H        MET 109  -5.140  -3.775  -5.176
  988    HA   MET 109           HA       MET 109  -3.228  -1.731  -5.890
  989    HB2  MET 109           HB2      MET 109  -1.836  -2.768  -4.459
  990    HB3  MET 109           HB3      MET 109  -3.338  -3.321  -3.835
  991    HG2  MET 109           HG2      MET 109  -2.153  -5.253  -3.780
  992    HG3  MET 109           HG3      MET 109  -2.868  -5.433  -5.372
  993    HE1  MET 109           HE1      MET 109   1.519  -4.325  -4.377
  994    HE2  MET 109           HE2      MET 109   0.343  -2.998  -4.503
  995    HE3  MET 109           HE3      MET 109   0.113  -4.259  -3.285
  996    H    ALA 110           H        ALA 110  -4.187  -4.804  -7.426
  997    HA   ALA 110           HA       ALA 110  -2.083  -4.879  -9.373
  998    HB1  ALA 110           HB1      ALA 110  -4.973  -5.851  -9.498
  999    HB2  ALA 110           HB2      ALA 110  -3.671  -6.319 -10.614
 1000    HB3  ALA 110           HB3      ALA 110  -3.571  -6.773  -8.904
 1001    H    SER 111           H        SER 111  -5.055  -2.920  -9.218
 1002    HA   SER 111           HA       SER 111  -5.060  -1.949 -11.906
 1003    HB2  SER 111           HB2      SER 111  -6.904  -1.693 -10.208
 1004    HB3  SER 111           HB3      SER 111  -5.914  -0.468  -9.392
 1005    HG   SER 111           HG       SER 111  -7.270   0.602 -10.745
 1006    H    MET 112           H        MET 112  -2.976  -1.181  -9.193
 1007    HA   MET 112           HA       MET 112  -1.903   1.291 -10.319
 1008    HB2  MET 112           HB2      MET 112  -0.720  -0.379  -8.082
 1009    HB3  MET 112           HB3      MET 112  -0.461   1.331  -8.424
 1010    HG2  MET 112           HG2      MET 112  -2.805   1.828  -7.826
 1011    HG3  MET 112           HG3      MET 112  -3.093   0.114  -7.511
 1012    HE1  MET 112           HE1      MET 112  -3.325   1.421  -3.928
 1013    HE2  MET 112           HE2      MET 112  -4.068   1.872  -5.480
 1014    HE3  MET 112           HE3      MET 112  -3.914   0.164  -5.038
 1015    H    THR 113           H        THR 113  -1.484  -1.880 -11.264
 1016    HA   THR 113           HA       THR 113   1.203  -1.323 -12.343
 1017    HB   THR 113           HB       THR 113   2.181  -3.253 -11.796
 1018    HG1  THR 113           HG1      THR 113   0.720  -4.724 -12.496
 1019   HG21  THR 113          HG21      THR 113   1.834  -3.780  -9.437
 1020   HG22  THR 113          HG22      THR 113   0.276  -2.946  -9.435
 1021   HG23  THR 113          HG23      THR 113   1.784  -2.027  -9.681
 1022    H    GLY 114           H        GLY 114  -1.743  -1.546 -13.530
 1023    HA2  GLY 114           HA2      GLY 114  -0.849  -1.660 -16.166
 1024    HA3  GLY 114           HA3      GLY 114  -1.326  -3.312 -15.791
 1025    H    GLY 115           H        GLY 115  -2.533  -2.246 -17.814
 1026    HA2  GLY 115           HA2      GLY 115  -4.639  -2.219 -18.733
 1027    HA3  GLY 115           HA3      GLY 115  -5.334  -2.361 -17.131
 1028    H    GLN 116           H        GLN 116  -6.831  -0.965 -18.570
 1029    HA   GLN 116           HA       GLN 116  -6.321   1.945 -18.122
 1030    HB2  GLN 116           HB2      GLN 116  -7.492   0.667 -20.620
 1031    HB3  GLN 116           HB3      GLN 116  -7.404   2.405 -20.292
 1032    HG2  GLN 116           HG2      GLN 116  -4.911   2.226 -20.128
 1033    HG3  GLN 116           HG3      GLN 116  -5.024   0.537 -20.630
 1034   HE21  GLN 116          HE21      GLN 116  -3.449   2.053 -22.194
 1035   HE22  GLN 116          HE22      GLN 116  -4.269   2.453 -23.699
 1036    H    GLN 117           H        GLN 117  -7.936  -0.155 -16.661
 1037    HA   GLN 117           HA       GLN 117 -10.701   0.311 -16.936
 1038    HB2  GLN 117           HB2      GLN 117 -10.876  -0.678 -14.689
 1039    HB3  GLN 117           HB3      GLN 117  -9.888  -1.623 -15.778
 1040    HG2  GLN 117           HG2      GLN 117  -8.714   0.284 -13.693
 1041    HG3  GLN 117           HG3      GLN 117  -9.084  -1.399 -13.357
 1042   HE21  GLN 117          HE21      GLN 117  -6.441  -0.385 -13.062
 1043   HE22  GLN 117          HE22      GLN 117  -5.450  -1.116 -14.332
 1044    H    MET 118           H        MET 118  -8.372   2.408 -15.369
 1045    HA   MET 118           HA       MET 118 -10.363   3.855 -13.763
 1046    HB2  MET 118           HB2      MET 118  -7.451   4.440 -14.391
 1047    HB3  MET 118           HB3      MET 118  -8.459   5.396 -13.303
 1048    HG2  MET 118           HG2      MET 118  -7.785   2.449 -12.900
 1049    HG3  MET 118           HG3      MET 118  -6.971   3.805 -12.146
 1050    HE1  MET 118           HE1      MET 118  -9.472   1.098 -11.561
 1051    HE2  MET 118           HE2      MET 118 -10.857   1.848 -10.747
 1052    HE3  MET 118           HE3      MET 118 -10.608   2.108 -12.481
 1053    H    GLY 119           H        GLY 119 -11.270   5.809 -14.144
 1054    HA2  GLY 119           HA2      GLY 119 -10.640   7.761 -16.069
 1055    HA3  GLY 119           HA3      GLY 119 -11.768   6.654 -16.853
  Start of MODEL    4
    1    H1   MET -11           H1       MET -11   3.107   0.893  14.248
    2    H2   MET -11           H2       MET -11   2.221  -0.151  13.350
    3    H3   MET -11           H3       MET -11   3.858  -0.213  13.299
    4    HA   MET -11           HA       MET -11   3.992  -0.926  15.568
    5    HB2  MET -11           HB2      MET -11   0.952  -0.755  15.475
    6    HB3  MET -11           HB3      MET -11   1.847  -1.617  16.723
    7    HG2  MET -11           HG2      MET -11   2.019   1.356  16.137
    8    HG3  MET -11           HG3      MET -11   1.224   0.601  17.509
    9    HE1  MET -11           HE1      MET -11   4.109  -0.540  19.818
   10    HE2  MET -11           HE2      MET -11   2.367  -0.232  19.660
   11    HE3  MET -11           HE3      MET -11   3.131  -1.534  18.721
   12    HA   PRO -10           HA       PRO -10   4.260  -4.861  13.787
   13    HB2  PRO -10           HB2      PRO -10   3.821  -5.990  16.559
   14    HB3  PRO -10           HB3      PRO -10   5.081  -6.410  15.354
   15    HG2  PRO -10           HG2      PRO -10   5.697  -4.766  17.399
   16    HG3  PRO -10           HG3      PRO -10   6.233  -4.337  15.739
   17    HD2  PRO -10           HD2      PRO -10   3.829  -3.300  17.267
   18    HD3  PRO -10           HD3      PRO -10   5.057  -2.390  16.337
   19    H    ARG  -9           H        ARG  -9   1.473  -4.585  16.029
   20    HA   ARG  -9           HA       ARG  -9  -0.017  -6.792  14.997
   21    HB2  ARG  -9           HB2      ARG  -9  -1.994  -5.710  16.030
   22    HB3  ARG  -9           HB3      ARG  -9  -0.611  -5.940  17.094
   23    HG2  ARG  -9           HG2      ARG  -9  -0.018  -3.524  16.852
   24    HG3  ARG  -9           HG3      ARG  -9  -1.457  -3.289  15.838
   25    HD2  ARG  -9           HD2      ARG  -9  -2.915  -3.927  17.675
   26    HD3  ARG  -9           HD3      ARG  -9  -1.550  -4.441  18.664
   27    HE   ARG  -9           HE       ARG  -9  -2.311  -1.627  17.987
   28   HH11  ARG  -9          HH11      ARG  -9  -0.337  -3.689  20.044
   29   HH12  ARG  -9          HH12      ARG  -9   0.039  -2.363  21.108
   30   HH21  ARG  -9          HH21      ARG  -9  -1.781  -0.068  19.279
   31   HH22  ARG  -9          HH22      ARG  -9  -0.772  -0.325  20.695
   32    H    PHE  -8           H        PHE  -8   0.331  -3.575  13.609
   33    HA   PHE  -8           HA       PHE  -8  -1.675  -4.096  11.540
   34    HB2  PHE  -8           HB2      PHE  -8  -1.426  -1.832  11.841
   35    HB3  PHE  -8           HB3      PHE  -8   0.322  -1.916  11.954
   36    HD1  PHE  -8           HD2      PHE  -8   1.756  -2.203   9.948
   37    HD2  PHE  -8           HD1      PHE  -8  -2.509  -1.685   9.612
   38    HE1  PHE  -8           HE2      PHE  -8   1.999  -1.763   7.517
   39    HE2  PHE  -8           HE1      PHE  -8  -2.251  -1.203   7.191
   40    HZ   PHE  -8           HZ       PHE  -8  -0.003  -1.268   6.137
   41    H    TRP  -7           H        TRP  -7   1.851  -4.338  11.740
   42    HA   TRP  -7           HA       TRP  -7   2.236  -5.137   9.039
   43    HB2  TRP  -7           HB2      TRP  -7   3.978  -4.164  10.441
   44    HB3  TRP  -7           HB3      TRP  -7   3.981  -5.591  11.470
   45    HD1  TRP  -7           HD1      TRP  -7   5.272  -7.700  10.641
   46    HE1  TRP  -7           HE1      TRP  -7   6.779  -8.253   8.637
   47    HE3  TRP  -7           HE3      TRP  -7   4.271  -3.608   7.740
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.371  -7.126   6.045
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.290  -3.400   5.474
   50    HH2  TRP  -7           HH2      TRP  -7   6.816  -5.144   4.622
   51    H    GLU  -6           H        GLU  -6   1.562  -7.150  11.926
   52    HA   GLU  -6           HA       GLU  -6   1.924  -9.694  10.691
   53    HB2  GLU  -6           HB2      GLU  -6   0.077  -8.725  12.895
   54    HB3  GLU  -6           HB3      GLU  -6   0.123 -10.419  12.370
   55    HG2  GLU  -6           HG2      GLU  -6   2.511 -10.572  12.865
   56    HG3  GLU  -6           HG3      GLU  -6   2.565  -8.880  13.347
   57    H    TYR  -5           H        TYR  -5  -0.944  -7.534  10.553
   58    HA   TYR  -5           HA       TYR  -5  -2.415  -9.324   8.807
   59    HB2  TYR  -5           HB2      TYR  -5  -2.830  -6.472   9.641
   60    HB3  TYR  -5           HB3      TYR  -5  -3.688  -7.135   8.268
   61    HD1  TYR  -5           HD2      TYR  -5  -5.185  -9.114   8.478
   62    HD2  TYR  -5           HD1      TYR  -5  -3.549  -7.050  11.898
   63    HE1  TYR  -5           HE2      TYR  -5  -6.960 -10.092   9.921
   64    HE2  TYR  -5           HE1      TYR  -5  -5.343  -8.007  13.333
   65    HH   TYR  -5           HH       TYR  -5  -7.135  -9.439  13.439
   66    H    TRP  -4           H        TRP  -4  -0.273  -6.584   8.187
   67    HA   TRP  -4           HA       TRP  -4  -0.713  -6.519   5.337
   68    HB2  TRP  -4           HB2      TRP  -4   0.196  -4.704   6.907
   69    HB3  TRP  -4           HB3      TRP  -4   1.735  -5.571   6.879
   70    HD1  TRP  -4           HD1      TRP  -4   3.109  -5.532   4.617
   71    HE1  TRP  -4           HE1      TRP  -4   2.915  -4.205   2.421
   72    HE3  TRP  -4           HE3      TRP  -4  -1.533  -3.488   5.283
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.869  -2.805   0.980
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.637  -2.259   3.428
   75    HH2  TRP  -4           HH2      TRP  -4  -1.454  -1.912   1.271
   76    H    LEU  -3           H        LEU  -3   1.656  -8.330   7.323
   77    HA   LEU  -3           HA       LEU  -3   3.230  -9.282   5.174
   78    HB2  LEU  -3           HB2      LEU  -3   3.760  -9.304   7.648
   79    HB3  LEU  -3           HB3      LEU  -3   2.613 -10.631   7.832
   80    HG   LEU  -3           HG       LEU  -3   4.068 -11.962   6.190
   81   HD11  LEU  -3          HD11      LEU  -3   6.012  -9.669   6.749
   82   HD12  LEU  -3          HD12      LEU  -3   5.269 -10.014   5.181
   83   HD13  LEU  -3          HD13      LEU  -3   6.392 -11.181   5.890
   84   HD21  LEU  -3          HD21      LEU  -3   5.358 -10.991   8.773
   85   HD22  LEU  -3          HD22      LEU  -3   5.778 -12.476   7.887
   86   HD23  LEU  -3          HD23      LEU  -3   4.177 -12.309   8.623
   87    H    ARG  -2           H        ARG  -2   0.104 -10.423   6.382
   88    HA   ARG  -2           HA       ARG  -2   0.068 -12.971   5.065
   89    HB2  ARG  -2           HB2      ARG  -2  -1.395 -12.461   6.936
   90    HB3  ARG  -2           HB3      ARG  -2  -2.157 -11.164   6.035
   91    HG2  ARG  -2           HG2      ARG  -2  -3.614 -13.101   6.096
   92    HG3  ARG  -2           HG3      ARG  -2  -3.126 -12.757   4.440
   93    HD2  ARG  -2           HD2      ARG  -2  -3.079 -15.134   4.770
   94    HD3  ARG  -2           HD3      ARG  -2  -1.417 -14.574   4.594
   95    HE   ARG  -2           HE       ARG  -2  -2.626 -14.989   7.323
   96   HH11  ARG  -2          HH11      ARG  -2  -0.112 -16.018   5.098
   97   HH12  ARG  -2          HH12      ARG  -2   0.727 -16.875   6.366
   98   HH21  ARG  -2          HH21      ARG  -2  -1.654 -16.064   8.741
   99   HH22  ARG  -2          HH22      ARG  -2  -0.138 -16.923   8.447
  100    H    LEU  -1           H        LEU  -1  -0.608  -9.721   3.895
  101    HA   LEU  -1           HA       LEU  -1  -1.845 -10.416   1.407
  102    HB2  LEU  -1           HB2      LEU  -1  -0.054  -8.095   2.183
  103    HB3  LEU  -1           HB3      LEU  -1  -0.798  -8.222   0.616
  104    HG   LEU  -1           HG       LEU  -1  -2.404  -8.103   3.195
  105   HD11  LEU  -1          HD11      LEU  -1  -1.062  -6.066   2.823
  106   HD12  LEU  -1          HD12      LEU  -1  -2.779  -5.742   2.517
  107   HD13  LEU  -1          HD13      LEU  -1  -1.654  -5.966   1.157
  108   HD21  LEU  -1          HD21      LEU  -1  -4.253  -7.534   1.671
  109   HD22  LEU  -1          HD22      LEU  -1  -3.593  -9.115   1.201
  110   HD23  LEU  -1          HD23      LEU  -1  -3.182  -7.676   0.266
  111    H    MET   0           H        MET   0   1.638  -9.685   2.079
  112    HA   MET   0           HA       MET   0   2.378 -10.452  -0.578
  113    HB2  MET   0           HB2      MET   0   4.662 -10.138   0.089
  114    HB3  MET   0           HB3      MET   0   3.672  -8.825   0.722
  115    HG2  MET   0           HG2      MET   0   3.751  -9.769   2.963
  116    HG3  MET   0           HG3      MET   0   4.517 -11.242   2.371
  117    HE1  MET   0           HE1      MET   0   4.927  -7.569   3.382
  118    HE2  MET   0           HE2      MET   0   6.593  -7.172   2.912
  119    HE3  MET   0           HE3      MET   0   5.354  -7.373   1.653
  120    H    GLU   1           H        GLU   1   2.217 -12.309   2.443
  121    HA   GLU   1           HA       GLU   1   3.697 -14.588   1.503
  122    HB2  GLU   1           HB2      GLU   1   3.381 -14.039   3.884
  123    HB3  GLU   1           HB3      GLU   1   1.642 -14.246   3.714
  124    HG2  GLU   1           HG2      GLU   1   2.545 -16.150   4.823
  125    HG3  GLU   1           HG3      GLU   1   1.932 -16.648   3.257
  126    H    GLY   2           H        GLY   2   0.207 -13.784   1.393
  127    HA2  GLY   2           HA2      GLY   2  -0.588 -16.335   0.201
  128    HA3  GLY   2           HA3      GLY   2  -1.561 -14.871   0.364
  129    H    GLY   3           H        GLY   3  -0.347 -12.972  -1.033
  130    HA2  GLY   3           HA2      GLY   3  -0.066 -12.089  -3.124
  131    HA3  GLY   3           HA3      GLY   3   0.435 -13.662  -3.733
  132    H    GLY   4           H        GLY   4  -1.086 -11.870  -5.215
  133    HA2  GLY   4           HA2      GLY   4  -3.897 -12.515  -5.322
  134    HA3  GLY   4           HA3      GLY   4  -2.937 -11.783  -6.607
  135    H    GLU   5           H        GLU   5  -4.919 -13.599  -7.142
  136    HA   GLU   5           HA       GLU   5  -5.545 -15.411  -8.269
  137    HB2  GLU   5           HB2      GLU   5  -3.833 -14.676  -9.857
  138    HB3  GLU   5           HB3      GLU   5  -2.627 -15.647  -9.031
  139    HG2  GLU   5           HG2      GLU   5  -3.229 -16.801 -10.987
  140    HG3  GLU   5           HG3      GLU   5  -3.844 -17.723  -9.629
  141    H    ASN   6           H        ASN   6  -2.859 -16.182  -6.092
  142    HA   ASN   6           HA       ASN   6  -3.467 -18.960  -5.683
  143    HB2  ASN   6           HB2      ASN   6  -1.341 -18.095  -5.012
  144    HB3  ASN   6           HB3      ASN   6  -2.075 -16.793  -4.076
  145   HD21  ASN   6          HD21      ASN   6  -1.322 -20.273  -4.049
  146   HD22  ASN   6          HD22      ASN   6  -1.723 -20.459  -2.346
  147    H    LEU   7           H        LEU   7  -4.758 -16.006  -4.131
  148    HA   LEU   7           HA       LEU   7  -6.599 -17.441  -2.384
  149    HB2  LEU   7           HB2      LEU   7  -5.636 -15.163  -1.997
  150    HB3  LEU   7           HB3      LEU   7  -6.657 -14.532  -3.284
  151    HG   LEU   7           HG       LEU   7  -7.703 -15.939  -0.782
  152   HD11  LEU   7          HD11      LEU   7  -8.226 -13.675   0.061
  153   HD12  LEU   7          HD12      LEU   7  -7.412 -12.964  -1.353
  154   HD13  LEU   7          HD13      LEU   7  -6.493 -13.911  -0.156
  155   HD21  LEU   7          HD21      LEU   7  -9.074 -14.292  -2.943
  156   HD22  LEU   7          HD22      LEU   7  -9.818 -14.636  -1.364
  157   HD23  LEU   7          HD23      LEU   7  -9.438 -15.961  -2.446
  158    H    TYR   8           H        TYR   8  -8.320 -18.549  -3.097
  159    HA   TYR   8           HA       TYR   8  -9.049 -18.657  -5.766
  160    HB2  TYR   8           HB2      TYR   8 -10.411 -19.732  -3.322
  161    HB3  TYR   8           HB3      TYR   8 -11.091 -19.946  -4.919
  162    HD1  TYR   8           HD2      TYR   8  -9.458 -20.871  -6.802
  163    HD2  TYR   8           HD1      TYR   8  -8.946 -21.429  -2.550
  164    HE1  TYR   8           HE2      TYR   8  -8.042 -22.876  -7.229
  165    HE2  TYR   8           HE1      TYR   8  -7.564 -23.449  -2.984
  166    HH   TYR   8           HH       TYR   8  -6.535 -24.745  -4.570
  167    H    PHE   9           H        PHE   9 -10.135 -17.548  -7.162
  168    HA   PHE   9           HA       PHE   9 -11.718 -15.299  -6.503
  169    HB2  PHE   9           HB2      PHE   9 -12.363 -15.381  -8.972
  170    HB3  PHE   9           HB3      PHE   9 -10.682 -15.157  -8.527
  171    HD1  PHE   9           HD1      PHE   9 -13.130 -17.701  -9.756
  172    HD2  PHE   9           HD2      PHE   9  -8.965 -16.701  -9.204
  173    HE1  PHE   9           HE1      PHE   9 -12.472 -19.688 -11.091
  174    HE2  PHE   9           HE2      PHE   9  -8.317 -18.687 -10.543
  175    HZ   PHE   9           HZ       PHE   9 -10.066 -20.186 -11.483
  176    H    GLN  10           H        GLN  10 -12.777 -18.582  -6.965
  177    HA   GLN  10           HA       GLN  10 -15.572 -18.010  -7.292
  178    HB2  GLN  10           HB2      GLN  10 -15.889 -20.395  -6.934
  179    HB3  GLN  10           HB3      GLN  10 -14.584 -20.080  -8.076
  180    HG2  GLN  10           HG2      GLN  10 -12.894 -20.587  -6.371
  181    HG3  GLN  10           HG3      GLN  10 -14.141 -20.767  -5.133
  182   HE21  GLN  10          HE21      GLN  10 -12.572 -22.879  -5.205
  183   HE22  GLN  10          HE22      GLN  10 -13.307 -24.207  -6.093
  184    H    GLY  11           H        GLY  11 -13.675 -17.666  -4.473
  185    HA2  GLY  11           HA2      GLY  11 -15.595 -18.396  -2.445
  186    HA3  GLY  11           HA3      GLY  11 -14.216 -17.317  -2.251
  187    H    MET  12           H        MET  12 -17.410 -17.380  -1.864
  188    HA   MET  12           HA       MET  12 -18.250 -14.845  -2.999
  189    HB2  MET  12           HB2      MET  12 -20.314 -15.215  -1.675
  190    HB3  MET  12           HB3      MET  12 -19.873 -16.534  -2.739
  191    HG2  MET  12           HG2      MET  12 -20.692 -17.476  -0.722
  192    HG3  MET  12           HG3      MET  12 -18.983 -17.833  -0.840
  193    HE1  MET  12           HE1      MET  12 -21.827 -15.913   1.023
  194    HE2  MET  12           HE2      MET  12 -20.945 -14.924   2.207
  195    HE3  MET  12           HE3      MET  12 -20.866 -14.516   0.483
  196    H    SER  13           H        SER  13 -16.319 -15.496  -0.336
  197    HA   SER  13           HA       SER  13 -16.173 -12.683   0.383
  198    HB2  SER  13           HB2      SER  13 -17.138 -14.754   2.384
  199    HB3  SER  13           HB3      SER  13 -16.220 -13.328   2.899
  200    HG   SER  13           HG       SER  13 -18.534 -13.157   1.263
  201    H    VAL  14           H        VAL  14 -14.324 -12.289   1.869
  202    HA   VAL  14           HA       VAL  14 -11.996 -13.593   0.933
  203    HB   VAL  14           HB       VAL  14 -12.142 -11.895   3.427
  204   HG11  VAL  14          HG11      VAL  14  -9.922 -12.317   1.365
  205   HG12  VAL  14          HG12      VAL  14  -9.847 -11.243   2.776
  206   HG13  VAL  14          HG13      VAL  14  -9.941 -12.984   3.015
  207   HG21  VAL  14          HG21      VAL  14 -12.023 -11.041   0.515
  208   HG22  VAL  14          HG22      VAL  14 -13.255 -10.598   1.718
  209   HG23  VAL  14          HG23      VAL  14 -11.617  -9.973   1.876
  210    HA   PRO  15           HA       PRO  15 -11.931 -17.120   3.738
  211    HB2  PRO  15           HB2      PRO  15  -9.432 -18.120   3.213
  212    HB3  PRO  15           HB3      PRO  15 -10.807 -18.257   2.075
  213    HG2  PRO  15           HG2      PRO  15  -8.600 -16.168   2.082
  214    HG3  PRO  15           HG3      PRO  15  -9.177 -17.170   0.707
  215    HD2  PRO  15           HD2      PRO  15 -10.073 -14.639   1.083
  216    HD3  PRO  15           HD3      PRO  15 -11.182 -15.925   0.524
  217    H    THR  16           H        THR  16 -10.729 -17.941   5.592
  218    HA   THR  16           HA       THR  16  -9.894 -15.870   7.369
  219    HB   THR  16           HB       THR  16 -11.133 -17.991   7.959
  220    HG1  THR  16           HG1      THR  16 -10.310 -17.842  10.023
  221   HG21  THR  16          HG21      THR  16  -9.420 -19.617   7.069
  222   HG22  THR  16          HG22      THR  16  -9.830 -19.865   8.774
  223   HG23  THR  16          HG23      THR  16  -8.300 -19.075   8.339
  224    H    ASP  17           H        ASP  17  -7.993 -15.992   8.807
  225    HA   ASP  17           HA       ASP  17  -5.628 -15.439   7.315
  226    HB2  ASP  17           HB2      ASP  17  -5.968 -14.194   9.241
  227    HB3  ASP  17           HB3      ASP  17  -6.290 -15.616  10.229
  228    H    GLY  18           H        GLY  18  -4.375 -16.829   6.270
  229    HA2  GLY  18           HA2      GLY  18  -2.748 -18.770   7.492
  230    HA3  GLY  18           HA3      GLY  18  -4.153 -19.620   6.849
  231    H    ALA  19           H        ALA  19  -2.048 -20.528   5.782
  232    HA   ALA  19           HA       ALA  19  -1.987 -19.560   2.994
  233    HB1  ALA  19           HB1      ALA  19  -0.166 -18.320   4.081
  234    HB2  ALA  19           HB2      ALA  19   0.532 -19.839   4.692
  235    HB3  ALA  19           HB3      ALA  19   0.483 -19.509   2.945
  236    H    VAL  20           H        VAL  20  -3.333 -21.750   3.873
  237    HA   VAL  20           HA       VAL  20  -1.900 -24.186   3.986
  238    HB   VAL  20           HB       VAL  20  -4.757 -24.004   3.023
  239   HG11  VAL  20          HG11      VAL  20  -3.252 -26.073   4.689
  240   HG12  VAL  20          HG12      VAL  20  -4.975 -26.136   4.268
  241   HG13  VAL  20          HG13      VAL  20  -3.768 -26.264   2.996
  242   HG21  VAL  20          HG21      VAL  20  -4.699 -22.591   5.009
  243   HG22  VAL  20          HG22      VAL  20  -5.438 -24.134   5.419
  244   HG23  VAL  20          HG23      VAL  20  -3.756 -23.816   5.894
  245    H    THR  21           H        THR  21  -1.259 -25.721   2.546
  246    HA   THR  21           HA       THR  21  -0.527 -24.862  -0.003
  247    HB   THR  21           HB       THR  21   0.560 -26.821  -0.380
  248    HG1  THR  21           HG1      THR  21  -0.028 -28.781   0.536
  249   HG21  THR  21          HG21      THR  21   1.662 -27.490   1.652
  250   HG22  THR  21          HG22      THR  21   0.319 -26.927   2.662
  251   HG23  THR  21          HG23      THR  21   1.330 -25.756   1.778
  252    H    THR  22           H        THR  22  -3.553 -26.385   0.762
  253    HA   THR  22           HA       THR  22  -4.373 -27.168  -1.785
  254    HB   THR  22           HB       THR  22  -6.407 -25.885  -0.037
  255    HG1  THR  22           HG1      THR  22  -6.349 -27.643   1.359
  256   HG21  THR  22          HG21      THR  22  -6.239 -28.608  -1.401
  257   HG22  THR  22          HG22      THR  22  -7.104 -27.187  -2.025
  258   HG23  THR  22          HG23      THR  22  -7.647 -27.959  -0.529
  259    H    SER  23           H        SER  23  -3.846 -23.935  -0.769
  260    HA   SER  23           HA       SER  23  -5.409 -22.560  -2.783
  261    HB2  SER  23           HB2      SER  23  -4.066 -20.639  -2.165
  262    HB3  SER  23           HB3      SER  23  -4.618 -21.488  -0.719
  263    HG   SER  23           HG       SER  23  -2.608 -22.244  -0.346
  264    H    GLN  24           H        GLN  24  -2.523 -24.384  -2.986
  265    HA   GLN  24           HA       GLN  24  -1.019 -24.882  -4.462
  266    HB2  GLN  24           HB2      GLN  24  -2.759 -25.488  -5.919
  267    HB3  GLN  24           HB3      GLN  24  -3.040 -23.829  -6.421
  268    HG2  GLN  24           HG2      GLN  24  -1.997 -25.005  -8.205
  269    HG3  GLN  24           HG3      GLN  24  -0.891 -23.777  -7.629
  270   HE21  GLN  24          HE21      GLN  24   0.013 -25.901  -9.235
  271   HE22  GLN  24          HE22      GLN  24   1.009 -26.960  -8.243
  272    H    ILE  25           H        ILE  25   0.922 -24.312  -5.002
  273    HA   ILE  25           HA       ILE  25   1.661 -21.472  -4.885
  274    HB   ILE  25           HB       ILE  25   4.056 -22.543  -5.128
  275   HG12  ILE  25          HG12      ILE  25   4.269 -24.721  -3.999
  276   HG13  ILE  25          HG13      ILE  25   2.532 -24.982  -4.076
  277   HG21  ILE  25          HG21      ILE  25   4.101 -22.772  -2.679
  278   HG22  ILE  25          HG22      ILE  25   3.143 -21.370  -3.168
  279   HG23  ILE  25          HG23      ILE  25   2.326 -22.859  -2.641
  280   HD11  ILE  25          HD11      ILE  25   2.651 -25.091  -6.539
  281   HD12  ILE  25          HD12      ILE  25   4.375 -24.653  -6.493
  282   HD13  ILE  25          HD13      ILE  25   3.824 -26.204  -5.829
  283    HA   PRO  26           HA       PRO  26   2.390 -20.962  -9.271
  284    HB2  PRO  26           HB2      PRO  26   4.290 -19.022  -9.361
  285    HB3  PRO  26           HB3      PRO  26   2.640 -18.718  -8.755
  286    HG2  PRO  26           HG2      PRO  26   5.121 -19.334  -7.114
  287    HG3  PRO  26           HG3      PRO  26   3.956 -17.989  -6.895
  288    HD2  PRO  26           HD2      PRO  26   3.777 -20.307  -5.475
  289    HD3  PRO  26           HD3      PRO  26   2.318 -19.425  -6.007
  290    H    ALA  27           H        ALA  27   3.110 -23.234  -9.235
  291    HA   ALA  27           HA       ALA  27   5.645 -24.162  -8.652
  292    HB1  ALA  27           HB1      ALA  27   5.014 -26.153  -9.959
  293    HB2  ALA  27           HB2      ALA  27   3.656 -25.571  -8.976
  294    HB3  ALA  27           HB3      ALA  27   3.693 -25.245 -10.724
  295    H    SER  28           H        SER  28   7.576 -24.214  -9.529
  296    HA   SER  28           HA       SER  28   9.376 -23.763 -10.777
  297    HB2  SER  28           HB2      SER  28   7.575 -24.608 -13.064
  298    HB3  SER  28           HB3      SER  28   9.333 -24.436 -13.171
  299    HG   SER  28           HG       SER  28   9.613 -26.070 -11.702
  300    H    GLU  29           H        GLU  29   7.157 -21.459 -10.686
  301    HA   GLU  29           HA       GLU  29   8.256 -19.743 -12.841
  302    HB2  GLU  29           HB2      GLU  29   5.844 -19.891 -12.549
  303    HB3  GLU  29           HB3      GLU  29   5.985 -19.292 -10.888
  304    HG2  GLU  29           HG2      GLU  29   6.836 -17.149 -11.675
  305    HG3  GLU  29           HG3      GLU  29   6.905 -17.741 -13.338
  306    H    GLN  30           H        GLN  30   9.699 -18.157 -12.525
  307    HA   GLN  30           HA       GLN  30  11.038 -17.855  -9.959
  308    HB2  GLN  30           HB2      GLN  30  12.529 -16.375 -11.163
  309    HB3  GLN  30           HB3      GLN  30  12.297 -17.866 -12.061
  310    HG2  GLN  30           HG2      GLN  30  10.979 -16.802 -13.739
  311    HG3  GLN  30           HG3      GLN  30  10.651 -15.394 -12.732
  312   HE21  GLN  30          HE21      GLN  30  12.459 -13.869 -12.257
  313   HE22  GLN  30          HE22      GLN  30  13.816 -13.813 -13.384
  314    H    GLU  31           H        GLU  31  11.608 -15.655  -9.107
  315    HA   GLU  31           HA       GLU  31   9.285 -13.936  -8.653
  316    HB2  GLU  31           HB2      GLU  31  12.246 -13.536  -8.058
  317    HB3  GLU  31           HB3      GLU  31  10.944 -12.435  -7.569
  318    HG2  GLU  31           HG2      GLU  31   9.877 -14.274  -6.279
  319    HG3  GLU  31           HG3      GLU  31  11.210 -15.350  -6.711
  320    H    THR  32           H        THR  32   8.724 -12.083  -9.733
  321    HA   THR  32           HA       THR  32  10.428 -11.137 -11.940
  322    HB   THR  32           HB       THR  32   7.548 -11.567 -12.585
  323    HG1  THR  32           HG1      THR  32   8.304 -13.591 -11.973
  324   HG21  THR  32          HG21      THR  32  10.103 -11.481 -14.250
  325   HG22  THR  32          HG22      THR  32   8.833 -10.233 -14.182
  326   HG23  THR  32          HG23      THR  32   8.476 -11.813 -14.882
  327    H    LEU  33           H        LEU  33  10.300  -9.106 -12.667
  328    HA   LEU  33           HA       LEU  33   9.242  -7.112 -10.831
  329    HB2  LEU  33           HB2      LEU  33  10.533  -6.857 -13.577
  330    HB3  LEU  33           HB3      LEU  33  10.204  -5.519 -12.488
  331    HG   LEU  33           HG       LEU  33  12.142  -7.795 -11.880
  332   HD11  LEU  33          HD11      LEU  33  12.605  -4.934 -12.837
  333   HD12  LEU  33          HD12      LEU  33  12.918  -6.420 -13.747
  334   HD13  LEU  33          HD13      LEU  33  13.875  -6.061 -12.301
  335   HD21  LEU  33          HD21      LEU  33  12.931  -6.325 -10.074
  336   HD22  LEU  33          HD22      LEU  33  11.233  -6.736  -9.825
  337   HD23  LEU  33          HD23      LEU  33  11.668  -5.134 -10.468
  338    H    VAL  34           H        VAL  34   7.819  -5.510 -11.238
  339    HA   VAL  34           HA       VAL  34   6.163  -5.512 -13.678
  340    HB   VAL  34           HB       VAL  34   4.169  -5.126 -12.669
  341   HG11  VAL  34          HG11      VAL  34   5.467  -6.935 -10.621
  342   HG12  VAL  34          HG12      VAL  34   3.750  -6.872 -11.085
  343   HG13  VAL  34          HG13      VAL  34   4.958  -7.441 -12.259
  344   HG21  VAL  34          HG21      VAL  34   4.634  -3.363 -11.082
  345   HG22  VAL  34          HG22      VAL  34   3.792  -4.669 -10.252
  346   HG23  VAL  34          HG23      VAL  34   5.528  -4.472 -10.026
  347    H    ARG  35           H        ARG  35   5.176  -3.445 -14.158
  348    HA   ARG  35           HA       ARG  35   6.903  -1.166 -13.312
  349    HB2  ARG  35           HB2      ARG  35   7.079  -1.585 -15.668
  350    HB3  ARG  35           HB3      ARG  35   5.328  -1.569 -15.862
  351    HG2  ARG  35           HG2      ARG  35   6.352   0.495 -16.676
  352    HG3  ARG  35           HG3      ARG  35   5.234   0.823 -15.357
  353    HD2  ARG  35           HD2      ARG  35   7.131   1.073 -13.786
  354    HD3  ARG  35           HD3      ARG  35   8.270   0.685 -15.094
  355    HE   ARG  35           HE       ARG  35   6.677   2.821 -16.003
  356   HH11  ARG  35          HH11      ARG  35   9.059   2.402 -13.430
  357   HH12  ARG  35          HH12      ARG  35   9.446   4.100 -13.446
  358   HH21  ARG  35          HH21      ARG  35   7.261   4.946 -15.942
  359   HH22  ARG  35          HH22      ARG  35   8.474   5.489 -14.824
  360    HA   PRO  36           HA       PRO  36   2.941  -0.076 -11.248
  361    HB2  PRO  36           HB2      PRO  36   4.074   1.443  -9.247
  362    HB3  PRO  36           HB3      PRO  36   3.873  -0.335  -9.158
  363    HG2  PRO  36           HG2      PRO  36   6.342   1.229  -9.925
  364    HG3  PRO  36           HG3      PRO  36   6.194  -0.175  -8.812
  365    HD2  PRO  36           HD2      PRO  36   7.006  -0.435 -11.391
  366    HD3  PRO  36           HD3      PRO  36   6.012  -1.694 -10.597
  367    H    LYS  37           H        LYS  37   1.852   1.942 -11.236
  368    HA   LYS  37           HA       LYS  37   2.519   3.926 -13.148
  369    HB2  LYS  37           HB2      LYS  37   0.735   4.035 -10.675
  370    HB3  LYS  37           HB3      LYS  37   0.874   5.379 -11.812
  371    HG2  LYS  37           HG2      LYS  37   0.201   3.786 -13.670
  372    HG3  LYS  37           HG3      LYS  37  -0.198   2.603 -12.428
  373    HD2  LYS  37           HD2      LYS  37  -1.440   5.360 -12.805
  374    HD3  LYS  37           HD3      LYS  37  -2.187   3.800 -13.165
  375    HE2  LYS  37           HE2      LYS  37  -2.063   3.217 -10.719
  376    HE3  LYS  37           HE3      LYS  37  -1.420   4.831 -10.393
  377    HZ1  LYS  37           HZ1      LYS  37  -3.831   4.754 -10.066
  378    HZ2  LYS  37           HZ2      LYS  37  -4.080   4.266 -11.602
  379    HZ3  LYS  37           HZ3      LYS  37  -3.489   5.759 -11.306
  380    HA   PRO  38           HA       PRO  38   5.644   6.467 -11.287
  381    HB2  PRO  38           HB2      PRO  38   4.946   9.020 -12.090
  382    HB3  PRO  38           HB3      PRO  38   5.719   7.796 -13.138
  383    HG2  PRO  38           HG2      PRO  38   2.766   8.454 -12.913
  384    HG3  PRO  38           HG3      PRO  38   3.753   8.270 -14.399
  385    HD2  PRO  38           HD2      PRO  38   2.229   6.237 -13.502
  386    HD3  PRO  38           HD3      PRO  38   3.868   5.909 -14.137
  387    H    LEU  39           H        LEU  39   2.248   7.449 -10.759
  388    HA   LEU  39           HA       LEU  39   2.607   8.997  -8.408
  389    HB2  LEU  39           HB2      LEU  39   0.553   8.854  -9.854
  390    HB3  LEU  39           HB3      LEU  39   0.273   7.225  -9.246
  391    HG   LEU  39           HG       LEU  39   0.057   8.212  -6.907
  392   HD11  LEU  39          HD11      LEU  39   1.230  10.353  -7.253
  393   HD12  LEU  39          HD12      LEU  39  -0.453  10.657  -6.800
  394   HD13  LEU  39          HD13      LEU  39   0.047  10.826  -8.495
  395   HD21  LEU  39          HD21      LEU  39  -2.207   9.058  -7.279
  396   HD22  LEU  39          HD22      LEU  39  -1.908   7.643  -8.299
  397   HD23  LEU  39          HD23      LEU  39  -1.872   9.269  -9.013
  398    H    LEU  40           H        LEU  40   2.229   5.464  -8.812
  399    HA   LEU  40           HA       LEU  40   2.230   4.904  -5.956
  400    HB2  LEU  40           HB2      LEU  40   1.085   3.425  -7.564
  401    HB3  LEU  40           HB3      LEU  40   2.596   3.126  -8.401
  402    HG   LEU  40           HG       LEU  40   3.527   1.961  -6.447
  403   HD11  LEU  40          HD11      LEU  40   2.032   1.424  -4.507
  404   HD12  LEU  40          HD12      LEU  40   0.825   2.555  -5.162
  405   HD13  LEU  40          HD13      LEU  40   2.398   3.151  -4.597
  406   HD21  LEU  40          HD21      LEU  40   0.727   0.908  -6.914
  407   HD22  LEU  40          HD22      LEU  40   2.196  -0.006  -6.573
  408   HD23  LEU  40          HD23      LEU  40   1.994   0.787  -8.144
  409    H    LEU  41           H        LEU  41   4.611   4.636  -8.594
  410    HA   LEU  41           HA       LEU  41   6.800   3.648  -7.126
  411    HB2  LEU  41           HB2      LEU  41   6.709   3.730  -9.540
  412    HB3  LEU  41           HB3      LEU  41   6.594   5.489  -9.530
  413    HG   LEU  41           HG       LEU  41   8.877   5.724  -8.753
  414   HD11  LEU  41          HD11      LEU  41   9.194   3.767  -7.325
  415   HD12  LEU  41          HD12      LEU  41  10.349   3.670  -8.649
  416   HD13  LEU  41          HD13      LEU  41   8.874   2.682  -8.701
  417   HD21  LEU  41          HD21      LEU  41  10.025   4.818 -10.730
  418   HD22  LEU  41          HD22      LEU  41   8.440   5.485 -11.170
  419   HD23  LEU  41          HD23      LEU  41   8.655   3.723 -11.030
  420    H    LYS  42           H        LYS  42   5.770   7.066  -7.530
  421    HA   LYS  42           HA       LYS  42   7.834   8.274  -6.011
  422    HB2  LYS  42           HB2      LYS  42   6.224   9.476  -7.435
  423    HB3  LYS  42           HB3      LYS  42   4.897   9.044  -6.353
  424    HG2  LYS  42           HG2      LYS  42   5.876  10.409  -4.544
  425    HG3  LYS  42           HG3      LYS  42   7.298  10.736  -5.544
  426    HD2  LYS  42           HD2      LYS  42   5.865  12.664  -5.582
  427    HD3  LYS  42           HD3      LYS  42   5.848  11.922  -7.190
  428    HE2  LYS  42           HE2      LYS  42   3.667  10.852  -6.676
  429    HE3  LYS  42           HE3      LYS  42   3.709  11.525  -5.041
  430    HZ1  LYS  42           HZ1      LYS  42   3.652  13.756  -6.030
  431    HZ2  LYS  42           HZ2      LYS  42   2.356  12.901  -6.524
  432    HZ3  LYS  42           HZ3      LYS  42   3.612  13.137  -7.540
  433    H    LEU  43           H        LEU  43   4.815   6.731  -4.865
  434    HA   LEU  43           HA       LEU  43   5.107   7.444  -2.089
  435    HB2  LEU  43           HB2      LEU  43   3.016   6.656  -3.108
  436    HB3  LEU  43           HB3      LEU  43   3.677   5.048  -3.319
  437    HG   LEU  43           HG       LEU  43   3.547   6.286  -0.562
  438   HD11  LEU  43          HD11      LEU  43   1.361   4.672  -1.927
  439   HD12  LEU  43          HD12      LEU  43   1.278   6.419  -1.610
  440   HD13  LEU  43          HD13      LEU  43   1.344   5.275  -0.262
  441   HD21  LEU  43          HD21      LEU  43   3.220   3.872   0.096
  442   HD22  LEU  43          HD22      LEU  43   4.781   4.150  -0.650
  443   HD23  LEU  43          HD23      LEU  43   3.474   3.401  -1.592
  444    H    LEU  44           H        LEU  44   6.233   4.557  -3.937
  445    HA   LEU  44           HA       LEU  44   7.579   3.323  -1.727
  446    HB2  LEU  44           HB2      LEU  44   8.628   3.104  -4.545
  447    HB3  LEU  44           HB3      LEU  44   8.630   1.899  -3.266
  448    HG   LEU  44           HG       LEU  44   6.253   2.820  -4.910
  449   HD11  LEU  44          HD11      LEU  44   7.840   1.410  -6.130
  450   HD12  LEU  44          HD12      LEU  44   6.294   0.589  -5.864
  451   HD13  LEU  44          HD13      LEU  44   7.712   0.164  -4.872
  452   HD21  LEU  44          HD21      LEU  44   6.254   0.519  -2.941
  453   HD22  LEU  44          HD22      LEU  44   4.886   1.185  -3.843
  454   HD23  LEU  44          HD23      LEU  44   5.616   2.128  -2.540
  455    H    LYS  45           H        LYS  45   8.740   5.704  -4.119
  456    HA   LYS  45           HA       LYS  45  11.410   5.962  -3.091
  457    HB2  LYS  45           HB2      LYS  45   9.636   7.672  -4.828
  458    HB3  LYS  45           HB3      LYS  45  11.244   8.225  -4.343
  459    HG2  LYS  45           HG2      LYS  45  12.353   6.444  -5.384
  460    HG3  LYS  45           HG3      LYS  45  10.879   5.463  -5.567
  461    HD2  LYS  45           HD2      LYS  45   9.989   6.972  -7.198
  462    HD3  LYS  45           HD3      LYS  45  11.341   8.124  -6.942
  463    HE2  LYS  45           HE2      LYS  45  12.881   6.179  -7.606
  464    HE3  LYS  45           HE3      LYS  45  11.415   5.337  -8.127
  465    HZ1  LYS  45           HZ1      LYS  45  12.468   6.524  -9.981
  466    HZ2  LYS  45           HZ2      LYS  45  12.383   7.945  -9.190
  467    HZ3  LYS  45           HZ3      LYS  45  11.011   7.209  -9.682
  468    H    SER  46           H        SER  46   8.434   7.527  -1.952
  469    HA   SER  46           HA       SER  46   9.742   9.462  -0.297
  470    HB2  SER  46           HB2      SER  46   7.693   9.811   0.753
  471    HB3  SER  46           HB3      SER  46   7.266   9.349  -0.897
  472    HG   SER  46           HG       SER  46   6.836   7.222  -0.093
  473    H    VAL  47           H        VAL  47   9.280   6.002   0.160
  474    HA   VAL  47           HA       VAL  47  10.693   6.139   2.781
  475    HB   VAL  47           HB       VAL  47  10.017   3.878   3.212
  476   HG11  VAL  47          HG11      VAL  47   7.614   5.553   2.401
  477   HG12  VAL  47          HG12      VAL  47   7.664   4.240   3.599
  478   HG13  VAL  47          HG13      VAL  47   8.542   5.748   3.902
  479   HG21  VAL  47          HG21      VAL  47   8.479   2.631   1.853
  480   HG22  VAL  47          HG22      VAL  47   8.329   3.954   0.683
  481   HG23  VAL  47          HG23      VAL  47   9.860   3.071   0.832
  482    H    GLY  48           H        GLY  48  11.760   6.341  -0.134
  483    HA2  GLY  48           HA2      GLY  48  13.976   6.292  -0.698
  484    HA3  GLY  48           HA3      GLY  48  14.324   5.228   0.656
  485    H    ALA  49           H        ALA  49  11.967   4.342  -1.952
  486    HA   ALA  49           HA       ALA  49  13.485   1.929  -2.499
  487    HB1  ALA  49           HB1      ALA  49  10.973   2.221  -2.439
  488    HB2  ALA  49           HB2      ALA  49  11.109   3.077  -3.998
  489    HB3  ALA  49           HB3      ALA  49  11.601   1.369  -3.830
  490    H    GLN  50           H        GLN  50  15.174   1.758  -3.902
  491    HA   GLN  50           HA       GLN  50  16.148   4.147  -5.169
  492    HB2  GLN  50           HB2      GLN  50  17.561   2.622  -3.913
  493    HB3  GLN  50           HB3      GLN  50  17.204   1.310  -5.032
  494    HG2  GLN  50           HG2      GLN  50  19.421   2.126  -5.449
  495    HG3  GLN  50           HG3      GLN  50  18.424   2.499  -6.843
  496   HE21  GLN  50          HE21      GLN  50  17.674   4.827  -7.061
  497   HE22  GLN  50          HE22      GLN  50  18.645   6.086  -6.289
  498    H    LYS  51           H        LYS  51  14.751   1.222  -6.575
  499    HA   LYS  51           HA       LYS  51  15.602   1.951  -9.326
  500    HB2  LYS  51           HB2      LYS  51  14.847  -0.377  -9.884
  501    HB3  LYS  51           HB3      LYS  51  16.198  -0.220  -8.768
  502    HG2  LYS  51           HG2      LYS  51  14.503  -0.653  -6.878
  503    HG3  LYS  51           HG3      LYS  51  13.372  -1.097  -8.172
  504    HD2  LYS  51           HD2      LYS  51  15.134  -2.774  -8.971
  505    HD3  LYS  51           HD3      LYS  51  16.106  -2.318  -7.566
  506    HE2  LYS  51           HE2      LYS  51  15.028  -4.253  -6.825
  507    HE3  LYS  51           HE3      LYS  51  14.054  -2.952  -6.130
  508    HZ1  LYS  51           HZ1      LYS  51  13.424  -4.555  -8.541
  509    HZ2  LYS  51           HZ2      LYS  51  12.568  -3.231  -8.127
  510    HZ3  LYS  51           HZ3      LYS  51  12.588  -4.551  -7.132
  511    H    ASP  52           H        ASP  52  13.848   1.005 -10.984
  512    HA   ASP  52           HA       ASP  52  11.443   2.732 -10.641
  513    HB2  ASP  52           HB2      ASP  52  11.591   3.106 -13.080
  514    HB3  ASP  52           HB3      ASP  52  12.968   3.702 -12.170
  515    H    THR  53           H        THR  53  12.084  -0.426 -10.601
  516    HA   THR  53           HA       THR  53   9.462  -1.345 -11.693
  517    HB   THR  53           HB       THR  53  10.938  -3.388 -12.489
  518    HG1  THR  53           HG1      THR  53  12.776  -1.273 -12.931
  519   HG21  THR  53          HG21      THR  53  10.860  -0.889 -14.202
  520   HG22  THR  53          HG22      THR  53   9.561  -2.096 -14.029
  521   HG23  THR  53          HG23      THR  53  11.110  -2.571 -14.749
  522    H    TYR  54           H        TYR  54   8.741  -3.098 -10.456
  523    HA   TYR  54           HA       TYR  54  10.437  -4.128  -8.255
  524    HB2  TYR  54           HB2      TYR  54   7.985  -2.403  -7.851
  525    HB3  TYR  54           HB3      TYR  54   8.680  -3.414  -6.597
  526    HD1  TYR  54           HD1      TYR  54  11.006  -2.967  -5.718
  527    HD2  TYR  54           HD2      TYR  54   9.021  -0.281  -8.449
  528    HE1  TYR  54           HE1      TYR  54  12.585  -1.147  -5.087
  529    HE2  TYR  54           HE2      TYR  54  10.606   1.531  -7.791
  530    HH   TYR  54           HH       TYR  54  12.502   2.012  -6.727
  531    H    THR  55           H        THR  55   9.644  -5.942  -7.074
  532    HA   THR  55           HA       THR  55   7.606  -7.515  -8.504
  533    HB   THR  55           HB       THR  55   8.033  -9.346  -7.282
  534    HG1  THR  55           HG1      THR  55   9.042  -9.285  -5.239
  535   HG21  THR  55          HG21      THR  55  10.724  -7.950  -7.004
  536   HG22  THR  55          HG22      THR  55  10.115  -8.687  -8.502
  537   HG23  THR  55          HG23      THR  55  10.410  -9.694  -7.076
  538    H    MET  56           H        MET  56   5.600  -8.385  -7.471
  539    HA   MET  56           HA       MET  56   4.057  -6.358  -6.199
  540    HB2  MET  56           HB2      MET  56   3.720  -9.344  -6.527
  541    HB3  MET  56           HB3      MET  56   2.616  -8.449  -5.476
  542    HG2  MET  56           HG2      MET  56   3.175  -7.649  -8.350
  543    HG3  MET  56           HG3      MET  56   1.838  -8.693  -7.859
  544    HE1  MET  56           HE1      MET  56   1.809  -5.863  -9.489
  545    HE2  MET  56           HE2      MET  56   0.362  -6.876  -9.282
  546    HE3  MET  56           HE3      MET  56   0.306  -5.146  -8.865
  547    H    LYS  57           H        LYS  57   6.033  -8.928  -4.700
  548    HA   LYS  57           HA       LYS  57   5.245  -8.284  -1.975
  549    HB2  LYS  57           HB2      LYS  57   6.098 -10.453  -2.378
  550    HB3  LYS  57           HB3      LYS  57   7.572  -9.843  -3.145
  551    HG2  LYS  57           HG2      LYS  57   8.511  -9.121  -1.110
  552    HG3  LYS  57           HG3      LYS  57   6.954  -9.128  -0.264
  553    HD2  LYS  57           HD2      LYS  57   6.870 -11.503  -0.177
  554    HD3  LYS  57           HD3      LYS  57   8.256 -11.673  -1.287
  555    HE2  LYS  57           HE2      LYS  57   9.733 -10.597   0.381
  556    HE3  LYS  57           HE3      LYS  57   8.365 -10.391   1.481
  557    HZ1  LYS  57           HZ1      LYS  57   8.162 -12.821   1.577
  558    HZ2  LYS  57           HZ2      LYS  57   9.660 -12.368   2.038
  559    HZ3  LYS  57           HZ3      LYS  57   9.426 -13.010   0.557
  560    H    GLU  58           H        GLU  58   7.899  -7.085  -4.073
  561    HA   GLU  58           HA       GLU  58   9.098  -5.429  -2.032
  562    HB2  GLU  58           HB2      GLU  58   9.075  -5.247  -5.054
  563    HB3  GLU  58           HB3      GLU  58   9.969  -4.128  -4.018
  564    HG2  GLU  58           HG2      GLU  58  11.309  -5.919  -3.089
  565    HG3  GLU  58           HG3      GLU  58  10.392  -7.138  -3.975
  566    H    VAL  59           H        VAL  59   6.578  -4.660  -4.497
  567    HA   VAL  59           HA       VAL  59   6.181  -1.936  -3.687
  568    HB   VAL  59           HB       VAL  59   4.175  -3.856  -4.935
  569   HG11  VAL  59          HG11      VAL  59   3.119  -1.803  -3.925
  570   HG12  VAL  59          HG12      VAL  59   4.159  -0.810  -4.955
  571   HG13  VAL  59          HG13      VAL  59   2.963  -1.915  -5.677
  572   HG21  VAL  59          HG21      VAL  59   4.763  -2.750  -7.070
  573   HG22  VAL  59          HG22      VAL  59   5.992  -1.772  -6.240
  574   HG23  VAL  59          HG23      VAL  59   6.187  -3.520  -6.376
  575    H    LEU  60           H        LEU  60   4.425  -4.932  -2.657
  576    HA   LEU  60           HA       LEU  60   2.798  -3.692  -0.677
  577    HB2  LEU  60           HB2      LEU  60   3.942  -6.493  -0.965
  578    HB3  LEU  60           HB3      LEU  60   2.914  -6.058   0.389
  579    HG   LEU  60           HG       LEU  60   2.004  -5.733  -2.502
  580   HD11  LEU  60          HD11      LEU  60   1.490  -8.024  -0.559
  581   HD12  LEU  60          HD12      LEU  60   2.501  -8.109  -2.020
  582   HD13  LEU  60          HD13      LEU  60   0.760  -7.830  -2.169
  583   HD21  LEU  60          HD21      LEU  60   0.708  -4.395  -0.890
  584   HD22  LEU  60          HD22      LEU  60   0.510  -5.813   0.157
  585   HD23  LEU  60          HD23      LEU  60  -0.253  -5.766  -1.447
  586    H    PHE  61           H        PHE  61   6.122  -5.093  -0.304
  587    HA   PHE  61           HA       PHE  61   6.377  -4.537   2.429
  588    HB2  PHE  61           HB2      PHE  61   7.982  -5.956   1.547
  589    HB3  PHE  61           HB3      PHE  61   8.393  -4.855   0.250
  590    HD1  PHE  61           HD1      PHE  61   8.924  -5.590   3.830
  591    HD2  PHE  61           HD2      PHE  61   9.941  -2.989   0.541
  592    HE1  PHE  61           HE1      PHE  61  10.777  -4.621   5.167
  593    HE2  PHE  61           HE2      PHE  61  11.800  -2.034   1.878
  594    HZ   PHE  61           HZ       PHE  61  12.216  -2.840   4.194
  595    H    TYR  62           H        TYR  62   7.446  -2.367  -0.190
  596    HA   TYR  62           HA       TYR  62   8.113  -0.234   1.564
  597    HB2  TYR  62           HB2      TYR  62   7.447  -0.304  -1.360
  598    HB3  TYR  62           HB3      TYR  62   7.870   1.190  -0.534
  599    HD1  TYR  62           HD1      TYR  62  10.138   0.831   1.070
  600    HD2  TYR  62           HD2      TYR  62   9.177  -1.212  -2.607
  601    HE1  TYR  62           HE1      TYR  62  12.556   0.472   0.639
  602    HE2  TYR  62           HE2      TYR  62  11.592  -1.621  -3.005
  603    HH   TYR  62           HH       TYR  62  14.127  -0.487  -0.738
  604    H    LEU  63           H        LEU  63   4.976  -0.896  -0.003
  605    HA   LEU  63           HA       LEU  63   3.706   1.491   0.887
  606    HB2  LEU  63           HB2      LEU  63   2.873   0.198  -0.965
  607    HB3  LEU  63           HB3      LEU  63   2.692  -1.242   0.040
  608    HG   LEU  63           HG       LEU  63   0.877  -0.216   1.302
  609   HD11  LEU  63          HD11      LEU  63   1.577   2.177   1.181
  610   HD12  LEU  63          HD12      LEU  63  -0.086   1.912   0.686
  611   HD13  LEU  63          HD13      LEU  63   1.172   2.185  -0.549
  612   HD21  LEU  63          HD21      LEU  63   0.491   0.123  -1.704
  613   HD22  LEU  63          HD22      LEU  63  -0.792  -0.093  -0.499
  614   HD23  LEU  63          HD23      LEU  63   0.352  -1.406  -0.818
  615    H    GLY  64           H        GLY  64   3.873  -1.783   2.418
  616    HA2  GLY  64           HA2      GLY  64   2.237  -1.168   4.685
  617    HA3  GLY  64           HA3      GLY  64   3.486  -2.414   4.610
  618    H    GLN  65           H        GLN  65   5.802  -0.900   4.229
  619    HA   GLN  65           HA       GLN  65   6.369   0.220   6.820
  620    HB2  GLN  65           HB2      GLN  65   7.824   0.435   4.156
  621    HB3  GLN  65           HB3      GLN  65   8.476   1.015   5.683
  622    HG2  GLN  65           HG2      GLN  65   7.722  -1.889   5.109
  623    HG3  GLN  65           HG3      GLN  65   9.347  -1.233   5.022
  624   HE21  GLN  65          HE21      GLN  65   8.148  -3.402   6.773
  625   HE22  GLN  65          HE22      GLN  65   8.605  -2.889   8.389
  626    H    TYR  66           H        TYR  66   5.298   1.753   3.763
  627    HA   TYR  66           HA       TYR  66   5.571   4.446   4.689
  628    HB2  TYR  66           HB2      TYR  66   5.512   4.100   2.373
  629    HB3  TYR  66           HB3      TYR  66   4.015   3.211   2.451
  630    HD1  TYR  66           HD1      TYR  66   1.810   4.371   2.852
  631    HD2  TYR  66           HD2      TYR  66   5.511   6.503   2.257
  632    HE1  TYR  66           HE1      TYR  66   0.539   6.435   2.270
  633    HE2  TYR  66           HE2      TYR  66   4.243   8.534   1.614
  634    HH   TYR  66           HH       TYR  66   0.665   8.674   1.680
  635    H    ILE  67           H        ILE  67   2.733   2.293   4.662
  636    HA   ILE  67           HA       ILE  67   0.913   4.070   5.915
  637    HB   ILE  67           HB       ILE  67   1.079   1.037   5.938
  638   HG12  ILE  67          HG12      ILE  67  -0.855   2.766   4.351
  639   HG13  ILE  67          HG13      ILE  67   0.751   2.407   3.725
  640   HG21  ILE  67          HG21      ILE  67  -1.404   1.155   6.511
  641   HG22  ILE  67          HG22      ILE  67  -0.329   1.634   7.819
  642   HG23  ILE  67          HG23      ILE  67  -1.171   2.872   6.865
  643   HD11  ILE  67          HD11      ILE  67  -0.860   0.837   2.807
  644   HD12  ILE  67          HD12      ILE  67   0.320  -0.010   3.820
  645   HD13  ILE  67          HD13      ILE  67  -1.326   0.299   4.427
  646    H    MET  68           H        MET  68   3.229   1.777   7.416
  647    HA   MET  68           HA       MET  68   2.517   2.359  10.129
  648    HB2  MET  68           HB2      MET  68   5.076   1.296   8.894
  649    HB3  MET  68           HB3      MET  68   4.852   1.527  10.635
  650    HG2  MET  68           HG2      MET  68   2.703   0.147  10.416
  651    HG3  MET  68           HG3      MET  68   3.287  -0.323   8.826
  652    HE1  MET  68           HE1      MET  68   6.472  -2.387   9.607
  653    HE2  MET  68           HE2      MET  68   5.428  -1.637   8.376
  654    HE3  MET  68           HE3      MET  68   6.497  -0.623   9.369
  655    H    THR  69           H        THR  69   5.224   3.796   8.165
  656    HA   THR  69           HA       THR  69   5.918   5.562  10.316
  657    HB   THR  69           HB       THR  69   7.435   4.804   8.479
  658    HG1  THR  69           HG1      THR  69   8.622   6.680   8.695
  659   HG21  THR  69          HG21      THR  69   6.313   7.239   7.013
  660   HG22  THR  69          HG22      THR  69   6.072   5.543   6.535
  661   HG23  THR  69          HG23      THR  69   7.696   6.232   6.531
  662    H    LYS  70           H        LYS  70   3.708   6.031   7.628
  663    HA   LYS  70           HA       LYS  70   3.081   8.814   8.236
  664    HB2  LYS  70           HB2      LYS  70   1.742   6.667   6.560
  665    HB3  LYS  70           HB3      LYS  70   1.195   8.333   6.608
  666    HG2  LYS  70           HG2      LYS  70   4.081   7.737   5.869
  667    HG3  LYS  70           HG3      LYS  70   2.806   7.439   4.708
  668    HD2  LYS  70           HD2      LYS  70   3.320  10.147   6.009
  669    HD3  LYS  70           HD3      LYS  70   3.892   9.624   4.413
  670    HE2  LYS  70           HE2      LYS  70   1.385   9.060   3.941
  671    HE3  LYS  70           HE3      LYS  70   1.030  10.104   5.318
  672    HZ1  LYS  70           HZ1      LYS  70   2.556  10.917   2.904
  673    HZ2  LYS  70           HZ2      LYS  70   2.126  11.923   4.138
  674    HZ3  LYS  70           HZ3      LYS  70   0.988  11.240   3.153
  675    H    ARG  71           H        ARG  71   2.049   5.868   9.690
  676    HA   ARG  71           HA       ARG  71   0.410   5.265  11.148
  677    HB2  ARG  71           HB2      ARG  71   0.746   8.168  11.950
  678    HB3  ARG  71           HB3      ARG  71  -0.252   7.045  12.861
  679    HG2  ARG  71           HG2      ARG  71   1.471   5.917  13.763
  680    HG3  ARG  71           HG3      ARG  71   2.476   6.005  12.324
  681    HD2  ARG  71           HD2      ARG  71   1.997   8.378  14.147
  682    HD3  ARG  71           HD3      ARG  71   3.354   7.257  14.326
  683    HE   ARG  71           HE       ARG  71   3.845   7.868  11.836
  684   HH11  ARG  71          HH11      ARG  71   2.789  10.239  14.205
  685   HH12  ARG  71          HH12      ARG  71   3.555  11.542  13.337
  686   HH21  ARG  71          HH21      ARG  71   4.749   9.491  10.829
  687   HH22  ARG  71          HH22      ARG  71   4.666  11.131  11.449
  688    H    LEU  72           H        LEU  72  -0.596   5.458   8.684
  689    HA   LEU  72           HA       LEU  72  -3.008   7.098   8.582
  690    HB2  LEU  72           HB2      LEU  72  -2.210   4.779   6.793
  691    HB3  LEU  72           HB3      LEU  72  -3.462   5.964   6.459
  692    HG   LEU  72           HG       LEU  72  -0.486   6.538   6.669
  693   HD11  LEU  72          HD11      LEU  72  -0.635   6.954   4.252
  694   HD12  LEU  72          HD12      LEU  72  -2.346   6.483   4.264
  695   HD13  LEU  72          HD13      LEU  72  -1.083   5.287   4.646
  696   HD21  LEU  72          HD21      LEU  72  -1.123   8.775   5.726
  697   HD22  LEU  72          HD22      LEU  72  -1.734   8.507   7.364
  698   HD23  LEU  72          HD23      LEU  72  -2.831   8.349   5.971
  699    H    TYR  73           H        TYR  73  -2.446   4.083  10.099
  700    HA   TYR  73           HA       TYR  73  -5.076   3.015   9.722
  701    HB2  TYR  73           HB2      TYR  73  -4.466   1.487  11.645
  702    HB3  TYR  73           HB3      TYR  73  -3.648   1.357  10.104
  703    HD1  TYR  73           HD1      TYR  73  -3.208   3.264  13.335
  704    HD2  TYR  73           HD2      TYR  73  -1.347   0.994  10.171
  705    HE1  TYR  73           HE1      TYR  73  -1.027   3.470  14.487
  706    HE2  TYR  73           HE2      TYR  73   0.837   1.172  11.339
  707    HH   TYR  73           HH       TYR  73   1.256   3.045  14.350
  708    H    ASP  74           H        ASP  74  -6.752   2.544  11.186
  709    HA   ASP  74           HA       ASP  74  -7.620   4.786  12.792
  710    HB2  ASP  74           HB2      ASP  74  -9.315   3.549  11.859
  711    HB3  ASP  74           HB3      ASP  74  -8.657   2.013  12.378
  712    H    GLU  75           H        GLU  75  -7.261   5.252  14.945
  713    HA   GLU  75           HA       GLU  75  -5.227   3.910  16.436
  714    HB2  GLU  75           HB2      GLU  75  -5.835   5.365  18.239
  715    HB3  GLU  75           HB3      GLU  75  -5.964   6.290  16.737
  716    HG2  GLU  75           HG2      GLU  75  -8.459   5.882  16.787
  717    HG3  GLU  75           HG3      GLU  75  -8.250   5.058  18.337
  718    H    LYS  76           H        LYS  76  -8.715   3.363  16.265
  719    HA   LYS  76           HA       LYS  76  -8.814   1.695  18.697
  720    HB2  LYS  76           HB2      LYS  76 -11.047   2.074  16.665
  721    HB3  LYS  76           HB3      LYS  76 -11.160   1.589  18.356
  722    HG2  LYS  76           HG2      LYS  76 -10.175   3.881  18.930
  723    HG3  LYS  76           HG3      LYS  76 -10.449   4.329  17.239
  724    HD2  LYS  76           HD2      LYS  76 -12.887   3.635  17.586
  725    HD3  LYS  76           HD3      LYS  76 -12.537   3.586  19.316
  726    HE2  LYS  76           HE2      LYS  76 -12.301   5.997  17.448
  727    HE3  LYS  76           HE3      LYS  76 -13.569   5.712  18.639
  728    HZ1  LYS  76           HZ1      LYS  76 -12.057   7.195  19.628
  729    HZ2  LYS  76           HZ2      LYS  76 -10.729   6.398  19.176
  730    HZ3  LYS  76           HZ3      LYS  76 -11.711   5.775  20.348
  731    H    GLN  77           H        GLN  77  -9.274   1.146  15.206
  732    HA   GLN  77           HA       GLN  77  -8.479  -1.729  15.592
  733    HB2  GLN  77           HB2      GLN  77 -10.376  -0.510  13.550
  734    HB3  GLN  77           HB3      GLN  77  -9.787  -2.165  13.496
  735    HG2  GLN  77           HG2      GLN  77 -11.450  -0.975  15.749
  736    HG3  GLN  77           HG3      GLN  77 -12.057  -1.982  14.441
  737   HE21  GLN  77          HE21      GLN  77 -12.472  -2.738  17.123
  738   HE22  GLN  77          HE22      GLN  77 -11.509  -4.178  17.425
  739    H    GLN  78           H        GLN  78  -6.261  -1.395  15.349
  740    HA   GLN  78           HA       GLN  78  -5.226   0.289  13.277
  741    HB2  GLN  78           HB2      GLN  78  -3.873  -1.679  15.144
  742    HB3  GLN  78           HB3      GLN  78  -2.998  -0.680  13.971
  743    HG2  GLN  78           HG2      GLN  78  -3.981   1.374  14.958
  744    HG3  GLN  78           HG3      GLN  78  -4.819   0.403  16.174
  745   HE21  GLN  78          HE21      GLN  78  -1.504   1.096  14.911
  746   HE22  GLN  78          HE22      GLN  78  -0.745   0.901  16.488
  747    H    HIS  79           H        HIS  79  -6.430  -2.841  12.973
  748    HA   HIS  79           HA       HIS  79  -4.867  -3.543  10.597
  749    HB2  HIS  79           HB2      HIS  79  -6.109  -5.504  10.532
  750    HB3  HIS  79           HB3      HIS  79  -5.861  -5.179  12.245
  751    HD1  HIS  79           HD1      HIS  79  -8.174  -4.477  13.653
  752    HD2  HIS  79           HD2      HIS  79  -8.543  -5.760   9.666
  753    HE1  HIS  79           HE1      HIS  79 -10.621  -5.038  13.316
  754    H    ILE  80           H        ILE  80  -7.282  -1.237  11.142
  755    HA   ILE  80           HA       ILE  80  -8.202  -1.297   8.311
  756    HB   ILE  80           HB       ILE  80  -9.422   0.256  10.606
  757   HG12  ILE  80          HG12      ILE  80 -10.229  -2.452   9.457
  758   HG13  ILE  80          HG13      ILE  80  -9.669  -2.128  11.093
  759   HG21  ILE  80          HG21      ILE  80  -9.813   1.174   8.308
  760   HG22  ILE  80          HG22      ILE  80 -10.478  -0.397   7.814
  761   HG23  ILE  80          HG23      ILE  80 -11.292   0.592   9.043
  762   HD11  ILE  80          HD11      ILE  80 -12.019  -2.421  11.214
  763   HD12  ILE  80          HD12      ILE  80 -11.704  -0.692  11.464
  764   HD13  ILE  80          HD13      ILE  80 -12.321  -1.279   9.898
  765    H    VAL  81           H        VAL  81  -7.599   0.258   6.939
  766    HA   VAL  81           HA       VAL  81  -5.785   2.399   7.904
  767    HB   VAL  81           HB       VAL  81  -5.973   1.410   5.070
  768   HG11  VAL  81          HG11      VAL  81  -3.736   2.455   4.889
  769   HG12  VAL  81          HG12      VAL  81  -4.952   3.647   5.351
  770   HG13  VAL  81          HG13      VAL  81  -3.845   2.989   6.579
  771   HG21  VAL  81          HG21      VAL  81  -3.853   0.176   5.538
  772   HG22  VAL  81          HG22      VAL  81  -4.077   0.505   7.272
  773   HG23  VAL  81          HG23      VAL  81  -5.245  -0.500   6.380
  774    H    TYR  82           H        TYR  82  -6.298   4.457   7.765
  775    HA   TYR  82           HA       TYR  82  -8.594   5.317   6.110
  776    HB2  TYR  82           HB2      TYR  82  -7.690   6.321   8.774
  777    HB3  TYR  82           HB3      TYR  82  -8.639   7.312   7.677
  778    HD1  TYR  82           HD2      TYR  82  -8.662   4.079   9.530
  779    HD2  TYR  82           HD1      TYR  82 -10.983   7.002   7.366
  780    HE1  TYR  82           HE2      TYR  82 -10.750   2.970  10.280
  781    HE2  TYR  82           HE1      TYR  82 -13.082   5.876   8.108
  782    HH   TYR  82           HH       TYR  82 -13.051   2.979  10.218
  783    H    CYS  83           H        CYS  83  -7.186   5.212   4.306
  784    HA   CYS  83           HA       CYS  83  -4.960   7.021   4.061
  785    HB2  CYS  83           HB2      CYS  83  -4.972   6.156   1.700
  786    HB3  CYS  83           HB3      CYS  83  -4.857   4.926   2.963
  787    HG   CYS  83           HG       CYS  83  -6.359   4.099   0.920
  788    H    SER  84           H        SER  84  -8.119   7.950   4.105
  789    HA   SER  84           HA       SER  84  -8.510   9.632   1.921
  790    HB2  SER  84           HB2      SER  84 -10.020  10.921   3.369
  791    HB3  SER  84           HB3      SER  84 -10.249   9.180   3.553
  792    HG   SER  84           HG       SER  84 -10.206  10.290   5.566
  793    H    ASN  85           H        ASN  85  -8.193  11.751   1.438
  794    HA   ASN  85           HA       ASN  85  -7.021  13.615   1.069
  795    HB2  ASN  85           HB2      ASN  85  -6.835  13.749   4.097
  796    HB3  ASN  85           HB3      ASN  85  -6.573  15.091   2.992
  797   HD21  ASN  85          HD21      ASN  85  -8.840  13.944   5.040
  798   HD22  ASN  85          HD22      ASN  85 -10.268  14.553   4.213
  799    H    ASP  86           H        ASP  86  -5.377  11.024   1.415
  800    HA   ASP  86           HA       ASP  86  -2.693  12.344   1.402
  801    HB2  ASP  86           HB2      ASP  86  -2.971  10.923   3.378
  802    HB3  ASP  86           HB3      ASP  86  -3.425   9.555   2.354
  803    H    LEU  87           H        LEU  87  -1.045  11.208   0.115
  804    HA   LEU  87           HA       LEU  87  -1.594  10.734  -2.614
  805    HB2  LEU  87           HB2      LEU  87   0.590  11.271  -1.763
  806    HB3  LEU  87           HB3      LEU  87   0.606   9.842  -0.734
  807    HG   LEU  87           HG       LEU  87   0.752   8.366  -2.703
  808   HD11  LEU  87          HD11      LEU  87   0.885  10.955  -4.308
  809   HD12  LEU  87          HD12      LEU  87  -0.394   9.722  -4.404
  810   HD13  LEU  87          HD13      LEU  87   1.244   9.320  -4.921
  811   HD21  LEU  87          HD21      LEU  87   2.800   9.185  -1.630
  812   HD22  LEU  87          HD22      LEU  87   2.779  10.636  -2.658
  813   HD23  LEU  87          HD23      LEU  87   3.043   9.034  -3.382
  814    H    LEU  88           H        LEU  88  -1.571   8.386   0.136
  815    HA   LEU  88           HA       LEU  88  -1.939   6.112  -1.569
  816    HB2  LEU  88           HB2      LEU  88  -0.950   6.023   0.665
  817    HB3  LEU  88           HB3      LEU  88  -2.497   6.476   1.392
  818    HG   LEU  88           HG       LEU  88  -3.516   4.378   0.539
  819   HD11  LEU  88          HD11      LEU  88  -2.254   3.929  -1.482
  820   HD12  LEU  88          HD12      LEU  88  -1.921   2.615  -0.375
  821   HD13  LEU  88          HD13      LEU  88  -0.720   3.900  -0.584
  822   HD21  LEU  88          HD21      LEU  88  -0.922   3.960   2.054
  823   HD22  LEU  88          HD22      LEU  88  -2.309   2.841   2.009
  824   HD23  LEU  88          HD23      LEU  88  -2.488   4.442   2.745
  825    H    GLY  89           H        GLY  89  -4.312   8.229   0.041
  826    HA2  GLY  89           HA2      GLY  89  -6.677   6.737  -0.647
  827    HA3  GLY  89           HA3      GLY  89  -6.581   8.478  -0.343
  828    H    ASP  90           H        ASP  90  -4.749   9.177  -2.410
  829    HA   ASP  90           HA       ASP  90  -6.431   9.217  -4.762
  830    HB2  ASP  90           HB2      ASP  90  -3.606  10.149  -4.247
  831    HB3  ASP  90           HB3      ASP  90  -4.333  10.193  -5.846
  832    H    LEU  91           H        LEU  91  -3.822   7.098  -3.808
  833    HA   LEU  91           HA       LEU  91  -3.653   5.683  -6.348
  834    HB2  LEU  91           HB2      LEU  91  -2.736   5.163  -3.508
  835    HB3  LEU  91           HB3      LEU  91  -2.568   3.928  -4.742
  836    HG   LEU  91           HG       LEU  91  -1.332   6.705  -4.984
  837   HD11  LEU  91          HD11      LEU  91  -0.164   4.121  -3.971
  838   HD12  LEU  91          HD12      LEU  91  -0.413   5.634  -3.091
  839   HD13  LEU  91          HD13      LEU  91   0.768   5.585  -4.400
  840   HD21  LEU  91          HD21      LEU  91  -1.672   5.513  -7.155
  841   HD22  LEU  91          HD22      LEU  91  -0.837   4.099  -6.483
  842   HD23  LEU  91          HD23      LEU  91   0.026   5.638  -6.717
  843    H    PHE  92           H        PHE  92  -5.102   4.702  -3.172
  844    HA   PHE  92           HA       PHE  92  -6.379   2.451  -4.397
  845    HB2  PHE  92           HB2      PHE  92  -6.553   3.589  -1.627
  846    HB3  PHE  92           HB3      PHE  92  -7.601   2.290  -2.154
  847    HD1  PHE  92           HD2      PHE  92  -6.209   0.367  -3.581
  848    HD2  PHE  92           HD1      PHE  92  -4.834   2.723  -0.263
  849    HE1  PHE  92           HE2      PHE  92  -4.568  -1.417  -3.003
  850    HE2  PHE  92           HE1      PHE  92  -3.243   0.916   0.355
  851    HZ   PHE  92           HZ       PHE  92  -3.073  -1.127  -1.033
  852    H    GLY  93           H        GLY  93  -7.582   5.674  -4.149
  853    HA2  GLY  93           HA2      GLY  93  -9.457   6.574  -5.140
  854    HA3  GLY  93           HA3      GLY  93  -9.898   4.982  -5.768
  855    H    VAL  94           H        VAL  94  -9.383   5.305  -2.332
  856    HA   VAL  94           HA       VAL  94 -12.269   5.583  -1.685
  857    HB   VAL  94           HB       VAL  94 -11.989   3.701   0.005
  858   HG11  VAL  94          HG11      VAL  94 -11.923   2.871  -2.912
  859   HG12  VAL  94          HG12      VAL  94 -12.553   1.925  -1.549
  860   HG13  VAL  94          HG13      VAL  94 -13.349   3.443  -2.008
  861   HG21  VAL  94          HG21      VAL  94  -9.713   2.774  -1.763
  862   HG22  VAL  94          HG22      VAL  94  -9.495   3.451  -0.130
  863   HG23  VAL  94          HG23      VAL  94 -10.391   1.943  -0.356
  864    HA   PRO  95           HA       PRO  95 -10.474   7.850   1.751
  865    HB2  PRO  95           HB2      PRO  95 -12.476   7.755   3.615
  866    HB3  PRO  95           HB3      PRO  95 -12.618   8.689   2.094
  867    HG2  PRO  95           HG2      PRO  95 -13.652   5.880   2.646
  868    HG3  PRO  95           HG3      PRO  95 -14.551   7.273   1.958
  869    HD2  PRO  95           HD2      PRO  95 -13.443   5.378   0.380
  870    HD3  PRO  95           HD3      PRO  95 -13.421   7.095  -0.105
  871    H    SER  96           H        SER  96 -11.620   4.528   2.211
  872    HA   SER  96           HA       SER  96  -9.428   3.897   4.002
  873    HB2  SER  96           HB2      SER  96 -10.849   3.130   5.876
  874    HB3  SER  96           HB3      SER  96 -11.007   4.870   5.604
  875    HG   SER  96           HG       SER  96 -13.041   3.844   5.910
  876    H    PHE  97           H        PHE  97  -9.308   1.641   4.582
  877    HA   PHE  97           HA       PHE  97 -11.130  -0.338   3.445
  878    HB2  PHE  97           HB2      PHE  97  -9.582  -1.398   1.963
  879    HB3  PHE  97           HB3      PHE  97  -9.590   0.284   1.487
  880    HD1  PHE  97           HD1      PHE  97  -7.581   1.735   1.953
  881    HD2  PHE  97           HD2      PHE  97  -7.643  -2.457   2.929
  882    HE1  PHE  97           HE1      PHE  97  -5.107   1.752   2.204
  883    HE2  PHE  97           HE2      PHE  97  -5.173  -2.428   3.219
  884    HZ   PHE  97           HZ       PHE  97  -3.905  -0.354   2.814
  885    H    SER  98           H        SER  98 -10.388  -2.552   4.210
  886    HA   SER  98           HA       SER  98  -8.679  -2.371   6.673
  887    HB2  SER  98           HB2      SER  98 -10.886  -3.011   7.276
  888    HB3  SER  98           HB3      SER  98 -10.939  -4.250   6.014
  889    HG   SER  98           HG       SER  98 -10.408  -4.985   8.197
  890    H    VAL  99           H        VAL  99  -6.868  -3.586   6.872
  891    HA   VAL  99           HA       VAL  99  -5.635  -4.686   4.530
  892    HB   VAL  99           HB       VAL  99  -4.867  -5.228   7.368
  893   HG11  VAL  99          HG11      VAL  99  -3.629  -6.645   5.802
  894   HG12  VAL  99          HG12      VAL  99  -3.244  -5.233   4.797
  895   HG13  VAL  99          HG13      VAL  99  -2.567  -5.387   6.433
  896   HG21  VAL  99          HG21      VAL  99  -4.990  -2.776   7.050
  897   HG22  VAL  99          HG22      VAL  99  -3.326  -3.319   7.190
  898   HG23  VAL  99          HG23      VAL  99  -3.995  -2.915   5.589
  899    H    LYS 100           H        LYS 100  -7.729  -6.087   6.889
  900    HA   LYS 100           HA       LYS 100  -7.301  -8.907   6.426
  901    HB2  LYS 100           HB2      LYS 100  -8.348  -7.809   8.394
  902    HB3  LYS 100           HB3      LYS 100  -9.711  -7.313   7.387
  903    HG2  LYS 100           HG2      LYS 100 -10.356  -9.660   7.043
  904    HG3  LYS 100           HG3      LYS 100  -8.974 -10.203   8.014
  905    HD2  LYS 100           HD2      LYS 100 -11.164  -8.332   9.031
  906    HD3  LYS 100           HD3      LYS 100 -11.218 -10.087   9.230
  907    HE2  LYS 100           HE2      LYS 100  -9.314 -10.125  10.654
  908    HE3  LYS 100           HE3      LYS 100  -8.834  -8.483  10.223
  909    HZ1  LYS 100           HZ1      LYS 100  -9.907  -8.625  12.404
  910    HZ2  LYS 100           HZ2      LYS 100 -11.317  -9.091  11.717
  911    HZ3  LYS 100           HZ3      LYS 100 -10.686  -7.600  11.403
  912    H    GLU 101           H        GLU 101  -8.856  -6.471   4.492
  913    HA   GLU 101           HA       GLU 101 -10.576  -8.290   2.980
  914    HB2  GLU 101           HB2      GLU 101  -9.853  -5.390   2.455
  915    HB3  GLU 101           HB3      GLU 101 -11.100  -6.321   1.632
  916    HG2  GLU 101           HG2      GLU 101 -12.458  -6.526   3.555
  917    HG3  GLU 101           HG3      GLU 101 -11.207  -5.913   4.624
  918    H    HIS 102           H        HIS 102  -8.179  -9.469   2.865
  919    HA   HIS 102           HA       HIS 102  -6.194  -8.633   1.188
  920    HB2  HIS 102           HB2      HIS 102  -7.130 -11.510   1.521
  921    HB3  HIS 102           HB3      HIS 102  -5.530 -10.997   0.995
  922    HD1  HIS 102           HD1      HIS 102  -4.244  -9.354   3.031
  923    HD2  HIS 102           HD2      HIS 102  -7.272 -12.083   4.057
  924    HE1  HIS 102           HE1      HIS 102  -3.881  -9.922   5.481
  925    H    ARG 103           H        ARG 103  -8.987 -10.563   0.050
  926    HA   ARG 103           HA       ARG 103  -8.152 -10.855  -2.668
  927    HB2  ARG 103           HB2      ARG 103  -9.848 -12.204  -1.477
  928    HB3  ARG 103           HB3      ARG 103 -10.954 -10.842  -1.462
  929    HG2  ARG 103           HG2      ARG 103  -9.914 -11.776  -4.139
  930    HG3  ARG 103           HG3      ARG 103 -11.037 -12.816  -3.270
  931    HD2  ARG 103           HD2      ARG 103 -12.646 -10.874  -3.080
  932    HD3  ARG 103           HD3      ARG 103 -11.562  -9.940  -4.109
  933    HE   ARG 103           HE       ARG 103 -12.289 -11.112  -5.962
  934   HH11  ARG 103          HH11      ARG 103 -13.418 -12.926  -3.175
  935   HH12  ARG 103          HH12      ARG 103 -14.378 -14.005  -4.144
  936   HH21  ARG 103          HH21      ARG 103 -13.498 -12.543  -7.138
  937   HH22  ARG 103          HH22      ARG 103 -14.240 -13.908  -6.347
  938    H    LYS 104           H        LYS 104 -10.038  -8.303  -1.140
  939    HA   LYS 104           HA       LYS 104 -10.574  -6.739  -3.549
  940    HB2  LYS 104           HB2      LYS 104 -12.050  -6.511  -1.689
  941    HB3  LYS 104           HB3      LYS 104 -10.716  -6.261  -0.570
  942    HG2  LYS 104           HG2      LYS 104 -10.240  -4.059  -1.595
  943    HG3  LYS 104           HG3      LYS 104 -11.646  -4.260  -2.665
  944    HD2  LYS 104           HD2      LYS 104 -13.146  -4.319  -0.733
  945    HD3  LYS 104           HD3      LYS 104 -11.770  -4.431   0.377
  946    HE2  LYS 104           HE2      LYS 104 -11.004  -2.166  -0.451
  947    HE3  LYS 104           HE3      LYS 104 -12.548  -2.023  -1.306
  948    HZ1  LYS 104           HZ1      LYS 104 -12.241  -2.470   1.628
  949    HZ2  LYS 104           HZ2      LYS 104 -13.668  -2.270   0.852
  950    HZ3  LYS 104           HZ3      LYS 104 -12.617  -1.020   0.938
  951    H    ILE 105           H        ILE 105  -8.088  -6.534  -0.946
  952    HA   ILE 105           HA       ILE 105  -6.719  -4.291  -2.054
  953    HB   ILE 105           HB       ILE 105  -5.723  -6.537  -0.276
  954   HG12  ILE 105          HG12      ILE 105  -6.374  -3.599   0.285
  955   HG13  ILE 105          HG13      ILE 105  -7.487  -4.927   0.583
  956   HG21  ILE 105          HG21      ILE 105  -3.757  -5.639  -1.462
  957   HG22  ILE 105          HG22      ILE 105  -4.276  -3.974  -1.110
  958   HG23  ILE 105          HG23      ILE 105  -3.747  -5.057   0.189
  959   HD11  ILE 105          HD11      ILE 105  -4.856  -4.436   2.024
  960   HD12  ILE 105          HD12      ILE 105  -6.494  -4.369   2.651
  961   HD13  ILE 105          HD13      ILE 105  -5.828  -5.931   2.187
  962    H    TYR 106           H        TYR 106  -6.142  -7.811  -2.705
  963    HA   TYR 106           HA       TYR 106  -3.987  -7.439  -4.450
  964    HB2  TYR 106           HB2      TYR 106  -6.162  -9.543  -4.613
  965    HB3  TYR 106           HB3      TYR 106  -4.644  -9.599  -5.492
  966    HD1  TYR 106           HD2      TYR 106  -2.727  -8.676  -3.244
  967    HD2  TYR 106           HD1      TYR 106  -5.972 -11.528  -3.373
  968    HE1  TYR 106           HE2      TYR 106  -1.722  -9.902  -1.353
  969    HE2  TYR 106           HE1      TYR 106  -4.914 -12.790  -1.504
  970    HH   TYR 106           HH       TYR 106  -1.806 -11.841  -0.091
  971    H    THR 107           H        THR 107  -7.439  -7.426  -5.439
  972    HA   THR 107           HA       THR 107  -6.752  -6.863  -8.171
  973    HB   THR 107           HB       THR 107  -8.878  -7.958  -7.351
  974    HG1  THR 107           HG1      THR 107  -9.878  -7.264  -9.221
  975   HG21  THR 107          HG21      THR 107  -9.723  -6.133  -5.894
  976   HG22  THR 107          HG22      THR 107 -10.846  -6.510  -7.203
  977   HG23  THR 107          HG23      THR 107  -9.833  -5.054  -7.302
  978    H    MET 108           H        MET 108  -7.468  -4.650  -5.485
  979    HA   MET 108           HA       MET 108  -7.396  -2.272  -7.130
  980    HB2  MET 108           HB2      MET 108  -6.788  -2.624  -4.169
  981    HB3  MET 108           HB3      MET 108  -6.895  -1.084  -5.038
  982    HG2  MET 108           HG2      MET 108  -9.241  -1.751  -5.739
  983    HG3  MET 108           HG3      MET 108  -9.146  -3.049  -4.559
  984    HE1  MET 108           HE1      MET 108  -7.406  -1.374  -2.160
  985    HE2  MET 108           HE2      MET 108  -8.813  -0.932  -1.173
  986    HE3  MET 108           HE3      MET 108  -8.697  -2.556  -1.893
  987    H    MET 109           H        MET 109  -4.800  -4.055  -5.390
  988    HA   MET 109           HA       MET 109  -2.673  -2.236  -6.049
  989    HB2  MET 109           HB2      MET 109  -2.709  -5.201  -5.362
  990    HB3  MET 109           HB3      MET 109  -1.223  -4.298  -5.628
  991    HG2  MET 109           HG2      MET 109  -3.303  -3.585  -3.530
  992    HG3  MET 109           HG3      MET 109  -1.868  -4.548  -3.221
  993    HE1  MET 109           HE1      MET 109   0.540  -3.707  -3.165
  994    HE2  MET 109           HE2      MET 109   0.546  -2.975  -4.785
  995    HE3  MET 109           HE3      MET 109   1.035  -2.018  -3.370
  996    H    ALA 110           H        ALA 110  -3.968  -5.107  -7.768
  997    HA   ALA 110           HA       ALA 110  -2.052  -5.191  -9.854
  998    HB1  ALA 110           HB1      ALA 110  -3.795  -6.500 -11.024
  999    HB2  ALA 110           HB2      ALA 110  -3.660  -6.978  -9.318
 1000    HB3  ALA 110           HB3      ALA 110  -5.007  -5.949  -9.846
 1001    H    SER 111           H        SER 111  -5.036  -3.205  -9.596
 1002    HA   SER 111           HA       SER 111  -4.964  -2.164 -12.257
 1003    HB2  SER 111           HB2      SER 111  -6.619  -0.660 -11.586
 1004    HB3  SER 111           HB3      SER 111  -6.896  -2.089 -10.586
 1005    HG   SER 111           HG       SER 111  -5.766  -0.969  -8.871
 1006    H    MET 112           H        MET 112  -2.933  -1.384  -9.539
 1007    HA   MET 112           HA       MET 112  -2.080   1.218 -10.618
 1008    HB2  MET 112           HB2      MET 112  -0.872  -0.357  -8.324
 1009    HB3  MET 112           HB3      MET 112  -0.642   1.354  -8.714
 1010    HG2  MET 112           HG2      MET 112  -3.062   1.757  -8.247
 1011    HG3  MET 112           HG3      MET 112  -3.212   0.062  -7.767
 1012    HE1  MET 112           HE1      MET 112  -3.518   1.520  -4.277
 1013    HE2  MET 112           HE2      MET 112  -4.352   1.782  -5.828
 1014    HE3  MET 112           HE3      MET 112  -3.933   0.133  -5.315
 1015    H    THR 113           H        THR 113  -1.328  -1.961 -11.418
 1016    HA   THR 113           HA       THR 113   1.246  -1.121 -12.590
 1017    HB   THR 113           HB       THR 113   2.546  -2.771 -11.856
 1018    HG1  THR 113           HG1      THR 113   1.351  -4.528 -12.420
 1019   HG21  THR 113          HG21      THR 113   0.613  -2.678  -9.498
 1020   HG22  THR 113          HG22      THR 113   1.854  -1.452  -9.830
 1021   HG23  THR 113          HG23      THR 113   2.329  -3.107  -9.457
 1022    H    GLY 114           H        GLY 114  -1.656  -2.035 -13.527
 1023    HA2  GLY 114           HA2      GLY 114  -0.805  -2.595 -16.218
 1024    HA3  GLY 114           HA3      GLY 114  -1.408  -4.057 -15.433
 1025    H    GLY 115           H        GLY 115  -2.660  -3.140 -17.654
 1026    HA2  GLY 115           HA2      GLY 115  -4.909  -1.377 -17.156
 1027    HA3  GLY 115           HA3      GLY 115  -4.642  -2.374 -18.580
 1028    H    GLN 116           H        GLN 116  -7.151  -2.049 -17.698
 1029    HA   GLN 116           HA       GLN 116  -8.003  -4.772 -17.034
 1030    HB2  GLN 116           HB2      GLN 116  -9.461  -4.120 -15.198
 1031    HB3  GLN 116           HB3      GLN 116  -7.775  -3.779 -14.810
 1032    HG2  GLN 116           HG2      GLN 116  -8.161  -1.359 -15.362
 1033    HG3  GLN 116           HG3      GLN 116  -9.856  -1.725 -15.695
 1034   HE21  GLN 116          HE21      GLN 116  -9.854   0.130 -13.942
 1035   HE22  GLN 116          HE22      GLN 116  -9.976  -0.456 -12.288
 1036    H    GLN 117           H        GLN 117 -10.272  -5.147 -17.464
 1037    HA   GLN 117           HA       GLN 117 -11.225  -3.767 -19.811
 1038    HB2  GLN 117           HB2      GLN 117 -13.064  -5.322 -19.764
 1039    HB3  GLN 117           HB3      GLN 117 -11.547  -6.166 -19.471
 1040    HG2  GLN 117           HG2      GLN 117 -12.073  -6.195 -17.007
 1041    HG3  GLN 117           HG3      GLN 117 -13.626  -5.428 -17.357
 1042   HE21  GLN 117          HE21      GLN 117 -15.078  -6.685 -18.986
 1043   HE22  GLN 117          HE22      GLN 117 -14.963  -8.439 -18.934
 1044    H    MET 118           H        MET 118 -13.244  -2.711 -20.118
 1045    HA   MET 118           HA       MET 118 -14.766  -1.651 -17.864
 1046    HB2  MET 118           HB2      MET 118 -14.391   0.702 -18.386
 1047    HB3  MET 118           HB3      MET 118 -12.889  -0.073 -17.897
 1048    HG2  MET 118           HG2      MET 118 -12.201  -0.262 -20.267
 1049    HG3  MET 118           HG3      MET 118 -13.698   0.520 -20.777
 1050    HE1  MET 118           HE1      MET 118 -14.121   2.968 -18.774
 1051    HE2  MET 118           HE2      MET 118 -13.250   4.219 -19.679
 1052    HE3  MET 118           HE3      MET 118 -14.248   3.035 -20.548
 1053    H    GLY 119           H        GLY 119 -16.651  -0.409 -18.559
 1054    HA2  GLY 119           HA2      GLY 119 -17.551   0.070 -21.166
 1055    HA3  GLY 119           HA3      GLY 119 -18.051  -1.582 -20.795
  Start of MODEL    5
    1    H1   MET -11           H1       MET -11   1.512  -9.167  20.434
    2    H2   MET -11           H2       MET -11   0.319 -10.277  20.299
    3    H3   MET -11           H3       MET -11   0.792  -9.767  21.779
    4    HA   MET -11           HA       MET -11  -1.304  -8.761  21.180
    5    HB2  MET -11           HB2      MET -11   0.306  -7.554  22.646
    6    HB3  MET -11           HB3      MET -11   0.979  -6.745  21.226
    7    HG2  MET -11           HG2      MET -11  -1.266  -5.748  20.773
    8    HG3  MET -11           HG3      MET -11  -1.888  -6.518  22.231
    9    HE1  MET -11           HE1      MET -11  -0.173  -4.529  25.116
   10    HE2  MET -11           HE2      MET -11  -1.357  -5.778  24.673
   11    HE3  MET -11           HE3      MET -11   0.384  -6.077  24.454
   12    HA   PRO -10           HA       PRO -10  -1.901  -8.161  16.850
   13    HB2  PRO -10           HB2      PRO -10  -4.010  -6.164  17.678
   14    HB3  PRO -10           HB3      PRO -10  -4.119  -7.491  16.480
   15    HG2  PRO -10           HG2      PRO -10  -5.174  -7.822  18.944
   16    HG3  PRO -10           HG3      PRO -10  -4.196  -9.144  18.222
   17    HD2  PRO -10           HD2      PRO -10  -3.330  -7.045  20.231
   18    HD3  PRO -10           HD3      PRO -10  -3.060  -8.816  20.257
   19    H    ARG  -9           H        ARG  -9  -1.300  -6.854  15.174
   20    HA   ARG  -9           HA       ARG  -9  -0.806  -3.971  15.490
   21    HB2  ARG  -9           HB2      ARG  -9   1.400  -5.988  14.865
   22    HB3  ARG  -9           HB3      ARG  -9   1.540  -4.279  14.483
   23    HG2  ARG  -9           HG2      ARG  -9   1.250  -5.416  17.288
   24    HG3  ARG  -9           HG3      ARG  -9   2.733  -4.845  16.532
   25    HD2  ARG  -9           HD2      ARG  -9   1.789  -2.573  16.312
   26    HD3  ARG  -9           HD3      ARG  -9   0.290  -3.093  17.073
   27    HE   ARG  -9           HE       ARG  -9   2.899  -2.635  18.370
   28   HH11  ARG  -9          HH11      ARG  -9  -0.336  -3.934  18.852
   29   HH12  ARG  -9          HH12      ARG  -9  -0.288  -3.591  20.568
   30   HH21  ARG  -9          HH21      ARG  -9   2.904  -2.351  20.572
   31   HH22  ARG  -9          HH22      ARG  -9   1.507  -2.785  21.511
   32    H    PHE  -8           H        PHE  -8  -0.532  -2.817  13.580
   33    HA   PHE  -8           HA       PHE  -8  -1.884  -3.648  11.274
   34    HB2  PHE  -8           HB2      PHE  -8  -1.634  -1.367  11.455
   35    HB3  PHE  -8           HB3      PHE  -8   0.085  -1.465  11.803
   36    HD1  PHE  -8           HD1      PHE  -8  -2.435  -1.847   9.072
   37    HD2  PHE  -8           HD2      PHE  -8   1.738  -1.399  10.070
   38    HE1  PHE  -8           HE1      PHE  -8  -1.873  -1.638   6.662
   39    HE2  PHE  -8           HE2      PHE  -8   2.292  -1.215   7.660
   40    HZ   PHE  -8           HZ       PHE  -8   0.489  -1.362   5.952
   41    H    TRP  -7           H        TRP  -7   1.642  -3.832  11.725
   42    HA   TRP  -7           HA       TRP  -7   2.125  -4.747   9.077
   43    HB2  TRP  -7           HB2      TRP  -7   3.762  -3.591  10.444
   44    HB3  TRP  -7           HB3      TRP  -7   3.848  -4.953  11.555
   45    HD1  TRP  -7           HD1      TRP  -7   5.295  -7.022  10.852
   46    HE1  TRP  -7           HE1      TRP  -7   6.904  -7.549   8.926
   47    HE3  TRP  -7           HE3      TRP  -7   4.102  -3.147   7.722
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.546  -6.470   6.327
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.193  -2.969   5.493
   50    HH2  TRP  -7           HH2      TRP  -7   6.899  -4.602   4.788
   51    H    GLU  -6           H        GLU  -6   1.249  -6.618  11.950
   52    HA   GLU  -6           HA       GLU  -6   1.928  -9.224  10.876
   53    HB2  GLU  -6           HB2      GLU  -6  -0.124  -8.275  12.910
   54    HB3  GLU  -6           HB3      GLU  -6   0.019  -9.963  12.458
   55    HG2  GLU  -6           HG2      GLU  -6   2.322  -8.303  13.578
   56    HG3  GLU  -6           HG3      GLU  -6   1.237  -9.283  14.559
   57    H    TYR  -5           H        TYR  -5  -1.111  -7.290  10.749
   58    HA   TYR  -5           HA       TYR  -5  -2.403  -9.053   8.902
   59    HB2  TYR  -5           HB2      TYR  -5  -2.959  -6.258   9.806
   60    HB3  TYR  -5           HB3      TYR  -5  -3.764  -6.894   8.382
   61    HD1  TYR  -5           HD2      TYR  -5  -5.227  -8.852   8.456
   62    HD2  TYR  -5           HD1      TYR  -5  -3.534  -7.154  12.045
   63    HE1  TYR  -5           HE2      TYR  -5  -6.903 -10.073   9.824
   64    HE2  TYR  -5           HE1      TYR  -5  -5.239  -8.354  13.413
   65    HH   TYR  -5           HH       TYR  -5  -7.014  -9.813  13.397
   66    H    TRP  -4           H        TRP  -4  -0.354  -6.237   8.270
   67    HA   TRP  -4           HA       TRP  -4  -0.726  -6.270   5.426
   68    HB2  TRP  -4           HB2      TRP  -4   0.253  -4.428   6.911
   69    HB3  TRP  -4           HB3      TRP  -4   1.761  -5.349   6.915
   70    HD1  TRP  -4           HD1      TRP  -4   3.160  -5.388   4.665
   71    HE1  TRP  -4           HE1      TRP  -4   2.977  -4.177   2.405
   72    HE3  TRP  -4           HE3      TRP  -4  -1.536  -3.437   5.169
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.949  -2.788   0.907
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.619  -2.263   3.267
   75    HH2  TRP  -4           HH2      TRP  -4  -1.399  -1.929   1.140
   76    H    LEU  -3           H        LEU  -3   1.734  -7.938   7.497
   77    HA   LEU  -3           HA       LEU  -3   3.189  -9.158   5.444
   78    HB2  LEU  -3           HB2      LEU  -3   3.790  -9.047   7.847
   79    HB3  LEU  -3           HB3      LEU  -3   2.494 -10.181   8.226
   80    HG   LEU  -3           HG       LEU  -3   3.668 -11.937   6.870
   81   HD11  LEU  -3          HD11      LEU  -3   4.935 -10.519   5.322
   82   HD12  LEU  -3          HD12      LEU  -3   6.069 -11.481   6.280
   83   HD13  LEU  -3          HD13      LEU  -3   5.802  -9.764   6.677
   84   HD21  LEU  -3          HD21      LEU  -3   5.483 -12.305   8.484
   85   HD22  LEU  -3          HD22      LEU  -3   4.011 -11.760   9.306
   86   HD23  LEU  -3          HD23      LEU  -3   5.350 -10.621   9.043
   87    H    ARG  -2           H        ARG  -2  -0.043 -10.012   6.616
   88    HA   ARG  -2           HA       ARG  -2  -0.093 -12.652   5.353
   89    HB2  ARG  -2           HB2      ARG  -2  -2.450 -10.941   6.193
   90    HB3  ARG  -2           HB3      ARG  -2  -2.471 -12.645   5.763
   91    HG2  ARG  -2           HG2      ARG  -2  -1.473 -11.342   8.277
   92    HG3  ARG  -2           HG3      ARG  -2  -2.605 -12.668   8.074
   93    HD2  ARG  -2           HD2      ARG  -2  -0.674 -14.087   7.259
   94    HD3  ARG  -2           HD3      ARG  -2   0.426 -12.783   7.705
   95    HE   ARG  -2           HE       ARG  -2  -1.041 -14.624   9.466
   96   HH11  ARG  -2          HH12      ARG  -2   0.691 -11.555   9.567
   97   HH12  ARG  -2          HH11      ARG  -2   1.435 -11.949  11.104
   98   HH21  ARG  -2          HH21      ARG  -2  -0.173 -14.909  11.516
   99   HH22  ARG  -2          HH22      ARG  -2   0.899 -13.691  12.168
  100    H    LEU  -1           H        LEU  -1  -0.619  -9.411   4.131
  101    HA   LEU  -1           HA       LEU  -1  -1.768 -10.280   1.587
  102    HB2  LEU  -1           HB2      LEU  -1  -0.203  -7.787   2.366
  103    HB3  LEU  -1           HB3      LEU  -1  -0.849  -8.056   0.771
  104    HG   LEU  -1           HG       LEU  -1  -2.618  -7.940   3.245
  105   HD11  LEU  -1          HD11      LEU  -1  -3.093  -5.624   2.489
  106   HD12  LEU  -1          HD12      LEU  -1  -1.847  -5.786   1.231
  107   HD13  LEU  -1          HD13      LEU  -1  -1.395  -5.827   2.945
  108   HD21  LEU  -1          HD21      LEU  -1  -4.368  -7.471   1.567
  109   HD22  LEU  -1          HD22      LEU  -1  -3.614  -9.045   1.235
  110   HD23  LEU  -1          HD23      LEU  -1  -3.191  -7.635   0.251
  111    H    MET   0           H        MET   0   1.541  -9.479   2.779
  112    HA   MET   0           HA       MET   0   2.769  -9.861   0.234
  113    HB2  MET   0           HB2      MET   0   4.213  -9.921   2.900
  114    HB3  MET   0           HB3      MET   0   4.767  -9.334   1.328
  115    HG2  MET   0           HG2      MET   0   2.571  -7.721   1.749
  116    HG3  MET   0           HG3      MET   0   3.110  -8.008   3.402
  117    HE1  MET   0           HE1      MET   0   6.437  -8.186   2.525
  118    HE2  MET   0           HE2      MET   0   6.789  -6.547   3.132
  119    HE3  MET   0           HE3      MET   0   5.701  -7.638   4.058
  120    H    GLU   1           H        GLU   1   2.281 -12.075   2.961
  121    HA   GLU   1           HA       GLU   1   3.888 -14.244   2.040
  122    HB2  GLU   1           HB2      GLU   1   2.874 -13.998   4.309
  123    HB3  GLU   1           HB3      GLU   1   1.276 -14.197   3.603
  124    HG2  GLU   1           HG2      GLU   1   1.883 -16.225   4.659
  125    HG3  GLU   1           HG3      GLU   1   1.863 -16.519   2.929
  126    H    GLY   2           H        GLY   2   0.777 -13.052   0.927
  127    HA2  GLY   2           HA2      GLY   2   0.300 -15.301  -0.930
  128    HA3  GLY   2           HA3      GLY   2  -0.690 -13.861  -0.721
  129    H    GLY   3           H        GLY   3   2.612 -13.017  -1.024
  130    HA2  GLY   3           HA2      GLY   3   2.386 -11.980  -3.742
  131    HA3  GLY   3           HA3      GLY   3   3.800 -11.940  -2.694
  132    H    GLY   4           H        GLY   4   3.999 -12.503  -5.414
  133    HA2  GLY   4           HA2      GLY   4   5.169 -13.926  -6.821
  134    HA3  GLY   4           HA3      GLY   4   5.369 -15.069  -5.491
  135    H    GLU   5           H        GLU   5   3.207 -16.163  -4.843
  136    HA   GLU   5           HA       GLU   5   1.863 -17.334  -7.198
  137    HB2  GLU   5           HB2      GLU   5   1.605 -17.936  -4.225
  138    HB3  GLU   5           HB3      GLU   5   0.786 -18.813  -5.533
  139    HG2  GLU   5           HG2      GLU   5   3.021 -19.371  -6.515
  140    HG3  GLU   5           HG3      GLU   5   3.793 -18.645  -5.102
  141    H    ASN   6           H        ASN   6   1.393 -14.613  -6.975
  142    HA   ASN   6           HA       ASN   6  -1.063 -14.066  -5.491
  143    HB2  ASN   6           HB2      ASN   6   1.037 -12.598  -5.659
  144    HB3  ASN   6           HB3      ASN   6   0.555 -12.227  -7.317
  145   HD21  ASN   6          HD21      ASN   6  -0.583 -12.167  -3.925
  146   HD22  ASN   6          HD22      ASN   6  -1.623 -10.755  -4.135
  147    H    LEU   7           H        LEU   7  -2.787 -12.703  -6.536
  148    HA   LEU   7           HA       LEU   7  -3.996 -13.861  -8.889
  149    HB2  LEU   7           HB2      LEU   7  -4.467 -11.328  -7.259
  150    HB3  LEU   7           HB3      LEU   7  -5.449 -11.730  -8.660
  151    HG   LEU   7           HG       LEU   7  -5.188 -13.547  -6.227
  152   HD11  LEU   7          HD11      LEU   7  -7.436 -12.753  -5.630
  153   HD12  LEU   7          HD12      LEU   7  -7.417 -11.621  -7.001
  154   HD13  LEU   7          HD13      LEU   7  -6.281 -11.415  -5.653
  155   HD21  LEU   7          HD21      LEU   7  -7.029 -13.555  -8.664
  156   HD22  LEU   7          HD22      LEU   7  -7.309 -14.520  -7.210
  157   HD23  LEU   7          HD23      LEU   7  -5.868 -14.819  -8.191
  158    H    TYR   8           H        TYR   8  -1.691 -11.200  -8.470
  159    HA   TYR   8           HA       TYR   8  -2.021  -9.899 -10.898
  160    HB2  TYR   8           HB2      TYR   8  -0.608  -8.848  -9.450
  161    HB3  TYR   8           HB3      TYR   8   0.368 -10.287  -9.179
  162    HD1  TYR   8           HD1      TYR   8  -0.283  -7.496 -11.528
  163    HD2  TYR   8           HD2      TYR   8   2.161 -10.954 -10.686
  164    HE1  TYR   8           HE1      TYR   8   1.297  -6.826 -13.336
  165    HE2  TYR   8           HE2      TYR   8   3.736 -10.281 -12.492
  166    HH   TYR   8           HH       TYR   8   4.166  -8.796 -14.187
  167    H    PHE   9           H        PHE   9  -1.502 -10.039 -12.996
  168    HA   PHE   9           HA       PHE   9  -1.383 -11.092 -14.933
  169    HB2  PHE   9           HB2      PHE   9   0.836 -10.780 -14.910
  170    HB3  PHE   9           HB3      PHE   9   1.134 -11.948 -13.652
  171    HD1  PHE   9           HD2      PHE   9   0.613 -11.540 -17.287
  172    HD2  PHE   9           HD1      PHE   9   1.505 -14.296 -14.090
  173    HE1  PHE   9           HE2      PHE   9   1.363 -13.230 -18.950
  174    HE2  PHE   9           HE1      PHE   9   2.252 -15.984 -15.755
  175    HZ   PHE   9           HZ       PHE   9   2.181 -15.453 -18.185
  176    H    GLN  10           H        GLN  10  -2.721 -12.723 -12.592
  177    HA   GLN  10           HA       GLN  10  -3.826 -14.622 -12.262
  178    HB2  GLN  10           HB2      GLN  10  -4.233 -14.639 -15.270
  179    HB3  GLN  10           HB3      GLN  10  -5.127 -15.605 -14.087
  180    HG2  GLN  10           HG2      GLN  10  -5.898 -13.511 -12.969
  181    HG3  GLN  10           HG3      GLN  10  -5.097 -12.561 -14.223
  182   HE21  GLN  10          HE21      GLN  10  -7.659 -11.953 -14.038
  183   HE22  GLN  10          HE22      GLN  10  -8.607 -12.737 -15.296
  184    H    GLY  11           H        GLY  11  -0.986 -14.841 -12.422
  185    HA2  GLY  11           HA2      GLY  11  -0.138 -17.191 -13.832
  186    HA3  GLY  11           HA3      GLY  11   0.715 -16.383 -12.515
  187    H    MET  12           H        MET  12  -1.760 -16.847 -10.760
  188    HA   MET  12           HA       MET  12  -1.750 -19.769 -10.315
  189    HB2  MET  12           HB2      MET  12  -0.762 -17.677  -8.358
  190    HB3  MET  12           HB3      MET  12  -1.471 -19.176  -7.775
  191    HG2  MET  12           HG2      MET  12   0.920 -19.001  -9.638
  192    HG3  MET  12           HG3      MET  12   0.998 -19.264  -7.907
  193    HE1  MET  12           HE1      MET  12  -1.233 -21.390  -7.176
  194    HE2  MET  12           HE2      MET  12  -0.277 -22.871  -7.362
  195    HE3  MET  12           HE3      MET  12   0.462 -21.428  -6.638
  196    H    SER  13           H        SER  13  -3.378 -20.497  -8.819
  197    HA   SER  13           HA       SER  13  -5.967 -19.447  -9.307
  198    HB2  SER  13           HB2      SER  13  -5.012 -21.355  -7.135
  199    HB3  SER  13           HB3      SER  13  -6.697 -21.124  -7.631
  200    HG   SER  13           HG       SER  13  -6.227 -21.973  -9.642
  201    H    VAL  14           H        VAL  14  -7.588 -18.831  -7.719
  202    HA   VAL  14           HA       VAL  14  -6.932 -16.503  -6.314
  203    HB   VAL  14           HB       VAL  14  -9.393 -18.188  -5.819
  204   HG11  VAL  14          HG11      VAL  14  -9.112 -16.287  -4.245
  205   HG12  VAL  14          HG12      VAL  14  -8.983 -15.169  -5.622
  206   HG13  VAL  14          HG13      VAL  14 -10.489 -16.053  -5.321
  207   HG21  VAL  14          HG21      VAL  14  -8.904 -16.137  -8.014
  208   HG22  VAL  14          HG22      VAL  14  -9.241 -17.869  -8.231
  209   HG23  VAL  14          HG23      VAL  14 -10.488 -16.809  -7.581
  210    HA   PRO  15           HA       PRO  15  -5.357 -18.217  -2.472
  211    HB2  PRO  15           HB2      PRO  15  -5.147 -15.936  -0.962
  212    HB3  PRO  15           HB3      PRO  15  -4.035 -16.339  -2.306
  213    HG2  PRO  15           HG2      PRO  15  -6.463 -14.521  -2.383
  214    HG3  PRO  15           HG3      PRO  15  -4.817 -14.209  -3.025
  215    HD2  PRO  15           HD2      PRO  15  -6.835 -15.079  -4.619
  216    HD3  PRO  15           HD3      PRO  15  -5.151 -15.633  -4.863
  217    H    THR  16           H        THR  16  -6.323 -19.159  -0.742
  218    HA   THR  16           HA       THR  16  -9.107 -18.880  -0.372
  219    HB   THR  16           HB       THR  16  -7.525 -20.374   1.654
  220    HG1  THR  16           HG1      THR  16  -7.284 -22.054   0.205
  221   HG21  THR  16          HG21      THR  16  -9.339 -22.006   1.363
  222   HG22  THR  16          HG22      THR  16 -10.045 -21.022   0.061
  223   HG23  THR  16          HG23      THR  16 -10.003 -20.408   1.730
  224    H    ASP  17           H        ASP  17  -6.529 -18.003   1.921
  225    HA   ASP  17           HA       ASP  17  -8.090 -15.912   3.206
  226    HB2  ASP  17           HB2      ASP  17  -8.963 -18.166   4.171
  227    HB3  ASP  17           HB3      ASP  17  -7.350 -18.397   4.837
  228    H    GLY  18           H        GLY  18  -6.709 -15.086   5.124
  229    HA2  GLY  18           HA2      GLY  18  -3.882 -14.811   4.453
  230    HA3  GLY  18           HA3      GLY  18  -4.693 -14.200   5.894
  231    H    ALA  19           H        ALA  19  -2.084 -15.601   5.609
  232    HA   ALA  19           HA       ALA  19  -2.267 -18.288   6.517
  233    HB1  ALA  19           HB1      ALA  19   0.146 -18.065   6.941
  234    HB2  ALA  19           HB2      ALA  19  -0.301 -17.356   5.379
  235    HB3  ALA  19           HB3      ALA  19   0.030 -16.303   6.776
  236    H    VAL  20           H        VAL  20  -2.335 -19.242   8.468
  237    HA   VAL  20           HA       VAL  20  -2.152 -17.631  10.949
  238    HB   VAL  20           HB       VAL  20  -4.511 -17.742   9.963
  239   HG11  VAL  20          HG11      VAL  20  -4.502 -20.498  11.270
  240   HG12  VAL  20          HG12      VAL  20  -5.881 -19.649  10.549
  241   HG13  VAL  20          HG13      VAL  20  -4.550 -20.195   9.517
  242   HG21  VAL  20          HG21      VAL  20  -3.996 -16.915  12.225
  243   HG22  VAL  20          HG22      VAL  20  -5.557 -17.742  12.128
  244   HG23  VAL  20          HG23      VAL  20  -4.172 -18.565  12.865
  245    H    THR  21           H        THR  21  -1.221 -20.503   9.489
  246    HA   THR  21           HA       THR  21  -1.124 -22.246  11.839
  247    HB   THR  21           HB       THR  21   0.511 -23.514  10.293
  248    HG1  THR  21           HG1      THR  21   1.189 -22.181   8.785
  249   HG21  THR  21          HG21      THR  21  -2.277 -22.902   9.209
  250   HG22  THR  21          HG22      THR  21  -1.881 -24.101  10.463
  251   HG23  THR  21          HG23      THR  21  -1.276 -24.317   8.813
  252    H    THR  22           H        THR  22   0.734 -22.753  13.045
  253    HA   THR  22           HA       THR  22   2.830 -20.731  13.407
  254    HB   THR  22           HB       THR  22   3.781 -22.634  14.874
  255    HG1  THR  22           HG1      THR  22   2.334 -24.295  15.341
  256   HG21  THR  22          HG21      THR  22   2.107 -22.322  16.647
  257   HG22  THR  22          HG22      THR  22   0.933 -21.705  15.463
  258   HG23  THR  22          HG23      THR  22   2.417 -20.792  15.812
  259    H    SER  23           H        SER  23   2.547 -23.996  11.928
  260    HA   SER  23           HA       SER  23   5.232 -24.153  10.896
  261    HB2  SER  23           HB2      SER  23   2.654 -25.487   9.976
  262    HB3  SER  23           HB3      SER  23   4.280 -25.900   9.398
  263    HG   SER  23           HG       SER  23   3.603 -27.265  11.117
  264    H    GLN  24           H        GLN  24   6.046 -23.752   8.843
  265    HA   GLN  24           HA       GLN  24   4.427 -22.388   6.789
  266    HB2  GLN  24           HB2      GLN  24   5.147 -20.600   8.365
  267    HB3  GLN  24           HB3      GLN  24   6.830 -21.089   8.136
  268    HG2  GLN  24           HG2      GLN  24   6.650 -20.474   5.715
  269    HG3  GLN  24           HG3      GLN  24   4.965 -20.012   5.975
  270   HE21  GLN  24          HE21      GLN  24   5.355 -17.789   5.340
  271   HE22  GLN  24          HE22      GLN  24   6.331 -16.731   6.356
  272    H    ILE  25           H        ILE  25   5.111 -22.943   4.780
  273    HA   ILE  25           HA       ILE  25   7.439 -24.689   4.466
  274    HB   ILE  25           HB       ILE  25   6.738 -24.851   2.105
  275   HG12  ILE  25          HG12      ILE  25   4.302 -23.176   2.872
  276   HG13  ILE  25          HG13      ILE  25   5.665 -22.563   1.934
  277   HG21  ILE  25          HG21      ILE  25   4.795 -26.240   2.560
  278   HG22  ILE  25          HG22      ILE  25   5.930 -26.385   3.900
  279   HG23  ILE  25          HG23      ILE  25   4.475 -25.382   4.081
  280   HD11  ILE  25          HD11      ILE  25   3.789 -24.799   1.086
  281   HD12  ILE  25          HD12      ILE  25   3.902 -23.165   0.416
  282   HD13  ILE  25          HD13      ILE  25   5.249 -24.299   0.194
  283    HA   PRO  26           HA       PRO  26  10.379 -21.669   3.083
  284    HB2  PRO  26           HB2      PRO  26  11.114 -23.576   0.866
  285    HB3  PRO  26           HB3      PRO  26  12.179 -22.736   2.035
  286    HG2  PRO  26           HG2      PRO  26  11.573 -25.351   2.387
  287    HG3  PRO  26           HG3      PRO  26  11.550 -24.236   3.793
  288    HD2  PRO  26           HD2      PRO  26   9.204 -25.202   2.128
  289    HD3  PRO  26           HD3      PRO  26   9.381 -25.134   3.907
  290    H    ALA  27           H        ALA  27  10.376 -19.898   1.766
  291    HA   ALA  27           HA       ALA  27   8.459 -19.665  -0.435
  292    HB1  ALA  27           HB1      ALA  27  10.500 -17.700   0.691
  293    HB2  ALA  27           HB2      ALA  27   9.206 -17.319  -0.463
  294    HB3  ALA  27           HB3      ALA  27   8.794 -17.835   1.184
  295    H    SER  28           H        SER  28   8.999 -19.046  -2.599
  296    HA   SER  28           HA       SER  28  11.350 -20.325  -3.753
  297    HB2  SER  28           HB2      SER  28   9.236 -20.275  -4.963
  298    HB3  SER  28           HB3      SER  28   9.266 -18.500  -4.999
  299    HG   SER  28           HG       SER  28  10.087 -19.639  -6.917
  300    H    GLU  29           H        GLU  29  13.163 -19.399  -4.628
  301    HA   GLU  29           HA       GLU  29  13.929 -16.682  -3.771
  302    HB2  GLU  29           HB2      GLU  29  16.124 -17.249  -4.579
  303    HB3  GLU  29           HB3      GLU  29  15.504 -18.538  -3.545
  304    HG2  GLU  29           HG2      GLU  29  14.911 -19.867  -5.577
  305    HG3  GLU  29           HG3      GLU  29  15.570 -18.585  -6.597
  306    H    GLN  30           H        GLN  30  12.248 -17.880  -6.449
  307    HA   GLN  30           HA       GLN  30  13.436 -16.251  -8.538
  308    HB2  GLN  30           HB2      GLN  30  10.752 -17.672  -8.397
  309    HB3  GLN  30           HB3      GLN  30  11.425 -16.890  -9.834
  310    HG2  GLN  30           HG2      GLN  30  13.398 -18.412  -9.738
  311    HG3  GLN  30           HG3      GLN  30  12.687 -19.243  -8.354
  312   HE21  GLN  30          HE21      GLN  30  13.230 -20.950 -10.265
  313   HE22  GLN  30          HE22      GLN  30  11.807 -21.356 -11.219
  314    H    GLU  31           H        GLU  31  12.545 -14.456  -9.608
  315    HA   GLU  31           HA       GLU  31  10.586 -12.760  -8.135
  316    HB2  GLU  31           HB2      GLU  31  13.390 -11.947  -8.981
  317    HB3  GLU  31           HB3      GLU  31  12.127 -10.815  -8.482
  318    HG2  GLU  31           HG2      GLU  31  12.020 -11.866  -6.257
  319    HG3  GLU  31           HG3      GLU  31  13.274 -13.021  -6.723
  320    H    THR  32           H        THR  32   9.385 -11.389  -9.374
  321    HA   THR  32           HA       THR  32  10.024 -11.047 -12.217
  322    HB   THR  32           HB       THR  32   7.155 -11.555 -11.655
  323    HG1  THR  32           HG1      THR  32   7.420 -13.719 -12.109
  324   HG21  THR  32          HG21      THR  32   8.947 -12.066 -14.066
  325   HG22  THR  32          HG22      THR  32   7.822 -10.701 -13.864
  326   HG23  THR  32          HG23      THR  32   7.193 -12.348 -13.990
  327    H    LEU  33           H        LEU  33   9.746  -9.113 -13.071
  328    HA   LEU  33           HA       LEU  33   8.968  -6.959 -11.232
  329    HB2  LEU  33           HB2      LEU  33  10.121  -6.832 -14.036
  330    HB3  LEU  33           HB3      LEU  33   9.935  -5.471 -12.934
  331    HG   LEU  33           HG       LEU  33  11.744  -7.888 -12.440
  332   HD11  LEU  33          HD11      LEU  33  12.422  -5.046 -13.283
  333   HD12  LEU  33          HD12      LEU  33  12.527  -6.496 -14.301
  334   HD13  LEU  33          HD13      LEU  33  13.585  -6.331 -12.891
  335   HD21  LEU  33          HD21      LEU  33  11.015  -6.864 -10.315
  336   HD22  LEU  33          HD22      LEU  33  11.493  -5.257 -10.918
  337   HD23  LEU  33          HD23      LEU  33  12.716  -6.516 -10.636
  338    H    VAL  34           H        VAL  34   7.324  -5.602 -11.399
  339    HA   VAL  34           HA       VAL  34   5.170  -6.256 -13.341
  340    HB   VAL  34           HB       VAL  34   3.585  -5.877 -11.743
  341   HG11  VAL  34          HG11      VAL  34   4.166  -7.268  -9.876
  342   HG12  VAL  34          HG12      VAL  34   5.038  -7.894 -11.285
  343   HG13  VAL  34          HG13      VAL  34   5.892  -6.922 -10.064
  344   HG21  VAL  34          HG21      VAL  34   5.626  -4.403 -10.035
  345   HG22  VAL  34          HG22      VAL  34   4.186  -3.723 -10.813
  346   HG23  VAL  34          HG23      VAL  34   4.016  -4.879  -9.488
  347    H    ARG  35           H        ARG  35   7.118  -3.672 -12.478
  348    HA   ARG  35           HA       ARG  35   7.164  -1.441 -12.734
  349    HB2  ARG  35           HB2      ARG  35   7.628  -2.140 -14.987
  350    HB3  ARG  35           HB3      ARG  35   5.919  -2.213 -15.379
  351    HG2  ARG  35           HG2      ARG  35   7.024  -0.250 -16.339
  352    HG3  ARG  35           HG3      ARG  35   5.698   0.194 -15.279
  353    HD2  ARG  35           HD2      ARG  35   7.329   0.759 -13.478
  354    HD3  ARG  35           HD3      ARG  35   8.661   0.330 -14.577
  355    HE   ARG  35           HE       ARG  35   7.057   2.186 -15.946
  356   HH11  ARG  35          HH11      ARG  35   9.098   2.297 -13.073
  357   HH12  ARG  35          HH12      ARG  35   9.276   4.027 -13.201
  358   HH21  ARG  35          HH21      ARG  35   7.394   4.364 -16.043
  359   HH22  ARG  35          HH22      ARG  35   8.376   5.151 -14.846
  360    HA   PRO  36           HA       PRO  36   2.933  -0.426 -11.217
  361    HB2  PRO  36           HB2      PRO  36   3.730   1.104  -9.075
  362    HB3  PRO  36           HB3      PRO  36   3.575  -0.680  -9.017
  363    HG2  PRO  36           HG2      PRO  36   6.072   0.974  -9.447
  364    HG3  PRO  36           HG3      PRO  36   5.824  -0.435  -8.360
  365    HD2  PRO  36           HD2      PRO  36   6.985  -0.667 -10.806
  366    HD3  PRO  36           HD3      PRO  36   5.939  -1.958 -10.140
  367    H    LYS  37           H        LYS  37   1.851   1.646 -11.141
  368    HA   LYS  37           HA       LYS  37   2.621   3.549 -13.083
  369    HB2  LYS  37           HB2      LYS  37   0.721   3.861 -10.725
  370    HB3  LYS  37           HB3      LYS  37   0.894   5.046 -12.026
  371    HG2  LYS  37           HG2      LYS  37   0.311   3.214 -13.680
  372    HG3  LYS  37           HG3      LYS  37  -0.108   2.190 -12.309
  373    HD2  LYS  37           HD2      LYS  37  -1.413   4.820 -13.107
  374    HD3  LYS  37           HD3      LYS  37  -2.100   3.199 -13.241
  375    HE2  LYS  37           HE2      LYS  37  -1.981   3.020 -10.708
  376    HE3  LYS  37           HE3      LYS  37  -1.472   4.710 -10.663
  377    HZ1  LYS  37           HZ1      LYS  37  -3.579   5.290 -11.771
  378    HZ2  LYS  37           HZ2      LYS  37  -3.873   4.516 -10.364
  379    HZ3  LYS  37           HZ3      LYS  37  -4.047   3.722 -11.781
  380    HA   PRO  38           HA       PRO  38   5.686   6.156 -11.240
  381    HB2  PRO  38           HB2      PRO  38   4.111   8.460 -12.404
  382    HB3  PRO  38           HB3      PRO  38   5.878   8.162 -12.452
  383    HG2  PRO  38           HG2      PRO  38   4.368   7.576 -14.610
  384    HG3  PRO  38           HG3      PRO  38   5.603   6.396 -14.055
  385    HD2  PRO  38           HD2      PRO  38   2.616   6.369 -13.545
  386    HD3  PRO  38           HD3      PRO  38   3.702   5.035 -14.042
  387    H    LEU  39           H        LEU  39   2.299   7.205 -10.744
  388    HA   LEU  39           HA       LEU  39   2.752   8.862  -8.478
  389    HB2  LEU  39           HB2      LEU  39   0.702   8.814  -9.925
  390    HB3  LEU  39           HB3      LEU  39   0.286   7.243  -9.238
  391    HG   LEU  39           HG       LEU  39   0.130   8.336  -6.969
  392   HD11  LEU  39          HD11      LEU  39   1.528  10.318  -7.312
  393   HD12  LEU  39          HD12      LEU  39  -0.120  10.819  -6.917
  394   HD13  LEU  39          HD13      LEU  39   0.443  10.895  -8.600
  395   HD21  LEU  39          HD21      LEU  39  -1.871   7.965  -8.399
  396   HD22  LEU  39          HD22      LEU  39  -1.652   9.583  -9.095
  397   HD23  LEU  39          HD23      LEU  39  -2.025   9.391  -7.364
  398    H    LEU  40           H        LEU  40   2.171   5.332  -8.690
  399    HA   LEU  40           HA       LEU  40   2.188   4.930  -5.811
  400    HB2  LEU  40           HB2      LEU  40   1.032   3.372  -7.329
  401    HB3  LEU  40           HB3      LEU  40   2.537   2.996  -8.142
  402    HG   LEU  40           HG       LEU  40   3.442   1.901  -6.159
  403   HD11  LEU  40          HD11      LEU  40   0.827   2.666  -4.787
  404   HD12  LEU  40          HD12      LEU  40   2.446   3.260  -4.353
  405   HD13  LEU  40          HD13      LEU  40   2.052   1.559  -4.128
  406   HD21  LEU  40          HD21      LEU  40   0.565   1.064  -6.661
  407   HD22  LEU  40          HD22      LEU  40   1.816   0.054  -5.948
  408   HD23  LEU  40          HD23      LEU  40   1.957   0.572  -7.638
  409    H    LEU  41           H        LEU  41   4.573   4.536  -8.460
  410    HA   LEU  41           HA       LEU  41   6.744   3.603  -6.941
  411    HB2  LEU  41           HB2      LEU  41   6.783   3.647  -9.345
  412    HB3  LEU  41           HB3      LEU  41   6.639   5.401  -9.372
  413    HG   LEU  41           HG       LEU  41   8.860   5.681  -8.422
  414   HD11  LEU  41          HD11      LEU  41   9.010   2.635  -8.485
  415   HD12  LEU  41          HD12      LEU  41   9.109   3.662  -7.034
  416   HD13  LEU  41          HD13      LEU  41  10.400   3.714  -8.228
  417   HD21  LEU  41          HD21      LEU  41   8.582   5.478 -10.874
  418   HD22  LEU  41          HD22      LEU  41   8.859   3.722 -10.750
  419   HD23  LEU  41          HD23      LEU  41  10.157   4.870 -10.338
  420    H    LYS  42           H        LYS  42   5.751   7.030  -7.418
  421    HA   LYS  42           HA       LYS  42   7.791   8.205  -5.807
  422    HB2  LYS  42           HB2      LYS  42   6.290   9.415  -7.371
  423    HB3  LYS  42           HB3      LYS  42   4.905   9.076  -6.333
  424    HG2  LYS  42           HG2      LYS  42   5.875  10.462  -4.525
  425    HG3  LYS  42           HG3      LYS  42   7.332  10.717  -5.497
  426    HD2  LYS  42           HD2      LYS  42   5.947  12.680  -5.622
  427    HD3  LYS  42           HD3      LYS  42   5.955  11.893  -7.211
  428    HE2  LYS  42           HE2      LYS  42   3.737  10.891  -6.727
  429    HE3  LYS  42           HE3      LYS  42   3.752  11.609  -5.111
  430    HZ1  LYS  42           HZ1      LYS  42   3.774  13.812  -6.165
  431    HZ2  LYS  42           HZ2      LYS  42   2.471  12.972  -6.667
  432    HZ3  LYS  42           HZ3      LYS  42   3.757  13.149  -7.658
  433    H    LEU  43           H        LEU  43   4.707   6.759  -4.792
  434    HA   LEU  43           HA       LEU  43   4.923   7.512  -2.005
  435    HB2  LEU  43           HB2      LEU  43   2.852   6.783  -3.067
  436    HB3  LEU  43           HB3      LEU  43   3.476   5.166  -3.306
  437    HG   LEU  43           HG       LEU  43   3.337   6.324  -0.521
  438   HD11  LEU  43          HD11      LEU  43   1.101   5.361  -0.299
  439   HD12  LEU  43          HD12      LEU  43   1.088   4.919  -2.024
  440   HD13  LEU  43          HD13      LEU  43   1.110   6.626  -1.517
  441   HD21  LEU  43          HD21      LEU  43   2.924   3.916   0.053
  442   HD22  LEU  43          HD22      LEU  43   4.493   4.145  -0.693
  443   HD23  LEU  43          HD23      LEU  43   3.157   3.485  -1.654
  444    H    LEU  44           H        LEU  44   6.227   4.752  -3.891
  445    HA   LEU  44           HA       LEU  44   7.610   3.572  -1.636
  446    HB2  LEU  44           HB2      LEU  44   8.661   3.274  -4.427
  447    HB3  LEU  44           HB3      LEU  44   8.641   2.117  -3.106
  448    HG   LEU  44           HG       LEU  44   6.275   2.934  -4.807
  449   HD11  LEU  44          HD11      LEU  44   7.842   0.342  -4.752
  450   HD12  LEU  44          HD12      LEU  44   7.912   1.580  -6.019
  451   HD13  LEU  44          HD13      LEU  44   6.404   0.693  -5.743
  452   HD21  LEU  44          HD21      LEU  44   4.952   1.283  -3.748
  453   HD22  LEU  44          HD22      LEU  44   5.681   2.197  -2.419
  454   HD23  LEU  44          HD23      LEU  44   6.335   0.610  -2.884
  455    H    LYS  45           H        LYS  45   8.628   6.014  -4.093
  456    HA   LYS  45           HA       LYS  45  11.290   6.394  -3.129
  457    HB2  LYS  45           HB2      LYS  45   9.495   8.585  -4.273
  458    HB3  LYS  45           HB3      LYS  45  11.235   8.615  -4.127
  459    HG2  LYS  45           HG2      LYS  45   9.591   7.049  -6.111
  460    HG3  LYS  45           HG3      LYS  45  10.844   8.254  -6.380
  461    HD2  LYS  45           HD2      LYS  45  12.355   6.473  -5.146
  462    HD3  LYS  45           HD3      LYS  45  11.032   5.365  -5.613
  463    HE2  LYS  45           HE2      LYS  45  11.379   6.022  -8.000
  464    HE3  LYS  45           HE3      LYS  45  12.624   7.171  -7.489
  465    HZ1  LYS  45           HZ1      LYS  45  13.726   5.096  -6.460
  466    HZ2  LYS  45           HZ2      LYS  45  13.847   5.290  -8.088
  467    HZ3  LYS  45           HZ3      LYS  45  12.791   4.218  -7.458
  468    H    SER  46           H        SER  46   8.281   7.700  -1.864
  469    HA   SER  46           HA       SER  46   9.397   9.555   0.008
  470    HB2  SER  46           HB2      SER  46   6.787   7.999   0.172
  471    HB3  SER  46           HB3      SER  46   7.221   9.408   1.148
  472    HG   SER  46           HG       SER  46   7.012   9.333  -1.698
  473    H    VAL  47           H        VAL  47   9.428   6.109   0.085
  474    HA   VAL  47           HA       VAL  47  10.629   6.175   2.821
  475    HB   VAL  47           HB       VAL  47   9.972   3.844   3.139
  476   HG11  VAL  47          HG11      VAL  47   8.562   5.680   4.009
  477   HG12  VAL  47          HG12      VAL  47   7.578   5.614   2.532
  478   HG13  VAL  47          HG13      VAL  47   7.643   4.216   3.627
  479   HG21  VAL  47          HG21      VAL  47   8.200   4.132   0.679
  480   HG22  VAL  47          HG22      VAL  47   9.722   3.223   0.700
  481   HG23  VAL  47          HG23      VAL  47   8.373   2.721   1.739
  482    H    GLY  48           H        GLY  48  11.811   6.583   0.054
  483    HA2  GLY  48           HA2      GLY  48  14.013   6.453  -0.534
  484    HA3  GLY  48           HA3      GLY  48  14.308   5.332   0.790
  485    H    ALA  49           H        ALA  49  11.918   4.454  -1.678
  486    HA   ALA  49           HA       ALA  49  13.213   2.028  -2.347
  487    HB1  ALA  49           HB1      ALA  49  11.358   1.827  -3.904
  488    HB2  ALA  49           HB2      ALA  49  10.798   2.586  -2.439
  489    HB3  ALA  49           HB3      ALA  49  11.099   3.587  -3.891
  490    H    GLN  50           H        GLN  50  14.951   1.612  -3.615
  491    HA   GLN  50           HA       GLN  50  16.250   3.808  -4.973
  492    HB2  GLN  50           HB2      GLN  50  17.387   2.205  -3.532
  493    HB3  GLN  50           HB3      GLN  50  17.084   0.896  -4.663
  494    HG2  GLN  50           HG2      GLN  50  18.581   3.429  -5.488
  495    HG3  GLN  50           HG3      GLN  50  19.399   2.136  -4.630
  496   HE21  GLN  50          HE21      GLN  50  20.196   2.995  -7.228
  497   HE22  GLN  50          HE22      GLN  50  19.921   1.634  -8.307
  498    H    LYS  51           H        LYS  51  14.884   0.738  -6.204
  499    HA   LYS  51           HA       LYS  51  15.639   1.192  -8.988
  500    HB2  LYS  51           HB2      LYS  51  13.564  -0.738  -7.887
  501    HB3  LYS  51           HB3      LYS  51  14.356  -0.816  -9.452
  502    HG2  LYS  51           HG2      LYS  51  16.534  -1.235  -8.322
  503    HG3  LYS  51           HG3      LYS  51  15.704  -1.276  -6.757
  504    HD2  LYS  51           HD2      LYS  51  15.112  -3.127  -9.110
  505    HD3  LYS  51           HD3      LYS  51  16.127  -3.540  -7.720
  506    HE2  LYS  51           HE2      LYS  51  14.217  -3.290  -6.191
  507    HE3  LYS  51           HE3      LYS  51  13.185  -2.765  -7.526
  508    HZ1  LYS  51           HZ1      LYS  51  14.411  -5.453  -7.289
  509    HZ2  LYS  51           HZ2      LYS  51  13.476  -4.942  -8.541
  510    HZ3  LYS  51           HZ3      LYS  51  12.836  -5.106  -7.045
  511    H    ASP  52           H        ASP  52  13.952   1.059 -10.712
  512    HA   ASP  52           HA       ASP  52  11.470   2.568 -10.105
  513    HB2  ASP  52           HB2      ASP  52  11.478   3.296 -12.493
  514    HB3  ASP  52           HB3      ASP  52  12.661   4.003 -11.409
  515    H    THR  53           H        THR  53  12.327  -0.458 -10.492
  516    HA   THR  53           HA       THR  53   9.657  -1.347 -11.487
  517    HB   THR  53           HB       THR  53  11.015  -3.342 -12.488
  518    HG1  THR  53           HG1      THR  53  13.038  -2.676 -13.355
  519   HG21  THR  53          HG21      THR  53   9.711  -1.792 -13.856
  520   HG22  THR  53          HG22      THR  53  11.204  -2.274 -14.674
  521   HG23  THR  53          HG23      THR  53  11.087  -0.664 -13.922
  522    H    TYR  54           H        TYR  54   8.940  -3.130 -10.374
  523    HA   TYR  54           HA       TYR  54  10.554  -4.332  -8.210
  524    HB2  TYR  54           HB2      TYR  54   8.078  -2.617  -7.853
  525    HB3  TYR  54           HB3      TYR  54   8.693  -3.686  -6.607
  526    HD1  TYR  54           HD1      TYR  54  11.094  -3.365  -5.762
  527    HD2  TYR  54           HD2      TYR  54   8.958  -0.410  -8.064
  528    HE1  TYR  54           HE1      TYR  54  12.695  -1.617  -4.995
  529    HE2  TYR  54           HE2      TYR  54  10.575   1.327  -7.300
  530    HH   TYR  54           HH       TYR  54  12.599   1.656  -6.324
  531    H    THR  55           H        THR  55   9.561  -6.108  -7.074
  532    HA   THR  55           HA       THR  55   7.521  -7.581  -8.606
  533    HB   THR  55           HB       THR  55   7.850  -9.445  -7.396
  534    HG1  THR  55           HG1      THR  55   8.764  -9.439  -5.305
  535   HG21  THR  55          HG21      THR  55  10.190  -9.889  -7.086
  536   HG22  THR  55          HG22      THR  55  10.570  -8.167  -6.936
  537   HG23  THR  55          HG23      THR  55  10.030  -8.824  -8.494
  538    H    MET  56           H        MET  56   5.464  -8.450  -7.559
  539    HA   MET  56           HA       MET  56   3.895  -6.421  -6.364
  540    HB2  MET  56           HB2      MET  56   3.626  -9.454  -6.186
  541    HB3  MET  56           HB3      MET  56   2.423  -8.326  -5.581
  542    HG2  MET  56           HG2      MET  56   3.259  -8.694  -8.459
  543    HG3  MET  56           HG3      MET  56   1.751  -9.140  -7.741
  544    HE1  MET  56           HE1      MET  56  -0.024  -7.838  -7.309
  545    HE2  MET  56           HE2      MET  56   0.790  -6.790  -6.131
  546    HE3  MET  56           HE3      MET  56  -0.241  -6.058  -7.401
  547    H    LYS  57           H        LYS  57   5.872  -8.924  -4.737
  548    HA   LYS  57           HA       LYS  57   5.028  -8.176  -2.055
  549    HB2  LYS  57           HB2      LYS  57   5.829 -10.410  -2.504
  550    HB3  LYS  57           HB3      LYS  57   7.403  -9.805  -3.046
  551    HG2  LYS  57           HG2      LYS  57   8.010  -9.082  -0.843
  552    HG3  LYS  57           HG3      LYS  57   6.346  -9.229  -0.256
  553    HD2  LYS  57           HD2      LYS  57   6.446 -11.675  -0.494
  554    HD3  LYS  57           HD3      LYS  57   8.112 -11.556  -1.114
  555    HE2  LYS  57           HE2      LYS  57   8.818 -10.514   1.029
  556    HE3  LYS  57           HE3      LYS  57   7.161 -10.622   1.635
  557    HZ1  LYS  57           HZ1      LYS  57   8.858 -12.949   0.896
  558    HZ2  LYS  57           HZ2      LYS  57   7.323 -13.051   1.451
  559    HZ3  LYS  57           HZ3      LYS  57   8.510 -12.484   2.419
  560    H    GLU  58           H        GLU  58   7.756  -7.152  -4.127
  561    HA   GLU  58           HA       GLU  58   9.016  -5.508  -2.105
  562    HB2  GLU  58           HB2      GLU  58   9.056  -5.434  -5.129
  563    HB3  GLU  58           HB3      GLU  58   9.985  -4.327  -4.107
  564    HG2  GLU  58           HG2      GLU  58  11.181  -6.186  -3.075
  565    HG3  GLU  58           HG3      GLU  58  10.257  -7.355  -4.024
  566    H    VAL  59           H        VAL  59   6.540  -4.706  -4.603
  567    HA   VAL  59           HA       VAL  59   6.285  -1.937  -3.853
  568    HB   VAL  59           HB       VAL  59   4.193  -3.759  -5.110
  569   HG11  VAL  59          HG11      VAL  59   3.157  -1.722  -5.922
  570   HG12  VAL  59          HG12      VAL  59   3.203  -1.685  -4.156
  571   HG13  VAL  59          HG13      VAL  59   4.363  -0.717  -5.084
  572   HG21  VAL  59          HG21      VAL  59   6.232  -3.553  -6.526
  573   HG22  VAL  59          HG22      VAL  59   4.881  -2.684  -7.241
  574   HG23  VAL  59          HG23      VAL  59   6.162  -1.795  -6.380
  575    H    LEU  60           H        LEU  60   4.351  -4.824  -2.821
  576    HA   LEU  60           HA       LEU  60   2.771  -3.486  -0.882
  577    HB2  LEU  60           HB2      LEU  60   3.807  -6.336  -1.051
  578    HB3  LEU  60           HB3      LEU  60   2.730  -5.799   0.231
  579    HG   LEU  60           HG       LEU  60   1.948  -5.576  -2.695
  580   HD11  LEU  60          HD11      LEU  60   1.334  -7.783  -0.677
  581   HD12  LEU  60          HD12      LEU  60   2.365  -7.942  -2.115
  582   HD13  LEU  60          HD13      LEU  60   0.634  -7.633  -2.306
  583   HD21  LEU  60          HD21      LEU  60   0.357  -5.519  -0.089
  584   HD22  LEU  60          HD22      LEU  60  -0.340  -5.502  -1.720
  585   HD23  LEU  60          HD23      LEU  60   0.644  -4.142  -1.172
  586    H    PHE  61           H        PHE  61   6.056  -4.978  -0.426
  587    HA   PHE  61           HA       PHE  61   6.297  -4.440   2.290
  588    HB2  PHE  61           HB2      PHE  61   7.917  -5.840   1.360
  589    HB3  PHE  61           HB3      PHE  61   8.335  -4.690   0.114
  590    HD1  PHE  61           HD1      PHE  61   8.777  -5.478   3.712
  591    HD2  PHE  61           HD2      PHE  61   9.936  -2.906   0.446
  592    HE1  PHE  61           HE1      PHE  61  10.614  -4.545   5.095
  593    HE2  PHE  61           HE2      PHE  61  11.778  -1.988   1.829
  594    HZ   PHE  61           HZ       PHE  61  12.116  -2.796   4.158
  595    H    TYR  62           H        TYR  62   7.467  -2.317  -0.220
  596    HA   TYR  62           HA       TYR  62   8.065  -0.121   1.497
  597    HB2  TYR  62           HB2      TYR  62   7.546  -0.306  -1.439
  598    HB3  TYR  62           HB3      TYR  62   7.871   1.244  -0.666
  599    HD1  TYR  62           HD2      TYR  62  10.074   0.998   1.077
  600    HD2  TYR  62           HD1      TYR  62   9.340  -1.155  -2.590
  601    HE1  TYR  62           HE2      TYR  62  12.517   0.733   0.746
  602    HE2  TYR  62           HE1      TYR  62  11.774  -1.458  -2.893
  603    HH   TYR  62           HH       TYR  62  14.180  -0.198  -0.544
  604    H    LEU  63           H        LEU  63   5.010  -0.801  -0.207
  605    HA   LEU  63           HA       LEU  63   3.666   1.594   0.552
  606    HB2  LEU  63           HB2      LEU  63   2.943   0.164  -1.262
  607    HB3  LEU  63           HB3      LEU  63   2.746  -1.206  -0.171
  608    HG   LEU  63           HG       LEU  63   0.844  -0.113   0.940
  609   HD11  LEU  63          HD11      LEU  63   1.287   2.092  -1.121
  610   HD12  LEU  63          HD12      LEU  63   1.394   2.253   0.652
  611   HD13  LEU  63          HD13      LEU  63  -0.163   1.913  -0.116
  612   HD21  LEU  63          HD21      LEU  63   0.511  -1.550  -1.068
  613   HD22  LEU  63          HD22      LEU  63   0.625  -0.109  -2.099
  614   HD23  LEU  63          HD23      LEU  63  -0.705  -0.276  -0.944
  615    H    GLY  64           H        GLY  64   3.825  -1.618   2.179
  616    HA2  GLY  64           HA2      GLY  64   2.212  -0.961   4.449
  617    HA3  GLY  64           HA3      GLY  64   3.451  -2.213   4.367
  618    H    GLN  65           H        GLN  65   5.782  -0.722   3.954
  619    HA   GLN  65           HA       GLN  65   6.350   0.432   6.519
  620    HB2  GLN  65           HB2      GLN  65   7.814   0.540   3.859
  621    HB3  GLN  65           HB3      GLN  65   8.461   1.224   5.348
  622    HG2  GLN  65           HG2      GLN  65   7.695  -1.714   4.999
  623    HG3  GLN  65           HG3      GLN  65   9.323  -1.075   4.846
  624   HE21  GLN  65          HE21      GLN  65   7.594  -2.859   6.936
  625   HE22  GLN  65          HE22      GLN  65   8.275  -2.253   8.440
  626    H    TYR  66           H        TYR  66   5.180   1.951   3.504
  627    HA   TYR  66           HA       TYR  66   5.497   4.651   4.479
  628    HB2  TYR  66           HB2      TYR  66   5.436   4.261   2.130
  629    HB3  TYR  66           HB3      TYR  66   3.864   3.503   2.233
  630    HD1  TYR  66           HD2      TYR  66   1.801   4.897   2.863
  631    HD2  TYR  66           HD1      TYR  66   5.634   6.621   1.885
  632    HE1  TYR  66           HE2      TYR  66   0.721   7.108   2.459
  633    HE2  TYR  66           HE1      TYR  66   4.544   8.807   1.437
  634    HH   TYR  66           HH       TYR  66   2.560   9.946   1.296
  635    H    ILE  67           H        ILE  67   2.673   2.461   4.369
  636    HA   ILE  67           HA       ILE  67   0.796   4.071   5.759
  637    HB   ILE  67           HB       ILE  67   1.186   1.060   5.688
  638   HG12  ILE  67          HG12      ILE  67  -0.966   2.668   4.282
  639   HG13  ILE  67          HG13      ILE  67   0.626   2.448   3.551
  640   HG21  ILE  67          HG21      ILE  67  -0.145   1.486   7.672
  641   HG22  ILE  67          HG22      ILE  67  -1.147   2.664   6.809
  642   HG23  ILE  67          HG23      ILE  67  -1.250   0.956   6.408
  643   HD11  ILE  67          HD11      ILE  67   0.370  -0.000   3.601
  644   HD12  ILE  67          HD12      ILE  67  -1.256   0.178   4.300
  645   HD13  ILE  67          HD13      ILE  67  -0.912   0.784   2.674
  646    H    MET  68           H        MET  68   3.261   1.827   7.037
  647    HA   MET  68           HA       MET  68   2.731   2.138   9.801
  648    HB2  MET  68           HB2      MET  68   4.067   0.322   8.835
  649    HB3  MET  68           HB3      MET  68   5.316   1.477   8.348
  650    HG2  MET  68           HG2      MET  68   5.630   2.069  10.783
  651    HG3  MET  68           HG3      MET  68   4.519   0.762  11.191
  652    HE1  MET  68           HE1      MET  68   5.013  -1.763  10.780
  653    HE2  MET  68           HE2      MET  68   5.418  -1.563   9.056
  654    HE3  MET  68           HE3      MET  68   6.528  -2.430  10.136
  655    H    THR  69           H        THR  69   5.318   3.805   7.856
  656    HA   THR  69           HA       THR  69   6.074   5.438  10.057
  657    HB   THR  69           HB       THR  69   7.468   4.812   8.033
  658    HG1  THR  69           HG1      THR  69   8.329   6.117   9.547
  659   HG21  THR  69          HG21      THR  69   5.966   5.804   6.292
  660   HG22  THR  69          HG22      THR  69   7.620   6.424   6.236
  661   HG23  THR  69          HG23      THR  69   6.326   7.423   6.928
  662    H    LYS  70           H        LYS  70   3.730   6.088   7.532
  663    HA   LYS  70           HA       LYS  70   3.085   8.797   8.454
  664    HB2  LYS  70           HB2      LYS  70   1.767   6.823   6.563
  665    HB3  LYS  70           HB3      LYS  70   1.146   8.439   6.847
  666    HG2  LYS  70           HG2      LYS  70   4.034   8.145   5.981
  667    HG3  LYS  70           HG3      LYS  70   2.776   7.834   4.804
  668    HD2  LYS  70           HD2      LYS  70   2.995  10.431   6.382
  669    HD3  LYS  70           HD3      LYS  70   3.655  10.162   4.756
  670    HE2  LYS  70           HE2      LYS  70   1.342   9.518   3.981
  671    HE3  LYS  70           HE3      LYS  70   0.715   9.997   5.560
  672    HZ1  LYS  70           HZ1      LYS  70   2.098  11.798   3.650
  673    HZ2  LYS  70           HZ2      LYS  70   1.530  12.253   5.122
  674    HZ3  LYS  70           HZ3      LYS  70   0.492  11.771   3.947
  675    H    ARG  71           H        ARG  71   2.368   5.750   9.712
  676    HA   ARG  71           HA       ARG  71   0.860   4.827  11.106
  677    HB2  ARG  71           HB2      ARG  71   0.635   7.609  12.310
  678    HB3  ARG  71           HB3      ARG  71   0.256   6.064  13.079
  679    HG2  ARG  71           HG2      ARG  71   2.744   5.435  12.612
  680    HG3  ARG  71           HG3      ARG  71   2.975   7.160  12.294
  681    HD2  ARG  71           HD2      ARG  71   3.555   6.844  14.570
  682    HD3  ARG  71           HD3      ARG  71   1.943   7.584  14.600
  683    HE   ARG  71           HE       ARG  71   1.954   4.642  14.606
  684   HH11  ARG  71          HH11      ARG  71   1.975   7.394  16.782
  685   HH12  ARG  71          HH12      ARG  71   1.377   6.436  18.111
  686   HH21  ARG  71          HH22      ARG  71   1.279   3.511  16.274
  687   HH22  ARG  71          HH21      ARG  71   0.987   4.258  17.830
  688    H    LEU  72           H        LEU  72  -0.296   5.120   8.760
  689    HA   LEU  72           HA       LEU  72  -2.866   6.522   8.929
  690    HB2  LEU  72           HB2      LEU  72  -1.866   4.599   6.813
  691    HB3  LEU  72           HB3      LEU  72  -3.257   5.644   6.670
  692    HG   LEU  72           HG       LEU  72  -0.379   6.559   6.967
  693   HD11  LEU  72          HD11      LEU  72  -0.532   7.226   4.625
  694   HD12  LEU  72          HD12      LEU  72  -2.195   6.612   4.535
  695   HD13  LEU  72          HD13      LEU  72  -0.841   5.491   4.791
  696   HD21  LEU  72          HD21      LEU  72  -2.940   8.114   6.465
  697   HD22  LEU  72          HD22      LEU  72  -1.302   8.793   6.307
  698   HD23  LEU  72          HD23      LEU  72  -1.875   8.234   7.885
  699    H    TYR  73           H        TYR  73  -1.934   3.545  10.193
  700    HA   TYR  73           HA       TYR  73  -4.416   2.132   9.848
  701    HB2  TYR  73           HB2      TYR  73  -3.642   0.758  11.791
  702    HB3  TYR  73           HB3      TYR  73  -2.671   0.752  10.334
  703    HD1  TYR  73           HD1      TYR  73  -2.891   2.252  13.748
  704    HD2  TYR  73           HD2      TYR  73  -0.339   1.316  10.394
  705    HE1  TYR  73           HE1      TYR  73  -0.893   2.836  15.108
  706    HE2  TYR  73           HE2      TYR  73   1.661   1.889  11.770
  707    HH   TYR  73           HH       TYR  73   2.426   2.351  13.900
  708    H    ASP  74           H        ASP  74  -6.188   1.795  11.210
  709    HA   ASP  74           HA       ASP  74  -7.004   4.039  12.819
  710    HB2  ASP  74           HB2      ASP  74  -8.708   3.048  11.740
  711    HB3  ASP  74           HB3      ASP  74  -8.231   1.423  12.144
  712    H    GLU  75           H        GLU  75  -7.005   4.431  14.991
  713    HA   GLU  75           HA       GLU  75  -5.176   2.947  16.673
  714    HB2  GLU  75           HB2      GLU  75  -5.848   4.467  18.423
  715    HB3  GLU  75           HB3      GLU  75  -5.463   5.338  16.937
  716    HG2  GLU  75           HG2      GLU  75  -7.768   5.847  16.520
  717    HG3  GLU  75           HG3      GLU  75  -8.329   4.676  17.710
  718    H    LYS  76           H        LYS  76  -8.662   2.720  16.155
  719    HA   LYS  76           HA       LYS  76  -9.107   1.015  18.532
  720    HB2  LYS  76           HB2      LYS  76 -10.998   1.240  16.176
  721    HB3  LYS  76           HB3      LYS  76 -11.353   0.798  17.830
  722    HG2  LYS  76           HG2      LYS  76 -10.652   3.573  16.791
  723    HG3  LYS  76           HG3      LYS  76 -12.224   2.977  17.293
  724    HD2  LYS  76           HD2      LYS  76 -11.306   2.695  19.641
  725    HD3  LYS  76           HD3      LYS  76  -9.794   3.438  19.077
  726    HE2  LYS  76           HE2      LYS  76 -11.302   5.377  18.211
  727    HE3  LYS  76           HE3      LYS  76 -12.578   4.667  19.208
  728    HZ1  LYS  76           HZ1      LYS  76 -10.956   4.908  21.119
  729    HZ2  LYS  76           HZ2      LYS  76 -11.453   6.332  20.483
  730    HZ3  LYS  76           HZ3      LYS  76  -9.973   5.771  20.107
  731    H    GLN  77           H        GLN  77  -9.009   0.484  14.980
  732    HA   GLN  77           HA       GLN  77  -8.097  -2.330  15.488
  733    HB2  GLN  77           HB2      GLN  77 -10.159  -1.268  13.526
  734    HB3  GLN  77           HB3      GLN  77  -9.353  -2.807  13.282
  735    HG2  GLN  77           HG2      GLN  77 -11.016  -2.088  15.726
  736    HG3  GLN  77           HG3      GLN  77 -11.563  -3.038  14.349
  737   HE21  GLN  77          HE21      GLN  77 -11.704  -4.135  16.937
  738   HE22  GLN  77          HE22      GLN  77 -10.519  -5.431  17.036
  739    H    GLN  78           H        GLN  78  -5.945  -2.234  15.070
  740    HA   GLN  78           HA       GLN  78  -4.843  -0.592  12.999
  741    HB2  GLN  78           HB2      GLN  78  -3.621  -2.946  14.498
  742    HB3  GLN  78           HB3      GLN  78  -2.776  -1.892  13.360
  743    HG2  GLN  78           HG2      GLN  78  -3.529   0.084  14.829
  744    HG3  GLN  78           HG3      GLN  78  -3.931  -1.121  16.050
  745   HE21  GLN  78          HE21      GLN  78  -2.208   0.374  17.164
  746   HE22  GLN  78          HE22      GLN  78  -0.539  -0.149  16.968
  747    H    HIS  79           H        HIS  79  -6.453  -3.605  12.703
  748    HA   HIS  79           HA       HIS  79  -5.214  -4.368  10.183
  749    HB2  HIS  79           HB2      HIS  79  -6.644  -6.159  10.146
  750    HB3  HIS  79           HB3      HIS  79  -6.360  -5.903  11.863
  751    HD1  HIS  79           HD1      HIS  79  -8.580  -5.222  13.339
  752    HD2  HIS  79           HD2      HIS  79  -9.103  -5.861   9.206
  753    HE1  HIS  79           HE1      HIS  79 -11.071  -5.468  12.964
  754    H    ILE  80           H        ILE  80  -7.087  -1.708  10.873
  755    HA   ILE  80           HA       ILE  80  -8.145  -1.545   8.085
  756    HB   ILE  80           HB       ILE  80  -9.263  -0.143  10.530
  757   HG12  ILE  80          HG12      ILE  80 -10.300  -2.654   9.140
  758   HG13  ILE  80          HG13      ILE  80  -9.644  -2.563  10.774
  759   HG21  ILE  80          HG21      ILE  80 -11.135   0.449   9.070
  760   HG22  ILE  80          HG22      ILE  80  -9.647   1.005   8.333
  761   HG23  ILE  80          HG23      ILE  80 -10.427  -0.473   7.729
  762   HD11  ILE  80          HD11      ILE  80 -11.992  -2.679  10.998
  763   HD12  ILE  80          HD12      ILE  80 -11.517  -1.018  11.409
  764   HD13  ILE  80          HD13      ILE  80 -12.263  -1.378   9.832
  765    H    VAL  81           H        VAL  81  -7.676   0.278   6.914
  766    HA   VAL  81           HA       VAL  81  -5.698   2.226   8.054
  767    HB   VAL  81           HB       VAL  81  -5.820   1.016   5.270
  768   HG11  VAL  81          HG11      VAL  81  -5.052   3.337   5.069
  769   HG12  VAL  81          HG12      VAL  81  -3.893   3.091   6.399
  770   HG13  VAL  81          HG13      VAL  81  -3.694   2.239   4.853
  771   HG21  VAL  81          HG21      VAL  81  -3.626   0.065   5.825
  772   HG22  VAL  81          HG22      VAL  81  -3.702   0.782   7.455
  773   HG23  VAL  81          HG23      VAL  81  -4.841  -0.490   6.976
  774    H    TYR  82           H        TYR  82  -5.981   4.335   7.655
  775    HA   TYR  82           HA       TYR  82  -8.278   5.251   6.006
  776    HB2  TYR  82           HB2      TYR  82  -7.476   6.178   8.763
  777    HB3  TYR  82           HB3      TYR  82  -8.482   7.126   7.685
  778    HD1  TYR  82           HD2      TYR  82  -8.302   3.838   9.452
  779    HD2  TYR  82           HD1      TYR  82 -10.825   6.772   7.545
  780    HE1  TYR  82           HE2      TYR  82 -10.318   2.651  10.293
  781    HE2  TYR  82           HE1      TYR  82 -12.843   5.576   8.376
  782    HH   TYR  82           HH       TYR  82 -13.644   3.800   9.588
  783    H    CYS  83           H        CYS  83  -7.914   6.788   4.523
  784    HA   CYS  83           HA       CYS  83  -5.886   8.823   4.855
  785    HB2  CYS  83           HB2      CYS  83  -4.506   6.843   4.095
  786    HB3  CYS  83           HB3      CYS  83  -5.478   6.797   2.611
  787    HG   CYS  83           HG       CYS  83  -3.526   9.185   3.846
  788    H    SER  84           H        SER  84  -7.257  10.420   4.364
  789    HA   SER  84           HA       SER  84  -8.591  10.447   1.692
  790    HB2  SER  84           HB2      SER  84 -10.249  11.985   2.639
  791    HB3  SER  84           HB3      SER  84 -10.272  10.392   3.410
  792    HG   SER  84           HG       SER  84 -10.382  12.120   4.933
  793    H    ASN  85           H        ASN  85  -8.514  12.288   0.478
  794    HA   ASN  85           HA       ASN  85  -7.357  13.831  -0.648
  795    HB2  ASN  85           HB2      ASN  85  -7.408  16.062   0.305
  796    HB3  ASN  85           HB3      ASN  85  -8.893  15.174   0.602
  797   HD21  ASN  85          HD21      ASN  85  -5.786  15.993   2.185
  798   HD22  ASN  85          HD22      ASN  85  -6.500  16.189   3.791
  799    H    ASP  86           H        ASP  86  -5.523  11.924   0.306
  800    HA   ASP  86           HA       ASP  86  -3.025  13.461   0.042
  801    HB2  ASP  86           HB2      ASP  86  -3.491  13.207   2.505
  802    HB3  ASP  86           HB3      ASP  86  -3.460  11.462   2.296
  803    H    LEU  87           H        LEU  87  -1.177  11.855  -0.300
  804    HA   LEU  87           HA       LEU  87  -1.570  10.736  -2.755
  805    HB2  LEU  87           HB2      LEU  87   0.566  11.447  -1.801
  806    HB3  LEU  87           HB3      LEU  87   0.576  10.048  -0.729
  807    HG   LEU  87           HG       LEU  87   0.764   8.531  -2.683
  808   HD11  LEU  87          HD11      LEU  87   0.911  11.101  -4.316
  809   HD12  LEU  87          HD12      LEU  87  -0.346   9.846  -4.431
  810   HD13  LEU  87          HD13      LEU  87   1.310   9.469  -4.907
  811   HD21  LEU  87          HD21      LEU  87   2.802   9.358  -1.588
  812   HD22  LEU  87          HD22      LEU  87   2.807  10.791  -2.640
  813   HD23  LEU  87          HD23      LEU  87   3.067   9.177  -3.332
  814    H    LEU  88           H        LEU  88  -1.363   8.651   0.212
  815    HA   LEU  88           HA       LEU  88  -1.666   6.209  -1.238
  816    HB2  LEU  88           HB2      LEU  88  -0.695   6.382   0.937
  817    HB3  LEU  88           HB3      LEU  88  -2.216   6.851   1.678
  818    HG   LEU  88           HG       LEU  88  -2.321   4.296   0.119
  819   HD11  LEU  88          HD11      LEU  88  -1.194   2.994   1.833
  820   HD12  LEU  88          HD12      LEU  88  -0.702   4.491   2.672
  821   HD13  LEU  88          HD13      LEU  88  -0.085   4.122   1.051
  822   HD21  LEU  88          HD21      LEU  88  -4.200   5.047   1.589
  823   HD22  LEU  88          HD22      LEU  88  -3.101   4.985   2.993
  824   HD23  LEU  88          HD23      LEU  88  -3.514   3.503   2.122
  825    H    GLY  89           H        GLY  89  -4.137   8.369   0.135
  826    HA2  GLY  89           HA2      GLY  89  -6.445   6.713  -0.444
  827    HA3  GLY  89           HA3      GLY  89  -6.416   8.460  -0.156
  828    H    ASP  90           H        ASP  90  -4.566   9.126  -2.309
  829    HA   ASP  90           HA       ASP  90  -6.366   9.157  -4.572
  830    HB2  ASP  90           HB2      ASP  90  -3.533  10.139  -4.210
  831    HB3  ASP  90           HB3      ASP  90  -4.362  10.173  -5.757
  832    H    LEU  91           H        LEU  91  -3.536   7.130  -3.814
  833    HA   LEU  91           HA       LEU  91  -3.638   5.652  -6.297
  834    HB2  LEU  91           HB2      LEU  91  -2.497   5.169  -3.517
  835    HB3  LEU  91           HB3      LEU  91  -2.588   3.856  -4.665
  836    HG   LEU  91           HG       LEU  91  -0.436   4.611  -4.804
  837   HD11  LEU  91          HD11      LEU  91  -1.482   4.232  -7.036
  838   HD12  LEU  91          HD12      LEU  91  -0.122   5.364  -7.084
  839   HD13  LEU  91          HD13      LEU  91  -1.757   5.988  -7.172
  840   HD21  LEU  91          HD21      LEU  91   0.340   6.863  -5.184
  841   HD22  LEU  91          HD22      LEU  91  -0.598   6.738  -3.699
  842   HD23  LEU  91          HD23      LEU  91  -1.336   7.469  -5.148
  843    H    PHE  92           H        PHE  92  -4.942   4.781  -3.035
  844    HA   PHE  92           HA       PHE  92  -6.276   2.523  -4.155
  845    HB2  PHE  92           HB2      PHE  92  -6.301   3.712  -1.414
  846    HB3  PHE  92           HB3      PHE  92  -7.413   2.430  -1.853
  847    HD1  PHE  92           HD2      PHE  92  -6.429   0.328  -3.053
  848    HD2  PHE  92           HD1      PHE  92  -4.156   3.034  -0.598
  849    HE1  PHE  92           HE2      PHE  92  -4.736  -1.464  -2.649
  850    HE2  PHE  92           HE1      PHE  92  -2.496   1.234  -0.156
  851    HZ   PHE  92           HZ       PHE  92  -2.808  -1.022  -1.170
  852    H    GLY  93           H        GLY  93  -7.482   5.741  -3.999
  853    HA2  GLY  93           HA2      GLY  93  -9.380   6.599  -4.979
  854    HA3  GLY  93           HA3      GLY  93  -9.806   4.989  -5.570
  855    H    VAL  94           H        VAL  94  -9.272   5.300  -2.155
  856    HA   VAL  94           HA       VAL  94 -12.143   5.622  -1.477
  857    HB   VAL  94           HB       VAL  94 -11.887   3.710   0.176
  858   HG11  VAL  94          HG11      VAL  94 -12.523   1.975  -1.397
  859   HG12  VAL  94          HG12      VAL  94 -13.284   3.523  -1.812
  860   HG13  VAL  94          HG13      VAL  94 -11.890   2.929  -2.753
  861   HG21  VAL  94          HG21      VAL  94  -9.410   3.371   0.012
  862   HG22  VAL  94          HG22      VAL  94 -10.349   1.899  -0.265
  863   HG23  VAL  94          HG23      VAL  94  -9.650   2.758  -1.644
  864    HA   PRO  95           HA       PRO  95 -10.280   7.876   1.924
  865    HB2  PRO  95           HB2      PRO  95 -12.288   7.867   3.773
  866    HB3  PRO  95           HB3      PRO  95 -12.407   8.769   2.231
  867    HG2  PRO  95           HG2      PRO  95 -13.499   5.991   2.838
  868    HG3  PRO  95           HG3      PRO  95 -14.371   7.387   2.123
  869    HD2  PRO  95           HD2      PRO  95 -13.298   5.442   0.586
  870    HD3  PRO  95           HD3      PRO  95 -13.242   7.147   0.063
  871    H    SER  96           H        SER  96 -11.405   4.565   2.347
  872    HA   SER  96           HA       SER  96  -9.266   3.930   4.200
  873    HB2  SER  96           HB2      SER  96 -10.731   3.117   6.013
  874    HB3  SER  96           HB3      SER  96 -10.935   4.855   5.752
  875    HG   SER  96           HG       SER  96 -12.944   3.771   5.982
  876    H    PHE  97           H        PHE  97  -9.138   1.610   4.687
  877    HA   PHE  97           HA       PHE  97 -11.014  -0.225   3.404
  878    HB2  PHE  97           HB2      PHE  97  -9.430  -1.378   1.994
  879    HB3  PHE  97           HB3      PHE  97  -9.504   0.297   1.501
  880    HD1  PHE  97           HD2      PHE  97  -7.471  -2.256   3.228
  881    HD2  PHE  97           HD1      PHE  97  -7.503   1.724   1.598
  882    HE1  PHE  97           HE2      PHE  97  -5.003  -2.171   3.422
  883    HE2  PHE  97           HE1      PHE  97  -5.027   1.808   1.782
  884    HZ   PHE  97           HZ       PHE  97  -3.771  -0.153   2.696
  885    H    SER  98           H        SER  98 -10.642  -2.454   4.054
  886    HA   SER  98           HA       SER  98  -9.145  -2.766   6.611
  887    HB2  SER  98           HB2      SER  98 -11.432  -3.502   6.668
  888    HB3  SER  98           HB3      SER  98 -11.187  -4.522   5.235
  889    HG   SER  98           HG       SER  98 -11.035  -5.598   7.332
  890    H    VAL  99           H        VAL  99  -7.221  -3.729   6.674
  891    HA   VAL  99           HA       VAL  99  -5.786  -4.678   4.376
  892    HB   VAL  99           HB       VAL  99  -5.132  -5.178   7.255
  893   HG11  VAL  99          HG11      VAL  99  -2.788  -5.189   6.445
  894   HG12  VAL  99          HG12      VAL  99  -3.730  -6.497   5.730
  895   HG13  VAL  99          HG13      VAL  99  -3.377  -5.036   4.776
  896   HG21  VAL  99          HG21      VAL  99  -5.427  -2.734   6.886
  897   HG22  VAL  99          HG22      VAL  99  -3.746  -3.158   7.182
  898   HG23  VAL  99          HG23      VAL  99  -4.286  -2.815   5.526
  899    H    LYS 100           H        LYS 100  -7.808  -6.253   6.711
  900    HA   LYS 100           HA       LYS 100  -7.087  -9.013   6.293
  901    HB2  LYS 100           HB2      LYS 100  -8.209  -8.039   8.268
  902    HB3  LYS 100           HB3      LYS 100  -9.625  -7.661   7.286
  903    HG2  LYS 100           HG2      LYS 100 -10.007 -10.091   6.906
  904    HG3  LYS 100           HG3      LYS 100  -8.638 -10.457   7.970
  905    HD2  LYS 100           HD2      LYS 100 -11.114  -8.849   8.762
  906    HD3  LYS 100           HD3      LYS 100 -10.911 -10.577   9.073
  907    HE2  LYS 100           HE2      LYS 100  -9.084 -10.209  10.585
  908    HE3  LYS 100           HE3      LYS 100  -8.928  -8.513  10.118
  909    HZ1  LYS 100           HZ1      LYS 100 -11.310  -9.614  11.495
  910    HZ2  LYS 100           HZ2      LYS 100 -11.029  -8.035  11.134
  911    HZ3  LYS 100           HZ3      LYS 100 -10.098  -8.804  12.233
  912    H    GLU 101           H        GLU 101  -9.108  -6.832   4.436
  913    HA   GLU 101           HA       GLU 101 -10.441  -8.961   2.899
  914    HB2  GLU 101           HB2      GLU 101 -10.441  -5.939   2.583
  915    HB3  GLU 101           HB3      GLU 101 -11.370  -7.076   1.591
  916    HG2  GLU 101           HG2      GLU 101 -12.524  -7.922   3.607
  917    HG3  GLU 101           HG3      GLU 101 -11.649  -6.763   4.609
  918    H    HIS 102           H        HIS 102  -8.109  -9.814   2.597
  919    HA   HIS 102           HA       HIS 102  -6.198  -8.561   1.087
  920    HB2  HIS 102           HB2      HIS 102  -6.753 -11.544   1.059
  921    HB3  HIS 102           HB3      HIS 102  -5.224 -10.767   0.675
  922    HD1  HIS 102           HD1      HIS 102  -5.103  -8.814   3.319
  923    HD2  HIS 102           HD2      HIS 102  -5.891 -12.941   3.103
  924    HE1  HIS 102           HE1      HIS 102  -4.198  -9.821   5.455
  925    H    ARG 103           H        ARG 103  -8.783 -10.603  -0.343
  926    HA   ARG 103           HA       ARG 103  -7.831 -10.511  -3.048
  927    HB2  ARG 103           HB2      ARG 103 -10.667 -10.802  -1.974
  928    HB3  ARG 103           HB3      ARG 103 -10.190 -11.065  -3.655
  929    HG2  ARG 103           HG2      ARG 103  -8.689 -12.910  -2.981
  930    HG3  ARG 103           HG3      ARG 103  -9.140 -12.668  -1.278
  931    HD2  ARG 103           HD2      ARG 103 -11.517 -13.096  -1.858
  932    HD3  ARG 103           HD3      ARG 103 -11.045 -13.394  -3.543
  933    HE   ARG 103           HE       ARG 103  -9.493 -15.135  -1.939
  934   HH11  ARG 103          HH11      ARG 103 -12.912 -14.767  -2.669
  935   HH12  ARG 103          HH12      ARG 103 -13.224 -16.463  -2.424
  936   HH21  ARG 103          HH21      ARG 103  -9.938 -17.199  -1.679
  937   HH22  ARG 103          HH22      ARG 103 -11.568 -17.836  -1.861
  938    H    LYS 104           H        LYS 104  -9.918  -8.244  -1.309
  939    HA   LYS 104           HA       LYS 104 -10.515  -6.573  -3.601
  940    HB2  LYS 104           HB2      LYS 104 -11.912  -6.691  -1.538
  941    HB3  LYS 104           HB3      LYS 104 -10.612  -5.940  -0.618
  942    HG2  LYS 104           HG2      LYS 104 -12.354  -4.337  -1.155
  943    HG3  LYS 104           HG3      LYS 104 -10.833  -3.866  -1.915
  944    HD2  LYS 104           HD2      LYS 104 -11.615  -4.571  -4.105
  945    HD3  LYS 104           HD3      LYS 104 -12.993  -5.421  -3.395
  946    HE2  LYS 104           HE2      LYS 104 -13.787  -3.391  -4.406
  947    HE3  LYS 104           HE3      LYS 104 -13.977  -3.287  -2.656
  948    HZ1  LYS 104           HZ1      LYS 104 -11.781  -2.014  -4.207
  949    HZ2  LYS 104           HZ2      LYS 104 -11.981  -1.888  -2.584
  950    HZ3  LYS 104           HZ3      LYS 104 -13.077  -1.235  -3.598
  951    H    ILE 105           H        ILE 105  -7.993  -6.435  -1.055
  952    HA   ILE 105           HA       ILE 105  -6.719  -4.071  -2.129
  953    HB   ILE 105           HB       ILE 105  -5.682  -6.291  -0.345
  954   HG12  ILE 105          HG12      ILE 105  -6.402  -3.359   0.175
  955   HG13  ILE 105          HG13      ILE 105  -7.481  -4.717   0.490
  956   HG21  ILE 105          HG21      ILE 105  -3.731  -5.374  -1.546
  957   HG22  ILE 105          HG22      ILE 105  -4.272  -3.714  -1.199
  958   HG23  ILE 105          HG23      ILE 105  -3.726  -4.785   0.102
  959   HD11  ILE 105          HD11      ILE 105  -6.515  -4.121   2.535
  960   HD12  ILE 105          HD12      ILE 105  -5.790  -5.663   2.082
  961   HD13  ILE 105          HD13      ILE 105  -4.868  -4.136   1.914
  962    H    TYR 106           H        TYR 106  -6.061  -7.588  -2.737
  963    HA   TYR 106           HA       TYR 106  -3.940  -7.159  -4.511
  964    HB2  TYR 106           HB2      TYR 106  -6.003  -9.363  -4.552
  965    HB3  TYR 106           HB3      TYR 106  -4.528  -9.371  -5.503
  966    HD1  TYR 106           HD2      TYR 106  -2.538  -8.328  -3.371
  967    HD2  TYR 106           HD1      TYR 106  -5.683 -11.293  -3.267
  968    HE1  TYR 106           HE2      TYR 106  -1.370  -9.516  -1.530
  969    HE2  TYR 106           HE1      TYR 106  -4.488 -12.483  -1.442
  970    HH   TYR 106           HH       TYR 106  -1.300 -11.452  -0.268
  971    H    THR 107           H        THR 107  -7.411  -7.228  -5.422
  972    HA   THR 107           HA       THR 107  -6.803  -6.677  -8.176
  973    HB   THR 107           HB       THR 107  -8.913  -7.733  -7.290
  974    HG1  THR 107           HG1      THR 107  -9.976  -7.010  -9.114
  975   HG21  THR 107          HG21      THR 107  -9.823  -4.817  -7.181
  976   HG22  THR 107          HG22      THR 107  -9.665  -5.910  -5.787
  977   HG23  THR 107          HG23      THR 107 -10.851  -6.261  -7.046
  978    H    MET 108           H        MET 108  -7.409  -4.426  -5.486
  979    HA   MET 108           HA       MET 108  -7.286  -2.057  -7.146
  980    HB2  MET 108           HB2      MET 108  -6.723  -2.463  -4.185
  981    HB3  MET 108           HB3      MET 108  -6.686  -0.899  -5.013
  982    HG2  MET 108           HG2      MET 108  -9.035  -1.301  -5.783
  983    HG3  MET 108           HG3      MET 108  -9.099  -2.722  -4.756
  984    HE1  MET 108           HE1      MET 108  -7.478  -1.592  -2.051
  985    HE2  MET 108           HE2      MET 108  -8.896  -1.048  -1.132
  986    HE3  MET 108           HE3      MET 108  -8.947  -2.587  -2.026
  987    H    MET 109           H        MET 109  -4.744  -3.968  -5.492
  988    HA   MET 109           HA       MET 109  -2.564  -2.226  -6.238
  989    HB2  MET 109           HB2      MET 109  -2.669  -5.161  -5.429
  990    HB3  MET 109           HB3      MET 109  -1.169  -4.302  -5.763
  991    HG2  MET 109           HG2      MET 109  -3.189  -3.548  -3.623
  992    HG3  MET 109           HG3      MET 109  -1.672  -4.392  -3.351
  993    HE1  MET 109           HE1      MET 109   0.486  -2.800  -5.134
  994    HE2  MET 109           HE2      MET 109   0.999  -1.601  -3.933
  995    HE3  MET 109           HE3      MET 109   0.718  -3.282  -3.436
  996    H    ALA 110           H        ALA 110  -3.956  -5.150  -7.816
  997    HA   ALA 110           HA       ALA 110  -2.174  -5.202 -10.041
  998    HB1  ALA 110           HB1      ALA 110  -3.700  -7.034  -9.409
  999    HB2  ALA 110           HB2      ALA 110  -5.104  -6.023  -9.813
 1000    HB3  ALA 110           HB3      ALA 110  -3.978  -6.533 -11.091
 1001    H    SER 111           H        SER 111  -5.126  -3.257  -9.472
 1002    HA   SER 111           HA       SER 111  -5.193  -2.013 -12.068
 1003    HB2  SER 111           HB2      SER 111  -6.286  -1.028  -9.404
 1004    HB3  SER 111           HB3      SER 111  -6.644  -0.336 -10.990
 1005    HG   SER 111           HG       SER 111  -7.260  -2.957 -10.062
 1006    H    MET 112           H        MET 112  -2.872  -1.612  -9.591
 1007    HA   MET 112           HA       MET 112  -2.010   1.037 -10.643
 1008    HB2  MET 112           HB2      MET 112  -1.018  -0.433  -8.180
 1009    HB3  MET 112           HB3      MET 112  -0.583   1.200  -8.699
 1010    HG2  MET 112           HG2      MET 112  -2.904   1.955  -8.366
 1011    HG3  MET 112           HG3      MET 112  -3.365   0.323  -7.893
 1012    HE1  MET 112           HE1      MET 112  -4.514   1.727  -5.941
 1013    HE2  MET 112           HE2      MET 112  -4.019   0.106  -5.407
 1014    HE3  MET 112           HE3      MET 112  -3.729   1.509  -4.358
 1015    H    THR 113           H        THR 113  -1.510  -2.078 -11.501
 1016    HA   THR 113           HA       THR 113   1.217  -1.490 -12.517
 1017    HB   THR 113           HB       THR 113   2.122  -3.548 -12.029
 1018    HG1  THR 113           HG1      THR 113   0.908  -5.240 -11.147
 1019   HG21  THR 113          HG21      THR 113   2.052  -2.192  -9.969
 1020   HG22  THR 113          HG22      THR 113   1.902  -3.915  -9.598
 1021   HG23  THR 113          HG23      THR 113   0.474  -2.885  -9.547
 1022    H    GLY 114           H        GLY 114  -1.782  -3.274 -13.105
 1023    HA2  GLY 114           HA2      GLY 114  -1.083  -4.004 -15.848
 1024    HA3  GLY 114           HA3      GLY 114  -2.652  -4.150 -15.065
 1025    H    GLY 115           H        GLY 115  -2.704  -3.412 -17.595
 1026    HA2  GLY 115           HA2      GLY 115  -2.737  -0.530 -18.056
 1027    HA3  GLY 115           HA3      GLY 115  -3.304  -1.789 -19.146
 1028    H    GLN 116           H        GLN 116  -4.760   0.357 -19.188
 1029    HA   GLN 116           HA       GLN 116  -7.363  -0.439 -18.099
 1030    HB2  GLN 116           HB2      GLN 116  -7.855   1.737 -17.111
 1031    HB3  GLN 116           HB3      GLN 116  -6.523   0.951 -16.271
 1032    HG2  GLN 116           HG2      GLN 116  -4.889   2.421 -17.333
 1033    HG3  GLN 116           HG3      GLN 116  -6.116   3.104 -18.397
 1034   HE21  GLN 116          HE21      GLN 116  -4.998   5.109 -17.335
 1035   HE22  GLN 116          HE22      GLN 116  -5.821   5.705 -15.900
 1036    H    GLN 117           H        GLN 117  -9.160   0.783 -19.057
 1037    HA   GLN 117           HA       GLN 117  -8.750   1.390 -21.867
 1038    HB2  GLN 117           HB2      GLN 117 -11.056   1.455 -22.037
 1039    HB3  GLN 117           HB3      GLN 117 -10.772   0.248 -20.800
 1040    HG2  GLN 117           HG2      GLN 117 -11.756   3.107 -20.417
 1041    HG3  GLN 117           HG3      GLN 117 -12.698   1.642 -20.246
 1042   HE21  GLN 117          HE21      GLN 117 -12.269   3.819 -18.277
 1043   HE22  GLN 117          HE22      GLN 117 -11.592   2.996 -16.861
 1044    H    MET 118           H        MET 118  -8.585   3.281 -19.037
 1045    HA   MET 118           HA       MET 118  -8.251   5.400 -18.490
 1046    HB2  MET 118           HB2      MET 118  -6.470   5.252 -20.118
 1047    HB3  MET 118           HB3      MET 118  -7.551   5.797 -21.405
 1048    HG2  MET 118           HG2      MET 118  -7.802   7.979 -20.352
 1049    HG3  MET 118           HG3      MET 118  -6.910   7.429 -18.931
 1050    HE1  MET 118           HE1      MET 118  -5.047   8.365 -23.079
 1051    HE2  MET 118           HE2      MET 118  -6.092   6.950 -22.851
 1052    HE3  MET 118           HE3      MET 118  -6.757   8.590 -22.652
 1053    H    GLY 119           H        GLY 119 -10.508   5.178 -21.208
 1054    HA2  GLY 119           HA2      GLY 119 -11.885   7.674 -20.829
 1055    HA3  GLY 119           HA3      GLY 119 -12.523   6.238 -21.628
  Start of MODEL    6
    1    H1   MET -11           H1       MET -11  -3.487  -5.774  21.362
    2    H2   MET -11           H2       MET -11  -3.959  -7.272  20.901
    3    H3   MET -11           H3       MET -11  -5.057  -6.216  21.498
    4    HA   MET -11           HA       MET -11  -5.286  -6.382  19.109
    5    HB2  MET -11           HB2      MET -11  -5.931  -4.287  20.138
    6    HB3  MET -11           HB3      MET -11  -4.267  -3.717  20.145
    7    HG2  MET -11           HG2      MET -11  -5.563  -2.668  18.370
    8    HG3  MET -11           HG3      MET -11  -4.211  -3.580  17.729
    9    HE1  MET -11           HE1      MET -11  -7.705  -5.246  18.889
   10    HE2  MET -11           HE2      MET -11  -8.090  -3.587  18.385
   11    HE3  MET -11           HE3      MET -11  -8.643  -4.969  17.413
   12    HA   PRO -10           HA       PRO -10  -1.262  -7.214  17.231
   13    HB2  PRO -10           HB2      PRO -10  -2.967  -7.657  14.810
   14    HB3  PRO -10           HB3      PRO -10  -1.683  -8.695  15.488
   15    HG2  PRO -10           HG2      PRO -10  -4.299  -9.352  15.812
   16    HG3  PRO -10           HG3      PRO -10  -3.138  -9.553  17.165
   17    HD2  PRO -10           HD2      PRO -10  -5.071  -7.267  16.680
   18    HD3  PRO -10           HD3      PRO -10  -4.769  -8.194  18.184
   19    H    ARG  -9           H        ARG  -9   0.061  -6.106  15.760
   20    HA   ARG  -9           HA       ARG  -9  -0.655  -3.310  15.249
   21    HB2  ARG  -9           HB2      ARG  -9   1.818  -4.938  14.505
   22    HB3  ARG  -9           HB3      ARG  -9   1.647  -3.195  14.261
   23    HG2  ARG  -9           HG2      ARG  -9   1.326  -2.875  16.706
   24    HG3  ARG  -9           HG3      ARG  -9   1.572  -4.615  16.961
   25    HD2  ARG  -9           HD2      ARG  -9   3.833  -4.451  15.982
   26    HD3  ARG  -9           HD3      ARG  -9   3.584  -2.716  15.691
   27    HE   ARG  -9           HE       ARG  -9   3.147  -3.357  18.467
   28   HH11  ARG  -9          HH11      ARG  -9   5.801  -2.897  16.224
   29   HH12  ARG  -9          HH12      ARG  -9   6.898  -2.399  17.483
   30   HH21  ARG  -9          HH21      ARG  -9   4.599  -2.714  20.022
   31   HH22  ARG  -9          HH22      ARG  -9   6.230  -2.304  19.574
   32    H    PHE  -8           H        PHE  -8  -0.455  -2.228  13.184
   33    HA   PHE  -8           HA       PHE  -8  -1.899  -3.304  11.044
   34    HB2  PHE  -8           HB2      PHE  -8  -1.741  -1.020  11.005
   35    HB3  PHE  -8           HB3      PHE  -8  -0.004  -1.014  11.277
   36    HD1  PHE  -8           HD2      PHE  -8  -2.626  -1.646   8.702
   37    HD2  PHE  -8           HD1      PHE  -8   1.590  -1.159   9.486
   38    HE1  PHE  -8           HE2      PHE  -8  -2.153  -1.700   6.259
   39    HE2  PHE  -8           HE1      PHE  -8   2.054  -1.271   7.057
   40    HZ   PHE  -8           HZ       PHE  -8   0.187  -1.557   5.443
   41    H    TRP  -7           H        TRP  -7   1.658  -3.282  11.258
   42    HA   TRP  -7           HA       TRP  -7   2.061  -4.523   8.735
   43    HB2  TRP  -7           HB2      TRP  -7   3.755  -3.220   9.841
   44    HB3  TRP  -7           HB3      TRP  -7   3.834  -4.362  11.181
   45    HD1  TRP  -7           HD1      TRP  -7   5.143  -6.615  10.824
   46    HE1  TRP  -7           HE1      TRP  -7   6.743  -7.509   9.031
   47    HE3  TRP  -7           HE3      TRP  -7   4.242  -3.161   7.147
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.485  -6.859   6.321
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.412  -3.347   4.952
   50    HH2  TRP  -7           HH2      TRP  -7   7.019  -5.168   4.536
   51    H    GLU  -6           H        GLU  -6   1.489  -5.977  11.909
   52    HA   GLU  -6           HA       GLU  -6   2.174  -8.686  11.213
   53    HB2  GLU  -6           HB2      GLU  -6   0.317  -7.522  13.321
   54    HB3  GLU  -6           HB3      GLU  -6   0.718  -9.240  13.205
   55    HG2  GLU  -6           HG2      GLU  -6   3.075  -8.810  13.561
   56    HG3  GLU  -6           HG3      GLU  -6   2.833  -7.065  13.502
   57    H    TYR  -5           H        TYR  -5  -0.666  -6.744  10.535
   58    HA   TYR  -5           HA       TYR  -5  -2.087  -9.021   9.316
   59    HB2  TYR  -5           HB2      TYR  -5  -2.837  -6.154   9.779
   60    HB3  TYR  -5           HB3      TYR  -5  -3.659  -7.110   8.566
   61    HD1  TYR  -5           HD2      TYR  -5  -4.834  -9.236   9.155
   62    HD2  TYR  -5           HD1      TYR  -5  -3.401  -6.456  12.130
   63    HE1  TYR  -5           HE2      TYR  -5  -6.425 -10.191  10.815
   64    HE2  TYR  -5           HE1      TYR  -5  -5.036  -7.376  13.771
   65    HH   TYR  -5           HH       TYR  -5  -6.671  -8.944  14.164
   66    H    TRP  -4           H        TRP  -4  -0.408  -6.106   8.191
   67    HA   TRP  -4           HA       TRP  -4  -0.936  -6.436   5.407
   68    HB2  TRP  -4           HB2      TRP  -4  -0.077  -4.408   6.667
   69    HB3  TRP  -4           HB3      TRP  -4   1.503  -5.192   6.734
   70    HD1  TRP  -4           HD1      TRP  -4   2.924  -5.281   4.515
   71    HE1  TRP  -4           HE1      TRP  -4   2.713  -4.158   2.211
   72    HE3  TRP  -4           HE3      TRP  -4  -1.916  -3.683   4.836
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.659  -2.885   0.650
   74    HZ3  TRP  -4           HZ3      TRP  -4  -3.014  -2.602   2.885
   75    HH2  TRP  -4           HH2      TRP  -4  -1.741  -2.173   0.808
   76    H    LEU  -3           H        LEU  -3   1.677  -7.828   7.412
   77    HA   LEU  -3           HA       LEU  -3   3.253  -8.970   5.393
   78    HB2  LEU  -3           HB2      LEU  -3   3.715  -8.830   7.865
   79    HB3  LEU  -3           HB3      LEU  -3   2.521 -10.102   8.125
   80    HG   LEU  -3           HG       LEU  -3   3.982 -11.621   6.664
   81   HD11  LEU  -3          HD11      LEU  -3   5.289  -9.835   5.521
   82   HD12  LEU  -3          HD12      LEU  -3   6.350 -10.936   6.409
   83   HD13  LEU  -3          HD13      LEU  -3   5.965  -9.335   7.083
   84   HD21  LEU  -3          HD21      LEU  -3   5.205 -10.461   9.199
   85   HD22  LEU  -3          HD22      LEU  -3   5.606 -12.033   8.467
   86   HD23  LEU  -3          HD23      LEU  -3   3.983 -11.750   9.117
   87    H    ARG  -2           H        ARG  -2   0.077  -9.999   6.525
   88    HA   ARG  -2           HA       ARG  -2   0.196 -12.711   5.427
   89    HB2  ARG  -2           HB2      ARG  -2  -2.329 -11.184   6.128
   90    HB3  ARG  -2           HB3      ARG  -2  -2.067 -12.923   6.123
   91    HG2  ARG  -2           HG2      ARG  -2  -0.977 -10.904   8.115
   92    HG3  ARG  -2           HG3      ARG  -2  -2.224 -12.105   8.407
   93    HD2  ARG  -2           HD2      ARG  -2  -0.643 -13.910   8.295
   94    HD3  ARG  -2           HD3      ARG  -2   0.642 -12.849   7.678
   95    HE   ARG  -2           HE       ARG  -2   0.079 -11.588   9.978
   96   HH11  ARG  -2          HH11      ARG  -2   0.773 -14.996   9.485
   97   HH12  ARG  -2          HH12      ARG  -2   1.399 -15.183  11.099
   98   HH21  ARG  -2          HH21      ARG  -2   0.845 -11.897  11.981
   99   HH22  ARG  -2          HH22      ARG  -2   1.447 -13.455  12.486
  100    H    LEU  -1           H        LEU  -1  -0.455  -9.589   4.077
  101    HA   LEU  -1           HA       LEU  -1  -1.902 -10.510   1.719
  102    HB2  LEU  -1           HB2      LEU  -1  -0.202  -8.030   2.158
  103    HB3  LEU  -1           HB3      LEU  -1  -1.223  -8.324   0.774
  104    HG   LEU  -1           HG       LEU  -1  -2.160  -7.859   3.631
  105   HD11  LEU  -1          HD11      LEU  -1  -1.283  -5.929   2.365
  106   HD12  LEU  -1          HD12      LEU  -1  -3.039  -5.785   2.581
  107   HD13  LEU  -1          HD13      LEU  -1  -2.364  -6.296   1.017
  108   HD21  LEU  -1          HD21      LEU  -1  -3.733  -9.421   2.522
  109   HD22  LEU  -1          HD22      LEU  -1  -3.814  -8.349   1.105
  110   HD23  LEU  -1          HD23      LEU  -1  -4.446  -7.815   2.682
  111    H    MET   0           H        MET   0   1.564  -9.657   2.350
  112    HA   MET   0           HA       MET   0   2.314 -10.472  -0.313
  113    HB2  MET   0           HB2      MET   0   4.592 -10.149   0.328
  114    HB3  MET   0           HB3      MET   0   3.619  -8.803   0.914
  115    HG2  MET   0           HG2      MET   0   3.715  -9.660   3.189
  116    HG3  MET   0           HG3      MET   0   4.476 -11.156   2.642
  117    HE1  MET   0           HE1      MET   0   6.534  -7.067   3.077
  118    HE2  MET   0           HE2      MET   0   5.227  -7.281   1.891
  119    HE3  MET   0           HE3      MET   0   4.902  -7.485   3.637
  120    H    GLU   1           H        GLU   1   2.153 -12.160   2.781
  121    HA   GLU   1           HA       GLU   1   3.114 -14.709   1.663
  122    HB2  GLU   1           HB2      GLU   1   1.916 -13.990   4.362
  123    HB3  GLU   1           HB3      GLU   1   2.523 -15.583   3.940
  124    HG2  GLU   1           HG2      GLU   1   4.204 -13.045   4.034
  125    HG3  GLU   1           HG3      GLU   1   4.113 -14.269   5.287
  126    H    GLY   2           H        GLY   2   0.726 -13.366   0.438
  127    HA2  GLY   2           HA2      GLY   2  -1.719 -14.405   1.165
  128    HA3  GLY   2           HA3      GLY   2  -1.291 -13.897  -0.463
  129    H    GLY   3           H        GLY   3   0.764 -16.207  -0.575
  130    HA2  GLY   3           HA2      GLY   3  -0.927 -18.322  -1.622
  131    HA3  GLY   3           HA3      GLY   3   0.818 -18.386  -1.360
  132    H    GLY   4           H        GLY   4   0.135 -17.576   1.601
  133    HA2  GLY   4           HA2      GLY   4  -0.152 -20.309   2.684
  134    HA3  GLY   4           HA3      GLY   4   0.312 -18.843   3.549
  135    H    GLU   5           H        GLU   5  -2.431 -18.089   1.769
  136    HA   GLU   5           HA       GLU   5  -4.366 -18.980   3.836
  137    HB2  GLU   5           HB2      GLU   5  -5.386 -16.767   3.968
  138    HB3  GLU   5           HB3      GLU   5  -3.750 -16.834   4.555
  139    HG2  GLU   5           HG2      GLU   5  -3.710 -14.840   3.495
  140    HG3  GLU   5           HG3      GLU   5  -3.005 -15.870   2.274
  141    H    ASN   6           H        ASN   6  -6.698 -18.395   3.071
  142    HA   ASN   6           HA       ASN   6  -7.131 -20.313   1.051
  143    HB2  ASN   6           HB2      ASN   6  -9.009 -18.277   2.315
  144    HB3  ASN   6           HB3      ASN   6  -9.548 -19.597   1.281
  145   HD21  ASN   6          HD21      ASN   6 -10.131 -19.063   4.167
  146   HD22  ASN   6          HD22      ASN   6  -9.662 -20.561   4.959
  147    H    LEU   7           H        LEU   7  -6.776 -16.877   0.592
  148    HA   LEU   7           HA       LEU   7  -6.890 -15.520  -1.178
  149    HB2  LEU   7           HB2      LEU   7  -4.834 -16.673  -1.430
  150    HB3  LEU   7           HB3      LEU   7  -5.577 -17.976  -2.344
  151    HG   LEU   7           HG       LEU   7  -5.929 -16.546  -4.265
  152   HD11  LEU   7          HD11      LEU   7  -4.774 -14.265  -2.610
  153   HD12  LEU   7          HD12      LEU   7  -6.459 -14.382  -3.172
  154   HD13  LEU   7          HD13      LEU   7  -5.155 -14.205  -4.346
  155   HD21  LEU   7          HD21      LEU   7  -3.157 -16.142  -3.070
  156   HD22  LEU   7          HD22      LEU   7  -3.580 -15.948  -4.782
  157   HD23  LEU   7          HD23      LEU   7  -3.707 -17.543  -4.014
  158    H    TYR   8           H        TYR   8  -7.495 -18.168  -3.415
  159    HA   TYR   8           HA       TYR   8 -10.238 -17.205  -3.872
  160    HB2  TYR   8           HB2      TYR   8  -8.093 -17.318  -5.932
  161    HB3  TYR   8           HB3      TYR   8  -9.764 -17.521  -6.398
  162    HD1  TYR   8           HD2      TYR   8 -11.485 -15.754  -5.921
  163    HD2  TYR   8           HD1      TYR   8  -7.248 -15.086  -5.499
  164    HE1  TYR   8           HE2      TYR   8 -11.848 -13.292  -6.103
  165    HE2  TYR   8           HE1      TYR   8  -7.609 -12.633  -5.664
  166    HH   TYR   8           HH       TYR   8  -9.139 -10.954  -5.995
  167    H    PHE   9           H        PHE   9  -8.963 -19.761  -2.708
  168    HA   PHE   9           HA       PHE   9  -9.721 -21.804  -4.470
  169    HB2  PHE   9           HB2      PHE   9  -8.871 -21.854  -1.632
  170    HB3  PHE   9           HB3      PHE   9  -9.533 -23.299  -2.370
  171    HD1  PHE   9           HD2      PHE   9  -8.468 -24.387  -4.322
  172    HD2  PHE   9           HD1      PHE   9  -6.651 -21.007  -2.353
  173    HE1  PHE   9           HE2      PHE   9  -6.314 -24.880  -5.456
  174    HE2  PHE   9           HE1      PHE   9  -4.504 -21.496  -3.497
  175    HZ   PHE   9           HZ       PHE   9  -4.331 -23.430  -5.051
  176    H    GLN  10           H        GLN  10 -11.088 -23.553  -4.319
  177    HA   GLN  10           HA       GLN  10 -13.062 -24.528  -4.564
  178    HB2  GLN  10           HB2      GLN  10 -14.254 -22.721  -2.445
  179    HB3  GLN  10           HB3      GLN  10 -14.974 -24.165  -3.133
  180    HG2  GLN  10           HG2      GLN  10 -12.460 -24.041  -1.416
  181    HG3  GLN  10           HG3      GLN  10 -14.035 -24.672  -0.951
  182   HE21  GLN  10          HE21      GLN  10 -14.851 -26.606  -2.370
  183   HE22  GLN  10          HE22      GLN  10 -13.611 -27.716  -2.939
  184    H    GLY  11           H        GLY  11 -14.259 -24.452  -6.287
  185    HA2  GLY  11           HA2      GLY  11 -15.435 -23.658  -8.119
  186    HA3  GLY  11           HA3      GLY  11 -15.660 -22.104  -7.312
  187    H    MET  12           H        MET  12 -12.495 -22.448  -7.048
  188    HA   MET  12           HA       MET  12 -11.342 -21.897  -9.643
  189    HB2  MET  12           HB2      MET  12 -12.284 -19.716  -9.357
  190    HB3  MET  12           HB3      MET  12 -11.946 -19.698  -7.640
  191    HG2  MET  12           HG2      MET  12 -10.507 -18.145  -8.751
  192    HG3  MET  12           HG3      MET  12  -9.559 -19.427  -8.037
  193    HE1  MET  12           HE1      MET  12 -10.197 -18.661 -12.571
  194    HE2  MET  12           HE2      MET  12 -11.549 -19.164 -11.536
  195    HE3  MET  12           HE3      MET  12 -10.741 -17.603 -11.251
  196    H    SER  13           H        SER  13  -8.972 -21.730  -9.404
  197    HA   SER  13           HA       SER  13  -7.880 -22.812  -6.854
  198    HB2  SER  13           HB2      SER  13  -5.796 -23.147  -8.116
  199    HB3  SER  13           HB3      SER  13  -7.170 -24.104  -8.698
  200    HG   SER  13           HG       SER  13  -6.085 -23.184 -10.451
  201    H    VAL  14           H        VAL  14  -6.272 -20.792  -9.049
  202    HA   VAL  14           HA       VAL  14  -6.495 -18.376  -7.372
  203    HB   VAL  14           HB       VAL  14  -3.782 -19.319  -8.301
  204   HG11  VAL  14          HG11      VAL  14  -4.629 -16.936  -6.615
  205   HG12  VAL  14          HG12      VAL  14  -2.949 -17.447  -6.888
  206   HG13  VAL  14          HG13      VAL  14  -3.923 -16.882  -8.243
  207   HG21  VAL  14          HG21      VAL  14  -3.237 -19.557  -5.885
  208   HG22  VAL  14          HG22      VAL  14  -4.948 -19.279  -5.488
  209   HG23  VAL  14          HG23      VAL  14  -4.453 -20.716  -6.413
  210    HA   PRO  15           HA       PRO  15  -7.022 -16.799 -11.587
  211    HB2  PRO  15           HB2      PRO  15  -7.507 -14.172 -11.013
  212    HB3  PRO  15           HB3      PRO  15  -8.691 -15.471 -10.651
  213    HG2  PRO  15           HG2      PRO  15  -6.673 -14.213  -8.767
  214    HG3  PRO  15           HG3      PRO  15  -8.434 -14.459  -8.513
  215    HD2  PRO  15           HD2      PRO  15  -6.583 -16.229  -7.574
  216    HD3  PRO  15           HD3      PRO  15  -8.162 -16.783  -8.223
  217    H    THR  16           H        THR  16  -5.827 -15.616 -13.127
  218    HA   THR  16           HA       THR  16  -3.107 -14.972 -12.547
  219    HB   THR  16           HB       THR  16  -4.410 -13.994 -15.049
  220    HG1  THR  16           HG1      THR  16  -4.161 -16.030 -15.919
  221   HG21  THR  16          HG21      THR  16  -2.244 -14.658 -16.021
  222   HG22  THR  16          HG22      THR  16  -1.699 -15.253 -14.436
  223   HG23  THR  16          HG23      THR  16  -2.015 -13.521 -14.686
  224    H    ASP  17           H        ASP  17  -2.294 -13.290 -11.516
  225    HA   ASP  17           HA       ASP  17  -3.805 -10.788 -11.307
  226    HB2  ASP  17           HB2      ASP  17  -2.012 -10.144  -9.685
  227    HB3  ASP  17           HB3      ASP  17  -3.051 -11.495  -9.265
  228    H    GLY  18           H        GLY  18  -1.145 -11.874 -13.202
  229    HA2  GLY  18           HA2      GLY  18  -1.062  -9.658 -14.937
  230    HA3  GLY  18           HA3      GLY  18   0.174  -9.387 -13.703
  231    H    ALA  19           H        ALA  19   1.513  -9.495 -15.765
  232    HA   ALA  19           HA       ALA  19   2.101 -12.067 -16.956
  233    HB1  ALA  19           HB1      ALA  19   2.540  -9.934 -18.108
  234    HB2  ALA  19           HB2      ALA  19   3.727  -9.491 -16.858
  235    HB3  ALA  19           HB3      ALA  19   4.029 -10.879 -17.924
  236    H    VAL  20           H        VAL  20   3.790 -13.486 -16.559
  237    HA   VAL  20           HA       VAL  20   5.439 -13.117 -14.132
  238    HB   VAL  20           HB       VAL  20   5.034 -15.217 -13.210
  239   HG11  VAL  20          HG11      VAL  20   2.278 -14.153 -13.939
  240   HG12  VAL  20          HG12      VAL  20   2.721 -15.132 -12.531
  241   HG13  VAL  20          HG13      VAL  20   3.330 -13.477 -12.674
  242   HG21  VAL  20          HG21      VAL  20   3.224 -15.875 -15.565
  243   HG22  VAL  20          HG22      VAL  20   4.783 -16.638 -15.182
  244   HG23  VAL  20          HG23      VAL  20   3.411 -16.859 -14.099
  245    H    THR  21           H        THR  21   7.361 -14.215 -13.979
  246    HA   THR  21           HA       THR  21   8.778 -14.783 -16.405
  247    HB   THR  21           HB       THR  21   9.821 -13.909 -14.341
  248    HG1  THR  21           HG1      THR  21  11.677 -15.016 -14.721
  249   HG21  THR  21          HG21      THR  21   8.777 -15.455 -12.657
  250   HG22  THR  21          HG22      THR  21  10.543 -15.416 -12.573
  251   HG23  THR  21          HG23      THR  21   9.726 -16.795 -13.333
  252    H    THR  22           H        THR  22   9.718 -16.690 -17.171
  253    HA   THR  22           HA       THR  22   8.275 -19.178 -16.601
  254    HB   THR  22           HB       THR  22  10.408 -19.234 -18.647
  255    HG1  THR  22           HG1      THR  22   9.082 -18.276 -20.158
  256   HG21  THR  22          HG21      THR  22   8.951 -21.211 -18.244
  257   HG22  THR  22          HG22      THR  22   8.717 -20.553 -19.867
  258   HG23  THR  22          HG23      THR  22   7.519 -20.223 -18.594
  259    H    SER  23           H        SER  23  10.808 -17.807 -15.141
  260    HA   SER  23           HA       SER  23  12.692 -19.959 -15.029
  261    HB2  SER  23           HB2      SER  23  12.464 -17.389 -13.438
  262    HB3  SER  23           HB3      SER  23  13.843 -18.506 -13.357
  263    HG   SER  23           HG       SER  23  14.163 -16.813 -14.886
  264    H    GLN  24           H        GLN  24  10.312 -21.151 -14.191
  265    HA   GLN  24           HA       GLN  24  10.457 -21.613 -11.290
  266    HB2  GLN  24           HB2      GLN  24   8.799 -22.961 -13.457
  267    HB3  GLN  24           HB3      GLN  24   8.763 -23.387 -11.748
  268    HG2  GLN  24           HG2      GLN  24   6.927 -21.976 -12.002
  269    HG3  GLN  24           HG3      GLN  24   8.150 -21.013 -11.184
  270   HE21  GLN  24          HE21      GLN  24   7.352 -18.953 -11.882
  271   HE22  GLN  24          HE22      GLN  24   7.359 -18.504 -13.593
  272    H    ILE  25           H        ILE  25  12.938 -21.967 -12.152
  273    HA   ILE  25           HA       ILE  25  13.596 -24.767 -12.691
  274    HB   ILE  25           HB       ILE  25  15.924 -24.022 -12.517
  275   HG12  ILE  25          HG12      ILE  25  14.877 -21.222 -11.914
  276   HG13  ILE  25          HG13      ILE  25  15.613 -22.296 -10.725
  277   HG21  ILE  25          HG21      ILE  25  15.952 -22.685 -14.520
  278   HG22  ILE  25          HG22      ILE  25  14.602 -23.816 -14.623
  279   HG23  ILE  25          HG23      ILE  25  14.297 -22.107 -14.235
  280   HD11  ILE  25          HD11      ILE  25  17.706 -22.354 -12.108
  281   HD12  ILE  25          HD12      ILE  25  16.982 -21.118 -13.169
  282   HD13  ILE  25          HD13      ILE  25  17.290 -20.754 -11.465
  283    HA   PRO  26           HA       PRO  26  13.951 -26.291  -8.581
  284    HB2  PRO  26           HB2      PRO  26  16.769 -27.207  -9.156
  285    HB3  PRO  26           HB3      PRO  26  15.392 -28.136  -8.483
  286    HG2  PRO  26           HG2      PRO  26  16.083 -28.449 -11.075
  287    HG3  PRO  26           HG3      PRO  26  14.348 -28.277 -10.642
  288    HD2  PRO  26           HD2      PRO  26  16.252 -26.140 -11.655
  289    HD3  PRO  26           HD3      PRO  26  14.605 -26.540 -12.226
  290    H    ALA  27           H        ALA  27  16.729 -24.312  -9.571
  291    HA   ALA  27           HA       ALA  27  17.710 -23.763  -6.895
  292    HB1  ALA  27           HB1      ALA  27  19.158 -23.706  -8.896
  293    HB2  ALA  27           HB2      ALA  27  18.212 -22.345  -9.546
  294    HB3  ALA  27           HB3      ALA  27  19.153 -22.144  -8.055
  295    H    SER  28           H        SER  28  17.687 -21.699  -5.818
  296    HA   SER  28           HA       SER  28  15.104 -20.382  -5.760
  297    HB2  SER  28           HB2      SER  28  17.746 -19.719  -4.411
  298    HB3  SER  28           HB3      SER  28  16.247 -18.805  -4.173
  299    HG   SER  28           HG       SER  28  16.659 -21.574  -3.611
  300    H    GLU  29           H        GLU  29  14.405 -18.546  -6.670
  301    HA   GLU  29           HA       GLU  29  16.236 -16.658  -8.018
  302    HB2  GLU  29           HB2      GLU  29  14.025 -18.238  -9.383
  303    HB3  GLU  29           HB3      GLU  29  14.558 -16.688 -10.007
  304    HG2  GLU  29           HG2      GLU  29  16.327 -19.141  -9.674
  305    HG3  GLU  29           HG3      GLU  29  15.601 -18.579 -11.170
  306    H    GLN  30           H        GLN  30  15.293 -14.635  -8.580
  307    HA   GLN  30           HA       GLN  30  13.454 -13.627  -6.565
  308    HB2  GLN  30           HB2      GLN  30  14.552 -12.265  -9.057
  309    HB3  GLN  30           HB3      GLN  30  13.769 -11.470  -7.696
  310    HG2  GLN  30           HG2      GLN  30  16.453 -12.913  -7.655
  311    HG3  GLN  30           HG3      GLN  30  16.198 -11.178  -7.604
  312   HE21  GLN  30          HE21      GLN  30  17.668 -12.795  -5.638
  313   HE22  GLN  30          HE22      GLN  30  16.817 -12.552  -4.117
  314    H    GLU  31           H        GLU  31  11.400 -12.733  -6.836
  315    HA   GLU  31           HA       GLU  31   9.615 -13.899  -8.762
  316    HB2  GLU  31           HB2      GLU  31   9.228 -11.482  -6.938
  317    HB3  GLU  31           HB3      GLU  31   7.975 -12.315  -7.838
  318    HG2  GLU  31           HG2      GLU  31   7.712 -13.214  -5.752
  319    HG3  GLU  31           HG3      GLU  31   8.645 -14.455  -6.582
  320    H    THR  32           H        THR  32   8.263 -12.769 -10.318
  321    HA   THR  32           HA       THR  32   9.707 -11.365 -12.226
  322    HB   THR  32           HB       THR  32   6.744 -11.051 -12.270
  323    HG1  THR  32           HG1      THR  32   6.707 -13.098 -11.752
  324   HG21  THR  32          HG21      THR  32   8.085 -10.217 -14.168
  325   HG22  THR  32          HG22      THR  32   7.080 -11.583 -14.649
  326   HG23  THR  32          HG23      THR  32   8.819 -11.824 -14.367
  327    H    LEU  33           H        LEU  33  10.110  -9.349 -12.864
  328    HA   LEU  33           HA       LEU  33   9.426  -7.104 -11.105
  329    HB2  LEU  33           HB2      LEU  33  10.968  -7.278 -13.721
  330    HB3  LEU  33           HB3      LEU  33  10.731  -5.789 -12.819
  331    HG   LEU  33           HG       LEU  33  12.205  -8.230 -11.737
  332   HD11  LEU  33          HD11      LEU  33  14.230  -6.851 -12.094
  333   HD12  LEU  33          HD12      LEU  33  13.237  -5.585 -12.855
  334   HD13  LEU  33          HD13      LEU  33  13.391  -7.180 -13.619
  335   HD21  LEU  33          HD21      LEU  33  11.993  -5.376 -10.665
  336   HD22  LEU  33          HD22      LEU  33  13.019  -6.673 -10.005
  337   HD23  LEU  33          HD23      LEU  33  11.264  -6.821  -9.927
  338    H    VAL  34           H        VAL  34   8.230  -5.366 -11.569
  339    HA   VAL  34           HA       VAL  34   6.630  -5.209 -14.054
  340    HB   VAL  34           HB       VAL  34   4.622  -4.773 -13.009
  341   HG11  VAL  34          HG11      VAL  34   5.330  -7.156 -12.778
  342   HG12  VAL  34          HG12      VAL  34   5.834  -6.786 -11.103
  343   HG13  VAL  34          HG13      VAL  34   4.130  -6.619 -11.587
  344   HG21  VAL  34          HG21      VAL  34   5.085  -3.163 -11.328
  345   HG22  VAL  34          HG22      VAL  34   4.371  -4.542 -10.497
  346   HG23  VAL  34          HG23      VAL  34   6.111  -4.286 -10.410
  347    H    ARG  35           H        ARG  35   5.663  -3.113 -14.453
  348    HA   ARG  35           HA       ARG  35   7.340  -0.845 -13.502
  349    HB2  ARG  35           HB2      ARG  35   5.571  -1.150 -15.957
  350    HB3  ARG  35           HB3      ARG  35   6.273   0.384 -15.457
  351    HG2  ARG  35           HG2      ARG  35   7.906  -2.089 -16.184
  352    HG3  ARG  35           HG3      ARG  35   7.507  -0.757 -17.277
  353    HD2  ARG  35           HD2      ARG  35   8.633   0.825 -15.653
  354    HD3  ARG  35           HD3      ARG  35   9.208  -0.595 -14.760
  355    HE   ARG  35           HE       ARG  35   9.910  -0.938 -17.491
  356   HH11  ARG  35          HH11      ARG  35  10.886   1.072 -14.794
  357   HH12  ARG  35          HH12      ARG  35  12.412   1.487 -15.550
  358   HH21  ARG  35          HH21      ARG  35  11.913  -0.382 -18.359
  359   HH22  ARG  35          HH22      ARG  35  12.953   0.697 -17.467
  360    HA   PRO  36           HA       PRO  36   3.444  -0.083 -11.183
  361    HB2  PRO  36           HB2      PRO  36   4.593   1.420  -9.161
  362    HB3  PRO  36           HB3      PRO  36   4.425  -0.364  -9.144
  363    HG2  PRO  36           HG2      PRO  36   6.842   1.285  -9.881
  364    HG3  PRO  36           HG3      PRO  36   6.738  -0.206  -8.879
  365    HD2  PRO  36           HD2      PRO  36   7.498  -0.246 -11.502
  366    HD3  PRO  36           HD3      PRO  36   6.565  -1.584 -10.764
  367    H    LYS  37           H        LYS  37   2.229   1.851 -10.997
  368    HA   LYS  37           HA       LYS  37   2.657   3.830 -12.989
  369    HB2  LYS  37           HB2      LYS  37   0.837   3.876 -10.538
  370    HB3  LYS  37           HB3      LYS  37   0.820   5.099 -11.815
  371    HG2  LYS  37           HG2      LYS  37   0.458   3.158 -13.471
  372    HG3  LYS  37           HG3      LYS  37   0.066   2.167 -12.068
  373    HD2  LYS  37           HD2      LYS  37  -1.335   4.748 -12.902
  374    HD3  LYS  37           HD3      LYS  37  -1.915   3.114 -13.210
  375    HE2  LYS  37           HE2      LYS  37  -2.122   2.711 -10.761
  376    HE3  LYS  37           HE3      LYS  37  -1.570   4.357 -10.437
  377    HZ1  LYS  37           HZ1      LYS  37  -3.984   3.675 -12.047
  378    HZ2  LYS  37           HZ2      LYS  37  -3.523   5.180 -11.617
  379    HZ3  LYS  37           HZ3      LYS  37  -4.028   4.125 -10.471
  380    HA   PRO  38           HA       PRO  38   5.434   6.819 -11.264
  381    HB2  PRO  38           HB2      PRO  38   3.463   8.912 -12.202
  382    HB3  PRO  38           HB3      PRO  38   5.243   8.869 -12.400
  383    HG2  PRO  38           HG2      PRO  38   3.652   8.156 -14.460
  384    HG3  PRO  38           HG3      PRO  38   5.083   7.148 -14.064
  385    HD2  PRO  38           HD2      PRO  38   2.185   6.667 -13.324
  386    HD3  PRO  38           HD3      PRO  38   3.400   5.524 -13.972
  387    H    LEU  39           H        LEU  39   1.978   7.366 -10.533
  388    HA   LEU  39           HA       LEU  39   2.272   8.911  -8.171
  389    HB2  LEU  39           HB2      LEU  39   0.180   8.576  -9.520
  390    HB3  LEU  39           HB3      LEU  39   0.108   6.911  -8.948
  391    HG   LEU  39           HG       LEU  39  -0.119   7.799  -6.580
  392   HD11  LEU  39          HD11      LEU  39   0.830  10.050  -6.871
  393   HD12  LEU  39          HD12      LEU  39  -0.859  10.180  -6.362
  394   HD13  LEU  39          HD13      LEU  39  -0.429  10.454  -8.062
  395   HD21  LEU  39          HD21      LEU  39  -2.466   8.432  -6.832
  396   HD22  LEU  39          HD22      LEU  39  -2.077   7.099  -7.928
  397   HD23  LEU  39          HD23      LEU  39  -2.223   8.750  -8.566
  398    H    LEU  40           H        LEU  40   2.338   5.369  -8.637
  399    HA   LEU  40           HA       LEU  40   2.532   4.802  -5.782
  400    HB2  LEU  40           HB2      LEU  40   1.515   3.183  -7.367
  401    HB3  LEU  40           HB3      LEU  40   3.041   3.054  -8.222
  402    HG   LEU  40           HG       LEU  40   4.136   2.137  -6.195
  403   HD11  LEU  40          HD11      LEU  40   2.784   3.121  -4.409
  404   HD12  LEU  40          HD12      LEU  40   2.677   1.361  -4.299
  405   HD13  LEU  40          HD13      LEU  40   1.333   2.297  -5.004
  406   HD21  LEU  40          HD21      LEU  40   3.522   0.032  -6.646
  407   HD22  LEU  40          HD22      LEU  40   2.582   0.764  -7.946
  408   HD23  LEU  40          HD23      LEU  40   1.792   0.332  -6.419
  409    H    LEU  41           H        LEU  41   4.803   4.891  -8.545
  410    HA   LEU  41           HA       LEU  41   7.161   4.179  -7.182
  411    HB2  LEU  41           HB2      LEU  41   7.000   4.324  -9.588
  412    HB3  LEU  41           HB3      LEU  41   6.661   6.049  -9.512
  413    HG   LEU  41           HG       LEU  41   8.907   6.533  -8.723
  414   HD11  LEU  41          HD11      LEU  41   9.408   3.535  -8.989
  415   HD12  LEU  41          HD12      LEU  41   9.521   4.496  -7.493
  416   HD13  LEU  41          HD13      LEU  41  10.685   4.759  -8.787
  417   HD21  LEU  41          HD21      LEU  41   8.443   6.465 -11.135
  418   HD22  LEU  41          HD22      LEU  41   8.885   4.743 -11.183
  419   HD23  LEU  41          HD23      LEU  41  10.110   5.972 -10.794
  420    H    LYS  42           H        LYS  42   5.656   7.425  -7.388
  421    HA   LYS  42           HA       LYS  42   7.557   8.848  -5.799
  422    HB2  LYS  42           HB2      LYS  42   5.757   9.878  -7.124
  423    HB3  LYS  42           HB3      LYS  42   4.535   9.186  -6.051
  424    HG2  LYS  42           HG2      LYS  42   5.337  10.553  -4.173
  425    HG3  LYS  42           HG3      LYS  42   6.704  11.123  -5.141
  426    HD2  LYS  42           HD2      LYS  42   5.048  12.860  -5.066
  427    HD3  LYS  42           HD3      LYS  42   5.115  12.220  -6.716
  428    HE2  LYS  42           HE2      LYS  42   3.086  10.857  -6.272
  429    HE3  LYS  42           HE3      LYS  42   3.047  11.443  -4.603
  430    HZ1  LYS  42           HZ1      LYS  42   2.714  13.699  -5.474
  431    HZ2  LYS  42           HZ2      LYS  42   1.533  12.719  -6.022
  432    HZ3  LYS  42           HZ3      LYS  42   2.751  13.160  -7.015
  433    H    LEU  43           H        LEU  43   4.810   6.821  -4.721
  434    HA   LEU  43           HA       LEU  43   5.169   7.347  -1.895
  435    HB2  LEU  43           HB2      LEU  43   3.069   6.572  -2.874
  436    HB3  LEU  43           HB3      LEU  43   3.780   5.042  -3.331
  437    HG   LEU  43           HG       LEU  43   3.768   5.920  -0.433
  438   HD11  LEU  43          HD11      LEU  43   1.642   4.783  -0.124
  439   HD12  LEU  43          HD12      LEU  43   1.590   4.337  -1.833
  440   HD13  LEU  43          HD13      LEU  43   1.431   6.041  -1.346
  441   HD21  LEU  43          HD21      LEU  43   5.086   3.885  -0.799
  442   HD22  LEU  43          HD22      LEU  43   3.819   3.201  -1.843
  443   HD23  LEU  43          HD23      LEU  43   3.551   3.413  -0.106
  444    H    LEU  44           H        LEU  44   6.348   4.701  -4.051
  445    HA   LEU  44           HA       LEU  44   7.801   3.262  -2.055
  446    HB2  LEU  44           HB2      LEU  44   8.539   3.577  -4.991
  447    HB3  LEU  44           HB3      LEU  44   9.042   2.283  -3.914
  448    HG   LEU  44           HG       LEU  44   6.180   2.724  -4.832
  449   HD11  LEU  44          HD11      LEU  44   8.219   0.657  -5.722
  450   HD12  LEU  44          HD12      LEU  44   7.691   2.049  -6.682
  451   HD13  LEU  44          HD13      LEU  44   6.529   0.781  -6.263
  452   HD21  LEU  44          HD21      LEU  44   5.714   0.525  -3.957
  453   HD22  LEU  44          HD22      LEU  44   6.359   1.527  -2.651
  454   HD23  LEU  44          HD23      LEU  44   7.408   0.331  -3.467
  455    H    LYS  45           H        LYS  45   8.823   5.974  -4.158
  456    HA   LYS  45           HA       LYS  45  11.481   6.204  -3.042
  457    HB2  LYS  45           HB2      LYS  45   9.780   8.067  -4.714
  458    HB3  LYS  45           HB3      LYS  45  11.471   8.391  -4.289
  459    HG2  LYS  45           HG2      LYS  45  12.260   6.420  -5.431
  460    HG3  LYS  45           HG3      LYS  45  10.636   5.782  -5.634
  461    HD2  LYS  45           HD2      LYS  45  11.069   6.597  -7.711
  462    HD3  LYS  45           HD3      LYS  45  10.152   7.941  -7.000
  463    HE2  LYS  45           HE2      LYS  45  12.452   8.916  -6.399
  464    HE3  LYS  45           HE3      LYS  45  13.136   7.579  -7.367
  465    HZ1  LYS  45           HZ1      LYS  45  11.322   9.689  -8.422
  466    HZ2  LYS  45           HZ2      LYS  45  11.962   8.467  -9.302
  467    HZ3  LYS  45           HZ3      LYS  45  12.928   9.624  -8.683
  468    H    SER  46           H        SER  46   8.417   7.572  -1.979
  469    HA   SER  46           HA       SER  46   9.508   9.474  -0.110
  470    HB2  SER  46           HB2      SER  46   6.894   7.917   0.002
  471    HB3  SER  46           HB3      SER  46   7.338   9.259   1.062
  472    HG   SER  46           HG       SER  46   7.122   9.359  -1.780
  473    H    VAL  47           H        VAL  47   9.292   5.979  -0.006
  474    HA   VAL  47           HA       VAL  47  10.575   5.989   2.683
  475    HB   VAL  47           HB       VAL  47   9.976   3.728   3.019
  476   HG11  VAL  47          HG11      VAL  47   7.591   3.928   3.247
  477   HG12  VAL  47          HG12      VAL  47   8.327   5.499   3.603
  478   HG13  VAL  47          HG13      VAL  47   7.520   5.230   2.041
  479   HG21  VAL  47          HG21      VAL  47   8.586   2.419   1.540
  480   HG22  VAL  47          HG22      VAL  47   8.489   3.739   0.366
  481   HG23  VAL  47          HG23      VAL  47  10.036   2.913   0.645
  482    H    GLY  48           H        GLY  48  11.715   6.435  -0.163
  483    HA2  GLY  48           HA2      GLY  48  13.925   6.509  -0.722
  484    HA3  GLY  48           HA3      GLY  48  14.318   5.456   0.634
  485    H    ALA  49           H        ALA  49  12.059   4.470  -2.011
  486    HA   ALA  49           HA       ALA  49  13.650   2.094  -2.460
  487    HB1  ALA  49           HB1      ALA  49  11.149   2.259  -2.474
  488    HB2  ALA  49           HB2      ALA  49  11.271   3.152  -4.014
  489    HB3  ALA  49           HB3      ALA  49  11.841   1.464  -3.879
  490    H    GLN  50           H        GLN  50  15.136   1.684  -4.036
  491    HA   GLN  50           HA       GLN  50  16.269   4.016  -5.361
  492    HB2  GLN  50           HB2      GLN  50  17.602   2.498  -3.999
  493    HB3  GLN  50           HB3      GLN  50  17.177   1.140  -5.034
  494    HG2  GLN  50           HG2      GLN  50  19.443   1.840  -5.485
  495    HG3  GLN  50           HG3      GLN  50  18.453   2.104  -6.905
  496   HE21  GLN  50          HE21      GLN  50  20.310   3.560  -7.532
  497   HE22  GLN  50          HE22      GLN  50  20.319   5.195  -6.884
  498    H    LYS  51           H        LYS  51  14.578   1.173  -6.549
  499    HA   LYS  51           HA       LYS  51  15.750   1.292  -9.246
  500    HB2  LYS  51           HB2      LYS  51  13.607  -0.521  -8.076
  501    HB3  LYS  51           HB3      LYS  51  14.423  -0.745  -9.625
  502    HG2  LYS  51           HG2      LYS  51  16.611  -0.943  -8.421
  503    HG3  LYS  51           HG3      LYS  51  15.740  -0.905  -6.880
  504    HD2  LYS  51           HD2      LYS  51  15.313  -2.953  -9.098
  505    HD3  LYS  51           HD3      LYS  51  16.288  -3.213  -7.645
  506    HE2  LYS  51           HE2      LYS  51  14.322  -2.948  -6.205
  507    HE3  LYS  51           HE3      LYS  51  13.315  -2.528  -7.596
  508    HZ1  LYS  51           HZ1      LYS  51  13.719  -4.744  -8.489
  509    HZ2  LYS  51           HZ2      LYS  51  13.017  -4.832  -7.011
  510    HZ3  LYS  51           HZ3      LYS  51  14.607  -5.159  -7.164
  511    H    ASP  52           H        ASP  52  14.366   0.993 -11.153
  512    HA   ASP  52           HA       ASP  52  11.863   2.606 -11.141
  513    HB2  ASP  52           HB2      ASP  52  12.214   2.934 -13.522
  514    HB3  ASP  52           HB3      ASP  52  13.530   3.565 -12.553
  515    H    THR  53           H        THR  53  12.648  -0.500 -10.830
  516    HA   THR  53           HA       THR  53  10.122  -1.564 -12.011
  517    HB   THR  53           HB       THR  53  11.627  -3.706 -12.415
  518    HG1  THR  53           HG1      THR  53  13.688  -3.149 -13.228
  519   HG21  THR  53          HG21      THR  53  10.392  -2.559 -14.195
  520   HG22  THR  53          HG22      THR  53  11.965  -3.161 -14.746
  521   HG23  THR  53          HG23      THR  53  11.754  -1.426 -14.398
  522    H    TYR  54           H        TYR  54   9.261  -3.142 -10.673
  523    HA   TYR  54           HA       TYR  54  10.769  -4.032  -8.269
  524    HB2  TYR  54           HB2      TYR  54   8.146  -2.508  -8.220
  525    HB3  TYR  54           HB3      TYR  54   8.818  -3.377  -6.849
  526    HD1  TYR  54           HD2      TYR  54  10.864  -2.612  -5.696
  527    HD2  TYR  54           HD1      TYR  54   9.112  -0.388  -8.948
  528    HE1  TYR  54           HE2      TYR  54  12.241  -0.615  -5.086
  529    HE2  TYR  54           HE1      TYR  54  10.498   1.588  -8.349
  530    HH   TYR  54           HH       TYR  54  12.291   2.293  -7.124
  531    H    THR  55           H        THR  55   9.923  -5.851  -7.134
  532    HA   THR  55           HA       THR  55   8.051  -7.503  -8.701
  533    HB   THR  55           HB       THR  55   8.457  -9.327  -7.494
  534    HG1  THR  55           HG1      THR  55   9.330  -9.263  -5.376
  535   HG21  THR  55          HG21      THR  55  10.598  -8.629  -8.529
  536   HG22  THR  55          HG22      THR  55  10.832  -9.591  -7.064
  537   HG23  THR  55          HG23      THR  55  11.067  -7.835  -7.010
  538    H    MET  56           H        MET  56   6.033  -8.454  -7.814
  539    HA   MET  56           HA       MET  56   4.345  -6.472  -6.632
  540    HB2  MET  56           HB2      MET  56   3.998  -9.497  -6.757
  541    HB3  MET  56           HB3      MET  56   2.739  -8.344  -6.315
  542    HG2  MET  56           HG2      MET  56   4.124  -8.558  -9.007
  543    HG3  MET  56           HG3      MET  56   2.488  -9.003  -8.646
  544    HE1  MET  56           HE1      MET  56   0.659  -7.669  -8.774
  545    HE2  MET  56           HE2      MET  56   1.125  -6.939  -7.226
  546    HE3  MET  56           HE3      MET  56   0.520  -5.894  -8.549
  547    H    LYS  57           H        LYS  57   6.317  -9.010  -5.098
  548    HA   LYS  57           HA       LYS  57   5.312  -8.568  -2.413
  549    HB2  LYS  57           HB2      LYS  57   6.396 -10.650  -3.124
  550    HB3  LYS  57           HB3      LYS  57   7.923  -9.814  -3.393
  551    HG2  LYS  57           HG2      LYS  57   6.604  -9.629  -0.680
  552    HG3  LYS  57           HG3      LYS  57   7.372 -11.144  -1.158
  553    HD2  LYS  57           HD2      LYS  57   9.534 -10.008  -1.474
  554    HD3  LYS  57           HD3      LYS  57   8.802  -8.450  -1.096
  555    HE2  LYS  57           HE2      LYS  57   9.988  -9.213   0.838
  556    HE3  LYS  57           HE3      LYS  57   8.259  -9.188   1.177
  557    HZ1  LYS  57           HZ1      LYS  57   8.223 -11.605   0.866
  558    HZ2  LYS  57           HZ2      LYS  57   9.331 -11.219   1.997
  559    HZ3  LYS  57           HZ3      LYS  57   9.818 -11.629   0.495
  560    H    GLU  58           H        GLU  58   8.079  -7.217  -4.264
  561    HA   GLU  58           HA       GLU  58   9.088  -5.566  -2.131
  562    HB2  GLU  58           HB2      GLU  58   9.221  -5.323  -5.145
  563    HB3  GLU  58           HB3      GLU  58  10.010  -4.182  -4.053
  564    HG2  GLU  58           HG2      GLU  58  11.372  -5.934  -3.070
  565    HG3  GLU  58           HG3      GLU  58  10.567  -7.172  -4.038
  566    H    VAL  59           H        VAL  59   6.659  -4.869  -4.686
  567    HA   VAL  59           HA       VAL  59   6.126  -2.158  -3.912
  568    HB   VAL  59           HB       VAL  59   4.394  -4.246  -5.299
  569   HG11  VAL  59          HG11      VAL  59   2.843  -2.670  -4.259
  570   HG12  VAL  59          HG12      VAL  59   3.817  -1.296  -4.812
  571   HG13  VAL  59          HG13      VAL  59   2.946  -2.320  -5.984
  572   HG21  VAL  59          HG21      VAL  59   6.381  -3.413  -6.565
  573   HG22  VAL  59          HG22      VAL  59   4.865  -2.892  -7.302
  574   HG23  VAL  59          HG23      VAL  59   5.821  -1.748  -6.334
  575    H    LEU  60           H        LEU  60   4.445  -5.234  -2.903
  576    HA   LEU  60           HA       LEU  60   2.726  -3.995  -1.001
  577    HB2  LEU  60           HB2      LEU  60   3.933  -6.773  -1.220
  578    HB3  LEU  60           HB3      LEU  60   2.916  -6.344   0.146
  579    HG   LEU  60           HG       LEU  60   1.968  -6.089  -2.735
  580   HD11  LEU  60          HD11      LEU  60   2.512  -8.445  -2.185
  581   HD12  LEU  60          HD12      LEU  60   0.768  -8.196  -2.354
  582   HD13  LEU  60          HD13      LEU  60   1.485  -8.333  -0.734
  583   HD21  LEU  60          HD21      LEU  60  -0.282  -6.120  -1.668
  584   HD22  LEU  60          HD22      LEU  60   0.664  -4.738  -1.108
  585   HD23  LEU  60          HD23      LEU  60   0.477  -6.159  -0.062
  586    H    PHE  61           H        PHE  61   6.043  -5.316  -0.546
  587    HA   PHE  61           HA       PHE  61   6.290  -4.771   2.190
  588    HB2  PHE  61           HB2      PHE  61   7.808  -6.254   1.267
  589    HB3  PHE  61           HB3      PHE  61   8.253  -5.159  -0.018
  590    HD1  PHE  61           HD1      PHE  61   9.863  -3.337   0.275
  591    HD2  PHE  61           HD2      PHE  61   8.917  -6.088   3.465
  592    HE1  PHE  61           HE1      PHE  61  11.911  -2.642   1.489
  593    HE2  PHE  61           HE2      PHE  61  10.968  -5.385   4.674
  594    HZ   PHE  61           HZ       PHE  61  12.474  -3.671   3.681
  595    H    TYR  62           H        TYR  62   7.445  -2.596  -0.406
  596    HA   TYR  62           HA       TYR  62   8.075  -0.485   1.423
  597    HB2  TYR  62           HB2      TYR  62   7.656  -0.590  -1.539
  598    HB3  TYR  62           HB3      TYR  62   8.021   0.920  -0.717
  599    HD1  TYR  62           HD1      TYR  62  10.140   0.580   1.085
  600    HD2  TYR  62           HD2      TYR  62   9.495  -1.499  -2.642
  601    HE1  TYR  62           HE1      TYR  62  12.589   0.245   0.845
  602    HE2  TYR  62           HE2      TYR  62  11.942  -1.871  -2.857
  603    HH   TYR  62           HH       TYR  62  14.011  -1.554  -1.910
  604    H    LEU  63           H        LEU  63   5.062  -1.143  -0.345
  605    HA   LEU  63           HA       LEU  63   3.732   1.284   0.338
  606    HB2  LEU  63           HB2      LEU  63   3.072  -0.237  -1.465
  607    HB3  LEU  63           HB3      LEU  63   2.701  -1.502  -0.295
  608    HG   LEU  63           HG       LEU  63   0.805  -0.192   0.570
  609   HD11  LEU  63          HD11      LEU  63   0.074   1.825  -0.771
  610   HD12  LEU  63          HD12      LEU  63   1.668   1.835  -1.542
  611   HD13  LEU  63          HD13      LEU  63   1.516   2.102   0.216
  612   HD21  LEU  63          HD21      LEU  63  -0.600  -0.348  -1.450
  613   HD22  LEU  63          HD22      LEU  63   0.502  -1.731  -1.372
  614   HD23  LEU  63          HD23      LEU  63   0.843  -0.388  -2.479
  615    H    GLY  64           H        GLY  64   3.872  -1.884   2.009
  616    HA2  GLY  64           HA2      GLY  64   2.304  -1.188   4.300
  617    HA3  GLY  64           HA3      GLY  64   3.549  -2.436   4.219
  618    H    GLN  65           H        GLN  65   5.887  -0.934   3.738
  619    HA   GLN  65           HA       GLN  65   6.491   0.233   6.274
  620    HB2  GLN  65           HB2      GLN  65   7.872   0.434   3.573
  621    HB3  GLN  65           HB3      GLN  65   8.480   1.219   5.033
  622    HG2  GLN  65           HG2      GLN  65   8.467  -1.011   6.193
  623    HG3  GLN  65           HG3      GLN  65   8.103  -1.781   4.655
  624   HE21  GLN  65          HE21      GLN  65  10.479  -2.260   6.261
  625   HE22  GLN  65          HE22      GLN  65  11.844  -1.706   5.301
  626    H    TYR  66           H        TYR  66   5.276   1.813   3.291
  627    HA   TYR  66           HA       TYR  66   5.534   4.478   4.342
  628    HB2  TYR  66           HB2      TYR  66   5.381   4.123   1.977
  629    HB3  TYR  66           HB3      TYR  66   3.813   3.363   2.150
  630    HD1  TYR  66           HD2      TYR  66   1.767   4.669   2.546
  631    HD2  TYR  66           HD1      TYR  66   5.621   6.570   2.186
  632    HE1  TYR  66           HE2      TYR  66   0.653   6.865   2.179
  633    HE2  TYR  66           HE1      TYR  66   4.505   8.765   1.820
  634    HH   TYR  66           HH       TYR  66   0.950   9.080   1.639
  635    H    ILE  67           H        ILE  67   2.714   2.274   4.240
  636    HA   ILE  67           HA       ILE  67   0.884   3.934   5.657
  637    HB   ILE  67           HB       ILE  67   1.120   0.904   5.541
  638   HG12  ILE  67          HG12      ILE  67  -0.859   2.581   3.982
  639   HG13  ILE  67          HG13      ILE  67   0.747   2.304   3.343
  640   HG21  ILE  67          HG21      ILE  67  -0.319   1.446   7.425
  641   HG22  ILE  67          HG22      ILE  67  -1.177   2.674   6.472
  642   HG23  ILE  67          HG23      ILE  67  -1.373   0.970   6.097
  643   HD11  ILE  67          HD11      ILE  67   0.407  -0.147   3.427
  644   HD12  ILE  67          HD12      ILE  67  -1.252   0.109   4.017
  645   HD13  ILE  67          HD13      ILE  67  -0.783   0.665   2.407
  646    H    MET  68           H        MET  68   3.261   1.582   6.870
  647    HA   MET  68           HA       MET  68   2.784   1.814   9.658
  648    HB2  MET  68           HB2      MET  68   4.104   0.028   8.590
  649    HB3  MET  68           HB3      MET  68   5.314   1.213   8.097
  650    HG2  MET  68           HG2      MET  68   5.558   1.705  10.651
  651    HG3  MET  68           HG3      MET  68   4.734   0.162  10.864
  652    HE1  MET  68           HE1      MET  68   7.325  -2.320   9.145
  653    HE2  MET  68           HE2      MET  68   5.803  -2.196  10.046
  654    HE3  MET  68           HE3      MET  68   5.912  -1.567   8.382
  655    H    THR  69           H        THR  69   5.358   3.495   7.709
  656    HA   THR  69           HA       THR  69   6.170   5.089   9.907
  657    HB   THR  69           HB       THR  69   7.495   4.479   7.828
  658    HG1  THR  69           HG1      THR  69   8.796   6.254   8.201
  659   HG21  THR  69          HG21      THR  69   5.971   5.604   6.168
  660   HG22  THR  69          HG22      THR  69   7.650   6.148   6.078
  661   HG23  THR  69          HG23      THR  69   6.422   7.175   6.852
  662    H    LYS  70           H        LYS  70   3.744   5.802   7.492
  663    HA   LYS  70           HA       LYS  70   3.211   8.528   8.425
  664    HB2  LYS  70           HB2      LYS  70   1.769   6.560   6.625
  665    HB3  LYS  70           HB3      LYS  70   1.192   8.191   6.919
  666    HG2  LYS  70           HG2      LYS  70   4.034   7.874   5.942
  667    HG3  LYS  70           HG3      LYS  70   2.742   7.491   4.824
  668    HD2  LYS  70           HD2      LYS  70   3.048  10.173   6.238
  669    HD3  LYS  70           HD3      LYS  70   3.543   9.794   4.578
  670    HE2  LYS  70           HE2      LYS  70   1.104   9.023   4.207
  671    HE3  LYS  70           HE3      LYS  70   0.725   9.850   5.721
  672    HZ1  LYS  70           HZ1      LYS  70   1.855  11.099   3.282
  673    HZ2  LYS  70           HZ2      LYS  70   1.594  11.909   4.691
  674    HZ3  LYS  70           HZ3      LYS  70   0.332  11.293   3.840
  675    H    ARG  71           H        ARG  71   2.314   5.440   9.630
  676    HA   ARG  71           HA       ARG  71   0.731   4.601  10.995
  677    HB2  ARG  71           HB2      ARG  71   0.904   7.307  12.368
  678    HB3  ARG  71           HB3      ARG  71   0.150   5.858  13.018
  679    HG2  ARG  71           HG2      ARG  71   2.152   5.663  14.054
  680    HG3  ARG  71           HG3      ARG  71   2.476   4.716  12.610
  681    HD2  ARG  71           HD2      ARG  71   4.381   6.116  13.010
  682    HD3  ARG  71           HD3      ARG  71   3.543   6.760  11.598
  683    HE   ARG  71           HE       ARG  71   2.917   7.922  14.261
  684   HH11  ARG  71          HH11      ARG  71   4.659   8.455  11.237
  685   HH12  ARG  71          HH12      ARG  71   4.767  10.169  11.537
  686   HH21  ARG  71          HH21      ARG  71   3.100  10.102  14.532
  687   HH22  ARG  71          HH22      ARG  71   3.921  11.065  13.341
  688    H    LEU  72           H        LEU  72  -0.411   5.033   8.725
  689    HA   LEU  72           HA       LEU  72  -2.819   6.684   8.890
  690    HB2  LEU  72           HB2      LEU  72  -2.055   4.564   6.863
  691    HB3  LEU  72           HB3      LEU  72  -3.348   5.734   6.675
  692    HG   LEU  72           HG       LEU  72  -0.401   6.420   6.931
  693   HD11  LEU  72          HD11      LEU  72  -0.486   6.966   4.546
  694   HD12  LEU  72          HD12      LEU  72  -2.170   6.407   4.469
  695   HD13  LEU  72          HD13      LEU  72  -0.857   5.260   4.827
  696   HD21  LEU  72          HD21      LEU  72  -1.146   8.667   6.108
  697   HD22  LEU  72          HD22      LEU  72  -1.773   8.263   7.712
  698   HD23  LEU  72          HD23      LEU  72  -2.829   8.132   6.284
  699    H    TYR  73           H        TYR  73  -2.175   3.696  10.258
  700    HA   TYR  73           HA       TYR  73  -4.758   2.491   9.938
  701    HB2  TYR  73           HB2      TYR  73  -4.053   1.026  11.867
  702    HB3  TYR  73           HB3      TYR  73  -3.176   0.940  10.353
  703    HD1  TYR  73           HD1      TYR  73  -3.022   2.114  13.851
  704    HD2  TYR  73           HD2      TYR  73  -0.827   1.619  10.168
  705    HE1  TYR  73           HE1      TYR  73  -0.889   2.496  15.076
  706    HE2  TYR  73           HE2      TYR  73   1.309   2.018  11.401
  707    HH   TYR  73           HH       TYR  73   1.394   2.587  14.935
  708    H    ASP  74           H        ASP  74  -6.455   2.130  11.398
  709    HA   ASP  74           HA       ASP  74  -7.248   4.410  13.033
  710    HB2  ASP  74           HB2      ASP  74  -8.731   2.615  11.833
  711    HB3  ASP  74           HB3      ASP  74  -8.339   1.576  13.185
  712    H    GLU  75           H        GLU  75  -7.380   4.430  15.371
  713    HA   GLU  75           HA       GLU  75  -5.159   3.101  16.729
  714    HB2  GLU  75           HB2      GLU  75  -5.849   4.353  18.677
  715    HB3  GLU  75           HB3      GLU  75  -5.786   5.390  17.251
  716    HG2  GLU  75           HG2      GLU  75  -8.305   5.170  17.063
  717    HG3  GLU  75           HG3      GLU  75  -8.296   4.288  18.590
  718    H    LYS  76           H        LYS  76  -8.665   2.686  16.690
  719    HA   LYS  76           HA       LYS  76  -8.665   0.718  18.864
  720    HB2  LYS  76           HB2      LYS  76 -11.107   0.755  18.555
  721    HB3  LYS  76           HB3      LYS  76 -10.401   2.350  18.833
  722    HG2  LYS  76           HG2      LYS  76 -10.581   2.851  16.415
  723    HG3  LYS  76           HG3      LYS  76 -11.310   1.259  16.139
  724    HD2  LYS  76           HD2      LYS  76 -13.142   1.918  17.761
  725    HD3  LYS  76           HD3      LYS  76 -12.444   3.539  17.818
  726    HE2  LYS  76           HE2      LYS  76 -13.601   2.115  15.378
  727    HE3  LYS  76           HE3      LYS  76 -14.344   3.443  16.274
  728    HZ1  LYS  76           HZ1      LYS  76 -12.380   4.817  15.583
  729    HZ2  LYS  76           HZ2      LYS  76 -13.290   4.314  14.319
  730    HZ3  LYS  76           HZ3      LYS  76 -11.873   3.574  14.630
  731    H    GLN  77           H        GLN  77  -9.008   0.546  15.371
  732    HA   GLN  77           HA       GLN  77  -8.701  -2.429  15.560
  733    HB2  GLN  77           HB2      GLN  77 -10.448  -0.913  13.585
  734    HB3  GLN  77           HB3      GLN  77 -10.088  -2.636  13.510
  735    HG2  GLN  77           HG2      GLN  77 -11.653  -1.225  15.709
  736    HG3  GLN  77           HG3      GLN  77 -12.324  -2.182  14.397
  737   HE21  GLN  77          HE21      GLN  77 -13.008  -2.831  17.008
  738   HE22  GLN  77          HE22      GLN  77 -12.236  -4.356  17.419
  739    H    GLN  78           H        GLN  78  -6.476  -2.311  15.268
  740    HA   GLN  78           HA       GLN  78  -5.307  -0.386  13.474
  741    HB2  GLN  78           HB2      GLN  78  -4.169  -2.621  15.157
  742    HB3  GLN  78           HB3      GLN  78  -3.147  -1.573  14.152
  743    HG2  GLN  78           HG2      GLN  78  -3.781   0.398  15.342
  744    HG3  GLN  78           HG3      GLN  78  -5.144  -0.396  16.119
  745   HE21  GLN  78          HE21      GLN  78  -4.516   0.220  18.203
  746   HE22  GLN  78          HE22      GLN  78  -3.093  -0.487  18.974
  747    H    HIS  79           H        HIS  79  -6.742  -3.254  12.677
  748    HA   HIS  79           HA       HIS  79  -5.147  -3.750  10.251
  749    HB2  HIS  79           HB2      HIS  79  -6.675  -5.559   9.881
  750    HB3  HIS  79           HB3      HIS  79  -6.169  -5.563  11.574
  751    HD1  HIS  79           HD1      HIS  79  -9.287  -4.362   9.558
  752    HD2  HIS  79           HD2      HIS  79  -8.058  -5.878  13.294
  753    HE1  HIS  79           HE1      HIS  79 -11.411  -4.690  10.942
  754    H    ILE  80           H        ILE  80  -7.528  -1.435  11.131
  755    HA   ILE  80           HA       ILE  80  -8.511  -1.149   8.333
  756    HB   ILE  80           HB       ILE  80  -9.443   0.407  10.756
  757   HG12  ILE  80          HG12      ILE  80 -10.585  -2.156   9.563
  758   HG13  ILE  80          HG13      ILE  80  -9.924  -1.943  11.184
  759   HG21  ILE  80          HG21      ILE  80  -9.869   1.444   8.514
  760   HG22  ILE  80          HG22      ILE  80 -10.694  -0.042   8.000
  761   HG23  ILE  80          HG23      ILE  80 -11.357   0.971   9.301
  762   HD11  ILE  80          HD11      ILE  80 -12.279  -1.995  11.418
  763   HD12  ILE  80          HD12      ILE  80 -11.792  -0.306  11.663
  764   HD13  ILE  80          HD13      ILE  80 -12.530  -0.817  10.124
  765    H    VAL  81           H        VAL  81  -7.989   0.594   7.087
  766    HA   VAL  81           HA       VAL  81  -5.931   2.490   8.111
  767    HB   VAL  81           HB       VAL  81  -5.982   1.418   5.293
  768   HG11  VAL  81          HG11      VAL  81  -3.659   2.250   5.247
  769   HG12  VAL  81          HG12      VAL  81  -4.783   3.562   5.600
  770   HG13  VAL  81          HG13      VAL  81  -3.825   2.834   6.915
  771   HG21  VAL  81          HG21      VAL  81  -5.519  -0.515   6.701
  772   HG22  VAL  81          HG22      VAL  81  -4.030   0.013   5.921
  773   HG23  VAL  81          HG23      VAL  81  -4.314   0.408   7.632
  774    H    TYR  82           H        TYR  82  -6.137   4.586   7.712
  775    HA   TYR  82           HA       TYR  82  -8.363   5.568   5.996
  776    HB2  TYR  82           HB2      TYR  82  -7.597   6.428   8.790
  777    HB3  TYR  82           HB3      TYR  82  -8.586   7.401   7.721
  778    HD1  TYR  82           HD2      TYR  82  -8.487   4.297   9.730
  779    HD2  TYR  82           HD1      TYR  82 -10.894   6.854   7.221
  780    HE1  TYR  82           HE2      TYR  82 -10.555   3.135  10.513
  781    HE2  TYR  82           HE1      TYR  82 -12.947   5.671   7.981
  782    HH   TYR  82           HH       TYR  82 -13.812   4.025   9.320
  783    H    CYS  83           H        CYS  83  -7.826   6.992   4.443
  784    HA   CYS  83           HA       CYS  83  -5.671   8.948   4.862
  785    HB2  CYS  83           HB2      CYS  83  -4.529   6.769   4.236
  786    HB3  CYS  83           HB3      CYS  83  -5.359   6.856   2.670
  787    HG   CYS  83           HG       CYS  83  -4.464   9.211   2.019
  788    H    SER  84           H        SER  84  -8.291   9.576   4.539
  789    HA   SER  84           HA       SER  84  -9.129  10.040   1.842
  790    HB2  SER  84           HB2      SER  84 -10.675  11.699   2.837
  791    HB3  SER  84           HB3      SER  84 -10.737  10.107   3.608
  792    HG   SER  84           HG       SER  84 -10.710  11.831   5.134
  793    H    ASN  85           H        ASN  85  -8.798  11.624   0.429
  794    HA   ASN  85           HA       ASN  85  -7.736  13.210  -0.732
  795    HB2  ASN  85           HB2      ASN  85  -7.987  14.776   1.855
  796    HB3  ASN  85           HB3      ASN  85  -7.701  15.475   0.267
  797   HD21  ASN  85          HD21      ASN  85  -9.982  15.883   2.134
  798   HD22  ASN  85          HD22      ASN  85 -11.391  15.501   1.153
  799    H    ASP  86           H        ASP  86  -5.869  11.332   0.716
  800    HA   ASP  86           HA       ASP  86  -3.421  12.862   0.069
  801    HB2  ASP  86           HB2      ASP  86  -3.633  13.068   2.455
  802    HB3  ASP  86           HB3      ASP  86  -3.812  11.338   2.645
  803    H    LEU  87           H        LEU  87  -1.488  11.352  -0.122
  804    HA   LEU  87           HA       LEU  87  -1.781  10.127  -2.508
  805    HB2  LEU  87           HB2      LEU  87   0.283  10.949  -1.500
  806    HB3  LEU  87           HB3      LEU  87   0.317   9.577  -0.397
  807    HG   LEU  87           HG       LEU  87   0.691   8.026  -2.277
  808   HD11  LEU  87          HD11      LEU  87  -0.475   9.170  -4.097
  809   HD12  LEU  87          HD12      LEU  87   1.219   8.939  -4.530
  810   HD13  LEU  87          HD13      LEU  87   0.654  10.543  -3.998
  811   HD21  LEU  87          HD21      LEU  87   2.635   9.024  -1.180
  812   HD22  LEU  87          HD22      LEU  87   2.544  10.447  -2.239
  813   HD23  LEU  87          HD23      LEU  87   2.957   8.864  -2.917
  814    H    LEU  88           H        LEU  88  -1.966   8.194   0.547
  815    HA   LEU  88           HA       LEU  88  -1.953   5.670  -0.858
  816    HB2  LEU  88           HB2      LEU  88  -1.491   6.123   1.668
  817    HB3  LEU  88           HB3      LEU  88  -3.242   6.153   1.826
  818    HG   LEU  88           HG       LEU  88  -3.122   3.834   0.550
  819   HD11  LEU  88          HD11      LEU  88  -0.405   4.000   1.895
  820   HD12  LEU  88          HD12      LEU  88  -0.691   3.957   0.143
  821   HD13  LEU  88          HD13      LEU  88  -1.127   2.563   1.141
  822   HD21  LEU  88          HD21      LEU  88  -2.985   2.675   2.721
  823   HD22  LEU  88          HD22      LEU  88  -4.062   4.084   2.764
  824   HD23  LEU  88          HD23      LEU  88  -2.442   4.186   3.480
  825    H    GLY  89           H        GLY  89  -4.591   7.835   0.203
  826    HA2  GLY  89           HA2      GLY  89  -6.756   6.083  -0.649
  827    HA3  GLY  89           HA3      GLY  89  -6.870   7.800  -0.228
  828    H    ASP  90           H        ASP  90  -4.871   8.730  -2.123
  829    HA   ASP  90           HA       ASP  90  -6.368   8.865  -4.579
  830    HB2  ASP  90           HB2      ASP  90  -3.542   9.679  -3.874
  831    HB3  ASP  90           HB3      ASP  90  -4.228   9.884  -5.478
  832    H    LEU  91           H        LEU  91  -3.692   6.777  -3.600
  833    HA   LEU  91           HA       LEU  91  -3.437   5.406  -6.139
  834    HB2  LEU  91           HB2      LEU  91  -2.601   4.895  -3.271
  835    HB3  LEU  91           HB3      LEU  91  -2.448   3.613  -4.452
  836    HG   LEU  91           HG       LEU  91  -1.125   6.327  -4.810
  837   HD11  LEU  91          HD11      LEU  91   0.913   5.204  -4.117
  838   HD12  LEU  91          HD12      LEU  91  -0.024   3.733  -3.724
  839   HD13  LEU  91          HD13      LEU  91  -0.311   5.245  -2.834
  840   HD21  LEU  91          HD21      LEU  91  -0.659   3.624  -6.154
  841   HD22  LEU  91          HD22      LEU  91   0.211   5.139  -6.472
  842   HD23  LEU  91          HD23      LEU  91  -1.483   4.994  -6.923
  843    H    PHE  92           H        PHE  92  -5.034   4.366  -3.052
  844    HA   PHE  92           HA       PHE  92  -6.186   2.095  -4.354
  845    HB2  PHE  92           HB2      PHE  92  -6.508   3.206  -1.595
  846    HB3  PHE  92           HB3      PHE  92  -7.523   1.898  -2.171
  847    HD1  PHE  92           HD1      PHE  92  -6.405  -0.183  -3.208
  848    HD2  PHE  92           HD2      PHE  92  -4.386   2.619  -0.665
  849    HE1  PHE  92           HE1      PHE  92  -4.672  -1.902  -2.703
  850    HE2  PHE  92           HE2      PHE  92  -2.661   0.901  -0.129
  851    HZ   PHE  92           HZ       PHE  92  -2.810  -1.361  -1.159
  852    H    GLY  93           H        GLY  93  -7.428   5.271  -4.312
  853    HA2  GLY  93           HA2      GLY  93  -9.258   6.102  -5.452
  854    HA3  GLY  93           HA3      GLY  93  -9.742   4.466  -5.910
  855    H    VAL  94           H        VAL  94  -9.194   5.055  -2.525
  856    HA   VAL  94           HA       VAL  94 -12.042   5.544  -1.880
  857    HB   VAL  94           HB       VAL  94 -11.897   3.711  -0.119
  858   HG11  VAL  94          HG11      VAL  94 -13.326   3.526  -2.089
  859   HG12  VAL  94          HG12      VAL  94 -11.991   2.774  -3.001
  860   HG13  VAL  94          HG13      VAL  94 -12.681   1.951  -1.588
  861   HG21  VAL  94          HG21      VAL  94  -9.452   3.196  -0.282
  862   HG22  VAL  94          HG22      VAL  94 -10.487   1.778  -0.484
  863   HG23  VAL  94          HG23      VAL  94  -9.742   2.523  -1.905
  864    HA   PRO  95           HA       PRO  95 -10.036   7.861   1.385
  865    HB2  PRO  95           HB2      PRO  95 -12.045   8.089   3.230
  866    HB3  PRO  95           HB3      PRO  95 -12.088   8.919   1.645
  867    HG2  PRO  95           HG2      PRO  95 -13.402   6.279   2.393
  868    HG3  PRO  95           HG3      PRO  95 -14.146   7.693   1.578
  869    HD2  PRO  95           HD2      PRO  95 -13.214   5.561   0.193
  870    HD3  PRO  95           HD3      PRO  95 -13.036   7.216  -0.447
  871    H    SER  96           H        SER  96 -11.436   4.693   2.057
  872    HA   SER  96           HA       SER  96  -9.323   4.031   3.942
  873    HB2  SER  96           HB2      SER  96 -10.820   3.420   5.793
  874    HB3  SER  96           HB3      SER  96 -10.918   5.148   5.437
  875    HG   SER  96           HG       SER  96 -12.892   4.848   4.477
  876    H    PHE  97           H        PHE  97  -9.341   1.776   4.594
  877    HA   PHE  97           HA       PHE  97 -11.203  -0.134   3.417
  878    HB2  PHE  97           HB2      PHE  97  -9.663  -1.287   1.997
  879    HB3  PHE  97           HB3      PHE  97  -9.572   0.387   1.503
  880    HD1  PHE  97           HD1      PHE  97  -7.810  -2.426   3.054
  881    HD2  PHE  97           HD2      PHE  97  -7.499   1.721   1.944
  882    HE1  PHE  97           HE1      PHE  97  -5.370  -2.496   3.492
  883    HE2  PHE  97           HE2      PHE  97  -5.042   1.626   2.306
  884    HZ   PHE  97           HZ       PHE  97  -3.978  -0.494   3.110
  885    H    SER  98           H        SER  98 -10.398  -2.429   4.108
  886    HA   SER  98           HA       SER  98  -8.760  -2.299   6.618
  887    HB2  SER  98           HB2      SER  98 -11.060  -2.693   7.211
  888    HB3  SER  98           HB3      SER  98 -11.177  -4.006   6.029
  889    HG   SER  98           HG       SER  98 -10.809  -4.906   8.002
  890    H    VAL  99           H        VAL  99  -7.059  -3.557   6.773
  891    HA   VAL  99           HA       VAL  99  -6.015  -5.110   4.618
  892    HB   VAL  99           HB       VAL  99  -5.124  -5.318   7.465
  893   HG11  VAL  99          HG11      VAL  99  -2.911  -5.677   6.402
  894   HG12  VAL  99          HG12      VAL  99  -4.057  -6.931   5.922
  895   HG13  VAL  99          HG13      VAL  99  -3.670  -5.599   4.802
  896   HG21  VAL  99          HG21      VAL  99  -3.519  -3.519   6.999
  897   HG22  VAL  99          HG22      VAL  99  -4.237  -3.260   5.392
  898   HG23  VAL  99          HG23      VAL  99  -5.151  -2.893   6.862
  899    H    LYS 100           H        LYS 100  -8.270  -5.936   7.079
  900    HA   LYS 100           HA       LYS 100  -8.097  -8.803   7.051
  901    HB2  LYS 100           HB2      LYS 100  -9.449  -7.047   8.545
  902    HB3  LYS 100           HB3      LYS 100 -10.672  -7.219   7.301
  903    HG2  LYS 100           HG2      LYS 100 -11.333  -8.743   8.945
  904    HG3  LYS 100           HG3      LYS 100 -10.567  -9.761   7.742
  905    HD2  LYS 100           HD2      LYS 100  -9.862 -10.491   9.939
  906    HD3  LYS 100           HD3      LYS 100  -8.475  -9.800   9.109
  907    HE2  LYS 100           HE2      LYS 100  -8.451  -9.075  11.419
  908    HE3  LYS 100           HE3      LYS 100  -8.754  -7.682  10.387
  909    HZ1  LYS 100           HZ1      LYS 100 -10.260  -7.602  12.222
  910    HZ2  LYS 100           HZ2      LYS 100 -10.762  -9.150  12.011
  911    HZ3  LYS 100           HZ3      LYS 100 -11.169  -7.989  10.932
  912    H    GLU 101           H        GLU 101  -9.265  -6.565   4.631
  913    HA   GLU 101           HA       GLU 101 -11.154  -8.419   3.432
  914    HB2  GLU 101           HB2      GLU 101 -10.256  -5.642   2.604
  915    HB3  GLU 101           HB3      GLU 101 -11.567  -6.535   1.842
  916    HG2  GLU 101           HG2      GLU 101 -12.879  -6.596   3.852
  917    HG3  GLU 101           HG3      GLU 101 -11.578  -5.909   4.818
  918    H    HIS 102           H        HIS 102  -7.933  -8.426   3.123
  919    HA   HIS 102           HA       HIS 102  -6.409  -9.114   1.499
  920    HB2  HIS 102           HB2      HIS 102  -8.393 -11.256   2.188
  921    HB3  HIS 102           HB3      HIS 102  -7.111 -11.604   1.035
  922    HD1  HIS 102           HD1      HIS 102  -5.040 -12.619   2.099
  923    HD2  HIS 102           HD2      HIS 102  -7.157 -10.017   4.641
  924    HE1  HIS 102           HE1      HIS 102  -3.756 -12.560   4.291
  925    H    ARG 103           H        ARG 103  -9.105 -10.776  -0.093
  926    HA   ARG 103           HA       ARG 103  -8.218 -10.558  -2.758
  927    HB2  ARG 103           HB2      ARG 103 -11.003 -10.779  -1.562
  928    HB3  ARG 103           HB3      ARG 103 -10.702 -10.808  -3.300
  929    HG2  ARG 103           HG2      ARG 103  -9.227 -12.771  -3.050
  930    HG3  ARG 103           HG3      ARG 103  -9.544 -12.813  -1.312
  931    HD2  ARG 103           HD2      ARG 103 -11.771 -12.906  -3.392
  932    HD3  ARG 103           HD3      ARG 103 -10.967 -14.362  -2.854
  933    HE   ARG 103           HE       ARG 103 -12.870 -12.713  -1.341
  934   HH11  ARG 103          HH11      ARG 103 -10.505 -15.298  -1.062
  935   HH12  ARG 103          HH12      ARG 103 -11.201 -15.877   0.433
  936   HH21  ARG 103          HH21      ARG 103 -13.683 -13.503   0.566
  937   HH22  ARG 103          HH22      ARG 103 -12.951 -14.887   1.320
  938    H    LYS 104           H        LYS 104 -10.236  -8.224  -0.987
  939    HA   LYS 104           HA       LYS 104 -10.790  -6.551  -3.271
  940    HB2  LYS 104           HB2      LYS 104 -11.913  -6.610  -0.895
  941    HB3  LYS 104           HB3      LYS 104 -10.629  -5.482  -0.435
  942    HG2  LYS 104           HG2      LYS 104 -11.372  -4.064  -2.486
  943    HG3  LYS 104           HG3      LYS 104 -12.730  -5.180  -2.624
  944    HD2  LYS 104           HD2      LYS 104 -13.707  -3.505  -1.382
  945    HD3  LYS 104           HD3      LYS 104 -13.144  -4.561  -0.075
  946    HE2  LYS 104           HE2      LYS 104 -11.017  -3.124  -0.008
  947    HE3  LYS 104           HE3      LYS 104 -11.805  -2.042  -1.172
  948    HZ1  LYS 104           HZ1      LYS 104 -13.648  -1.889   0.563
  949    HZ2  LYS 104           HZ2      LYS 104 -12.238  -1.172   0.980
  950    HZ3  LYS 104           HZ3      LYS 104 -12.609  -2.634   1.611
  951    H    ILE 105           H        ILE 105  -8.139  -6.536  -0.885
  952    HA   ILE 105           HA       ILE 105  -6.916  -4.107  -1.903
  953    HB   ILE 105           HB       ILE 105  -5.748  -6.325  -0.188
  954   HG12  ILE 105          HG12      ILE 105  -6.658  -3.501   0.553
  955   HG13  ILE 105          HG13      ILE 105  -7.689  -4.921   0.733
  956   HG21  ILE 105          HG21      ILE 105  -4.626  -3.582  -0.936
  957   HG22  ILE 105          HG22      ILE 105  -3.944  -4.637   0.311
  958   HG23  ILE 105          HG23      ILE 105  -3.921  -5.156  -1.364
  959   HD11  ILE 105          HD11      ILE 105  -6.030  -5.961   2.260
  960   HD12  ILE 105          HD12      ILE 105  -5.076  -4.451   2.204
  961   HD13  ILE 105          HD13      ILE 105  -6.725  -4.434   2.825
  962    H    TYR 106           H        TYR 106  -6.254  -7.635  -2.504
  963    HA   TYR 106           HA       TYR 106  -4.092  -7.161  -4.272
  964    HB2  TYR 106           HB2      TYR 106  -6.185  -9.367  -4.573
  965    HB3  TYR 106           HB3      TYR 106  -4.544  -9.393  -5.192
  966    HD1  TYR 106           HD2      TYR 106  -2.955  -8.529  -2.791
  967    HD2  TYR 106           HD1      TYR 106  -6.267 -11.263  -3.208
  968    HE1  TYR 106           HE2      TYR 106  -2.183  -9.784  -0.808
  969    HE2  TYR 106           HE1      TYR 106  -5.529 -12.476  -1.170
  970    HH   TYR 106           HH       TYR 106  -3.887 -12.729   0.391
  971    H    THR 107           H        THR 107  -7.634  -7.370  -5.043
  972    HA   THR 107           HA       THR 107  -7.185  -6.897  -7.833
  973    HB   THR 107           HB       THR 107  -9.183  -8.054  -6.772
  974    HG1  THR 107           HG1      THR 107 -10.336  -7.567  -8.621
  975   HG21  THR 107          HG21      THR 107  -9.994  -6.118  -5.423
  976   HG22  THR 107          HG22      THR 107 -11.204  -6.702  -6.573
  977   HG23  THR 107          HG23      THR 107 -10.296  -5.212  -6.920
  978    H    MET 108           H        MET 108  -7.887  -4.557  -5.238
  979    HA   MET 108           HA       MET 108  -7.988  -2.277  -7.031
  980    HB2  MET 108           HB2      MET 108  -7.278  -2.478  -4.077
  981    HB3  MET 108           HB3      MET 108  -7.420  -0.967  -4.993
  982    HG2  MET 108           HG2      MET 108  -9.765  -1.508  -5.543
  983    HG3  MET 108           HG3      MET 108  -9.684  -2.929  -4.519
  984    HE1  MET 108           HE1      MET 108  -9.200  -1.206  -0.917
  985    HE2  MET 108           HE2      MET 108  -9.253  -2.758  -1.787
  986    HE3  MET 108           HE3      MET 108  -7.861  -1.670  -1.978
  987    H    MET 109           H        MET 109  -5.300  -3.821  -5.208
  988    HA   MET 109           HA       MET 109  -3.407  -1.792  -5.928
  989    HB2  MET 109           HB2      MET 109  -1.959  -2.866  -4.541
  990    HB3  MET 109           HB3      MET 109  -3.466  -3.362  -3.883
  991    HG2  MET 109           HG2      MET 109  -2.355  -5.329  -3.822
  992    HG3  MET 109           HG3      MET 109  -3.085  -5.499  -5.409
  993    HE1  MET 109           HE1      MET 109  -0.019  -4.399  -3.362
  994    HE2  MET 109           HE2      MET 109   1.359  -4.531  -4.479
  995    HE3  MET 109           HE3      MET 109   0.226  -3.169  -4.613
  996    H    ALA 110           H        ALA 110  -4.453  -4.680  -7.616
  997    HA   ALA 110           HA       ALA 110  -2.306  -4.957  -9.458
  998    HB1  ALA 110           HB1      ALA 110  -4.031  -5.997 -10.890
  999    HB2  ALA 110           HB2      ALA 110  -4.180  -6.541  -9.206
 1000    HB3  ALA 110           HB3      ALA 110  -5.309  -5.329  -9.850
 1001    H    SER 111           H        SER 111  -4.888  -2.474  -9.336
 1002    HA   SER 111           HA       SER 111  -4.389  -1.397 -11.976
 1003    HB2  SER 111           HB2      SER 111  -5.747   0.430 -11.350
 1004    HB3  SER 111           HB3      SER 111  -6.470  -0.999 -10.600
 1005    HG   SER 111           HG       SER 111  -5.608  -0.369  -8.621
 1006    H    MET 112           H        MET 112  -2.509  -1.205  -9.067
 1007    HA   MET 112           HA       MET 112  -1.200   1.328  -9.746
 1008    HB2  MET 112           HB2      MET 112  -0.320  -0.732  -7.707
 1009    HB3  MET 112           HB3      MET 112   0.142   0.974  -7.836
 1010    HG2  MET 112           HG2      MET 112  -2.168   1.671  -7.394
 1011    HG3  MET 112           HG3      MET 112  -2.663  -0.016  -7.248
 1012    HE1  MET 112           HE1      MET 112  -3.573   1.830  -5.372
 1013    HE2  MET 112           HE2      MET 112  -3.766   0.135  -4.905
 1014    HE3  MET 112           HE3      MET 112  -3.145   1.309  -3.720
 1015    H    THR 113           H        THR 113  -0.910  -1.838 -10.921
 1016    HA   THR 113           HA       THR 113   1.687  -1.186 -12.180
 1017    HB   THR 113           HB       THR 113   2.719  -3.172 -11.745
 1018    HG1  THR 113           HG1      THR 113   1.651  -4.956 -10.851
 1019   HG21  THR 113          HG21      THR 113   2.633  -1.830  -9.649
 1020   HG22  THR 113          HG22      THR 113   2.721  -3.562  -9.332
 1021   HG23  THR 113          HG23      THR 113   1.175  -2.726  -9.146
 1022    H    GLY 114           H        GLY 114  -1.466  -2.421 -12.739
 1023    HA2  GLY 114           HA2      GLY 114  -1.111  -2.390 -15.601
 1024    HA3  GLY 114           HA3      GLY 114  -1.097  -4.038 -14.981
 1025    H    GLY 115           H        GLY 115  -3.004  -4.969 -15.241
 1026    HA2  GLY 115           HA2      GLY 115  -5.269  -5.425 -15.052
 1027    HA3  GLY 115           HA3      GLY 115  -5.535  -3.845 -14.322
 1028    H    GLN 116           H        GLN 116  -7.487  -4.447 -15.844
 1029    HA   GLN 116           HA       GLN 116  -7.223  -3.693 -18.658
 1030    HB2  GLN 116           HB2      GLN 116  -9.673  -4.225 -16.934
 1031    HB3  GLN 116           HB3      GLN 116  -9.686  -3.942 -18.684
 1032    HG2  GLN 116           HG2      GLN 116  -8.213  -5.927 -19.011
 1033    HG3  GLN 116           HG3      GLN 116  -8.308  -6.272 -17.283
 1034   HE21  GLN 116          HE21      GLN 116  -9.086  -8.321 -18.806
 1035   HE22  GLN 116          HE22      GLN 116 -10.841  -8.446 -18.851
 1036    H    GLN 117           H        GLN 117  -6.136  -1.713 -17.170
 1037    HA   GLN 117           HA       GLN 117  -7.970   0.393 -16.396
 1038    HB2  GLN 117           HB2      GLN 117  -5.982  -0.219 -15.167
 1039    HB3  GLN 117           HB3      GLN 117  -4.942   0.160 -16.547
 1040    HG2  GLN 117           HG2      GLN 117  -5.344   2.516 -16.319
 1041    HG3  GLN 117           HG3      GLN 117  -6.691   2.246 -15.194
 1042   HE21  GLN 117          HE21      GLN 117  -3.857   0.194 -14.662
 1043   HE22  GLN 117          HE22      GLN 117  -3.311   1.091 -13.263
 1044    H    MET 118           H        MET 118  -8.417   2.312 -17.375
 1045    HA   MET 118           HA       MET 118  -7.105   3.221 -19.830
 1046    HB2  MET 118           HB2      MET 118  -9.131   3.120 -21.210
 1047    HB3  MET 118           HB3      MET 118  -8.609   1.510 -20.730
 1048    HG2  MET 118           HG2      MET 118 -10.346   1.444 -18.976
 1049    HG3  MET 118           HG3      MET 118 -10.858   3.081 -19.409
 1050    HE1  MET 118           HE1      MET 118 -13.351   2.285 -19.592
 1051    HE2  MET 118           HE2      MET 118 -13.882   0.899 -20.569
 1052    HE3  MET 118           HE3      MET 118 -12.849   0.637 -19.146
 1053    H    GLY 119           H        GLY 119  -8.038   5.248 -20.640
 1054    HA2  GLY 119           HA2      GLY 119  -8.899   7.394 -20.443
 1055    HA3  GLY 119           HA3      GLY 119  -9.873   6.865 -19.074
  Start of MODEL    7
    1    H1   MET -11           H1       MET -11   1.268  -2.675  22.236
    2    H2   MET -11           H2       MET -11   0.988  -1.068  22.162
    3    H3   MET -11           H3       MET -11   2.356  -1.622  22.866
    4    HA   MET -11           HA       MET -11   2.847  -0.732  20.690
    5    HB2  MET -11           HB2      MET -11   3.130  -3.760  20.895
    6    HB3  MET -11           HB3      MET -11   3.905  -2.777  19.656
    7    HG2  MET -11           HG2      MET -11   4.357  -2.554  22.652
    8    HG3  MET -11           HG3      MET -11   5.453  -3.273  21.485
    9    HE1  MET -11           HE1      MET -11   5.754  -1.404  19.054
   10    HE2  MET -11           HE2      MET -11   7.010  -0.277  19.604
   11    HE3  MET -11           HE3      MET -11   7.133  -2.003  20.002
   12    HA   PRO -10           HA       PRO -10  -0.296  -1.223  17.578
   13    HB2  PRO -10           HB2      PRO -10   1.042  -0.483  15.317
   14    HB3  PRO -10           HB3      PRO -10   0.602   0.675  16.609
   15    HG2  PRO -10           HG2      PRO -10   3.259  -0.746  16.222
   16    HG3  PRO -10           HG3      PRO -10   2.970   1.008  16.468
   17    HD2  PRO -10           HD2      PRO -10   3.637  -0.617  18.529
   18    HD3  PRO -10           HD3      PRO -10   2.445   0.698  18.751
   19    H    ARG  -9           H        ARG  -9  -0.874  -2.505  15.769
   20    HA   ARG  -9           HA       ARG  -9   0.807  -4.902  15.171
   21    HB2  ARG  -9           HB2      ARG  -9  -2.084  -5.020  16.108
   22    HB3  ARG  -9           HB3      ARG  -9  -1.135  -6.380  15.493
   23    HG2  ARG  -9           HG2      ARG  -9   0.563  -5.885  17.357
   24    HG3  ARG  -9           HG3      ARG  -9  -0.673  -4.822  18.057
   25    HD2  ARG  -9           HD2      ARG  -9  -2.261  -6.756  18.073
   26    HD3  ARG  -9           HD3      ARG  -9  -0.979  -7.804  17.467
   27    HE   ARG  -9           HE       ARG  -9  -1.311  -6.752  20.183
   28   HH11  ARG  -9          HH11      ARG  -9   1.098  -8.220  18.023
   29   HH12  ARG  -9          HH12      ARG  -9   2.005  -8.823  19.382
   30   HH21  ARG  -9          HH21      ARG  -9  -0.058  -7.558  21.808
   31   HH22  ARG  -9          HH22      ARG  -9   1.387  -8.452  21.441
   32    H    PHE  -8           H        PHE  -8  -0.681  -2.392  13.702
   33    HA   PHE  -8           HA       PHE  -8  -2.018  -3.391  11.510
   34    HB2  PHE  -8           HB2      PHE  -8  -1.938  -1.114  11.569
   35    HB3  PHE  -8           HB3      PHE  -8  -0.207  -1.054  11.869
   36    HD1  PHE  -8           HD1      PHE  -8  -2.754  -1.674   9.207
   37    HD2  PHE  -8           HD2      PHE  -8   1.410  -0.986  10.099
   38    HE1  PHE  -8           HE1      PHE  -8  -2.239  -1.557   6.773
   39    HE2  PHE  -8           HE2      PHE  -8   1.919  -0.911   7.673
   40    HZ   PHE  -8           HZ       PHE  -8   0.100  -1.236   6.008
   41    H    TRP  -7           H        TRP  -7   1.521  -3.424  11.754
   42    HA   TRP  -7           HA       TRP  -7   1.940  -4.408   9.117
   43    HB2  TRP  -7           HB2      TRP  -7   3.625  -3.243  10.369
   44    HB3  TRP  -7           HB3      TRP  -7   3.678  -4.510  11.590
   45    HD1  TRP  -7           HD1      TRP  -7   5.066  -6.665  11.082
   46    HE1  TRP  -7           HE1      TRP  -7   6.711  -7.373   9.244
   47    HE3  TRP  -7           HE3      TRP  -7   4.033  -3.024   7.627
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.453  -6.503   6.596
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.194  -3.039   5.423
   50    HH2  TRP  -7           HH2      TRP  -7   6.895  -4.739   4.907
   51    H    GLU  -6           H        GLU  -6   1.029  -6.204  12.028
   52    HA   GLU  -6           HA       GLU  -6   1.810  -8.828  11.053
   53    HB2  GLU  -6           HB2      GLU  -6  -0.521  -8.144  12.900
   54    HB3  GLU  -6           HB3      GLU  -6   0.296  -9.698  12.721
   55    HG2  GLU  -6           HG2      GLU  -6   2.369  -8.695  13.674
   56    HG3  GLU  -6           HG3      GLU  -6   1.522  -7.158  13.889
   57    H    TYR  -5           H        TYR  -5  -1.151  -6.844  10.786
   58    HA   TYR  -5           HA       TYR  -5  -2.608  -8.716   9.157
   59    HB2  TYR  -5           HB2      TYR  -5  -2.988  -5.787   9.759
   60    HB3  TYR  -5           HB3      TYR  -5  -3.952  -6.619   8.554
   61    HD1  TYR  -5           HD1      TYR  -5  -5.344  -8.598   9.135
   62    HD2  TYR  -5           HD2      TYR  -5  -3.435  -6.148  12.132
   63    HE1  TYR  -5           HE1      TYR  -5  -6.857  -9.532  10.864
   64    HE2  TYR  -5           HE2      TYR  -5  -4.973  -7.063  13.861
   65    HH   TYR  -5           HH       TYR  -5  -6.696  -8.528  14.303
   66    H    TRP  -4           H        TRP  -4  -0.543  -5.978   8.306
   67    HA   TRP  -4           HA       TRP  -4  -0.982  -6.166   5.465
   68    HB2  TRP  -4           HB2      TRP  -4  -0.066  -4.216   6.850
   69    HB3  TRP  -4           HB3      TRP  -4   1.471  -5.079   6.916
   70    HD1  TRP  -4           HD1      TRP  -4   2.869  -5.241   4.648
   71    HE1  TRP  -4           HE1      TRP  -4   2.685  -4.101   2.358
   72    HE3  TRP  -4           HE3      TRP  -4  -1.842  -3.298   5.089
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.663  -2.735   0.826
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.919  -2.165   3.160
   75    HH2  TRP  -4           HH2      TRP  -4  -1.683  -1.867   1.031
   76    H    LEU  -3           H        LEU  -3   1.618  -7.561   7.559
   77    HA   LEU  -3           HA       LEU  -3   3.181  -8.732   5.577
   78    HB2  LEU  -3           HB2      LEU  -3   3.745  -8.485   7.972
   79    HB3  LEU  -3           HB3      LEU  -3   2.526  -9.690   8.392
   80    HG   LEU  -3           HG       LEU  -3   3.857 -11.410   7.113
   81   HD11  LEU  -3          HD11      LEU  -3   5.837  -9.096   6.939
   82   HD12  LEU  -3          HD12      LEU  -3   5.065  -9.929   5.571
   83   HD13  LEU  -3          HD13      LEU  -3   6.229 -10.798   6.579
   84   HD21  LEU  -3          HD21      LEU  -3   4.102 -11.148   9.549
   85   HD22  LEU  -3          HD22      LEU  -3   5.354  -9.910   9.302
   86   HD23  LEU  -3          HD23      LEU  -3   5.642 -11.591   8.796
   87    H    ARG  -2           H        ARG  -2   0.126  -9.929   6.919
   88    HA   ARG  -2           HA       ARG  -2   0.229 -12.627   6.005
   89    HB2  ARG  -2           HB2      ARG  -2  -1.372 -11.514   7.698
   90    HB3  ARG  -2           HB3      ARG  -2  -2.223 -10.838   6.312
   91    HG2  ARG  -2           HG2      ARG  -2  -3.449 -12.733   6.957
   92    HG3  ARG  -2           HG3      ARG  -2  -2.595 -13.211   5.487
   93    HD2  ARG  -2           HD2      ARG  -2  -0.859 -14.339   6.914
   94    HD3  ARG  -2           HD3      ARG  -2  -1.777 -13.857   8.351
   95    HE   ARG  -2           HE       ARG  -2  -3.139 -15.465   6.238
   96   HH11  ARG  -2          HH11      ARG  -2  -1.870 -15.530   9.515
   97   HH12  ARG  -2          HH12      ARG  -2  -2.656 -17.050   9.850
   98   HH21  ARG  -2          HH21      ARG  -2  -4.003 -17.329   6.680
   99   HH22  ARG  -2          HH22      ARG  -2  -3.869 -18.056   8.270
  100    H    LEU  -1           H        LEU  -1  -0.802  -9.658   4.389
  101    HA   LEU  -1           HA       LEU  -1  -1.829 -10.809   1.951
  102    HB2  LEU  -1           HB2      LEU  -1  -0.500  -8.129   2.504
  103    HB3  LEU  -1           HB3      LEU  -1  -1.368  -8.508   1.045
  104    HG   LEU  -1           HG       LEU  -1  -2.666  -8.454   3.804
  105   HD11  LEU  -1          HD11      LEU  -1  -1.780  -6.250   3.160
  106   HD12  LEU  -1          HD12      LEU  -1  -3.549  -6.276   3.061
  107   HD13  LEU  -1          HD13      LEU  -1  -2.569  -6.379   1.578
  108   HD21  LEU  -1          HD21      LEU  -1  -3.907  -9.818   2.166
  109   HD22  LEU  -1          HD22      LEU  -1  -3.826  -8.503   0.972
  110   HD23  LEU  -1          HD23      LEU  -1  -4.761  -8.308   2.473
  111    H    MET   0           H        MET   0   1.425  -9.598   2.889
  112    HA   MET   0           HA       MET   0   2.524  -9.938   0.258
  113    HB2  MET   0           HB2      MET   0   4.257  -9.794   2.729
  114    HB3  MET   0           HB3      MET   0   4.498  -9.090   1.125
  115    HG2  MET   0           HG2      MET   0   2.333  -7.684   1.794
  116    HG3  MET   0           HG3      MET   0   2.817  -8.133   3.427
  117    HE1  MET   0           HE1      MET   0   6.501  -6.460   3.367
  118    HE2  MET   0           HE2      MET   0   5.454  -7.591   4.278
  119    HE3  MET   0           HE3      MET   0   6.162  -8.068   2.701
  120    H    GLU   1           H        GLU   1   2.578 -11.929   3.203
  121    HA   GLU   1           HA       GLU   1   4.233 -14.058   2.106
  122    HB2  GLU   1           HB2      GLU   1   2.343 -13.900   4.485
  123    HB3  GLU   1           HB3      GLU   1   3.333 -15.306   4.133
  124    HG2  GLU   1           HG2      GLU   1   4.434 -12.516   4.698
  125    HG3  GLU   1           HG3      GLU   1   4.278 -13.807   5.881
  126    H    GLY   2           H        GLY   2   1.012 -13.171   1.401
  127    HA2  GLY   2           HA2      GLY   2  -0.524 -14.179   0.011
  128    HA3  GLY   2           HA3      GLY   2   0.586 -15.536  -0.205
  129    H    GLY   3           H        GLY   3  -0.487 -14.602   3.001
  130    HA2  GLY   3           HA2      GLY   3  -1.192 -17.292   3.662
  131    HA3  GLY   3           HA3      GLY   3  -1.278 -15.888   4.711
  132    H    GLY   4           H        GLY   4  -3.179 -16.170   1.714
  133    HA2  GLY   4           HA2      GLY   4  -5.666 -16.740   3.275
  134    HA3  GLY   4           HA3      GLY   4  -5.604 -15.332   2.218
  135    H    GLU   5           H        GLU   5  -6.809 -18.306   2.366
  136    HA   GLU   5           HA       GLU   5  -6.149 -19.490  -0.173
  137    HB2  GLU   5           HB2      GLU   5  -8.544 -19.993   1.652
  138    HB3  GLU   5           HB3      GLU   5  -7.992 -21.006   0.329
  139    HG2  GLU   5           HG2      GLU   5  -7.107 -22.135   2.090
  140    HG3  GLU   5           HG3      GLU   5  -5.729 -21.171   1.577
  141    H    ASN   6           H        ASN   6  -8.104 -16.806   0.452
  142    HA   ASN   6           HA       ASN   6 -10.115 -17.166  -1.619
  143    HB2  ASN   6           HB2      ASN   6  -9.198 -14.727  -0.048
  144    HB3  ASN   6           HB3      ASN   6 -10.569 -14.744  -1.155
  145   HD21  ASN   6          HD21      ASN   6 -10.529 -14.223   1.776
  146   HD22  ASN   6          HD22      ASN   6 -11.663 -15.399   2.423
  147    H    LEU   7           H        LEU   7  -8.495 -17.924  -3.156
  148    HA   LEU   7           HA       LEU   7  -7.664 -15.760  -5.016
  149    HB2  LEU   7           HB2      LEU   7  -5.845 -16.720  -3.261
  150    HB3  LEU   7           HB3      LEU   7  -5.778 -18.032  -4.418
  151    HG   LEU   7           HG       LEU   7  -5.544 -15.872  -6.139
  152   HD11  LEU   7          HD11      LEU   7  -4.215 -15.018  -3.536
  153   HD12  LEU   7          HD12      LEU   7  -5.643 -14.259  -4.268
  154   HD13  LEU   7          HD13      LEU   7  -4.086 -14.206  -5.112
  155   HD21  LEU   7          HD21      LEU   7  -3.385 -17.282  -4.531
  156   HD22  LEU   7          HD22      LEU   7  -3.079 -16.258  -5.957
  157   HD23  LEU   7          HD23      LEU   7  -4.026 -17.745  -6.117
  158    H    TYR   8           H        TYR   8  -9.535 -18.375  -4.801
  159    HA   TYR   8           HA       TYR   8  -8.598 -20.135  -6.832
  160    HB2  TYR   8           HB2      TYR   8 -10.991 -21.068  -6.647
  161    HB3  TYR   8           HB3      TYR   8  -9.874 -21.188  -5.302
  162    HD1  TYR   8           HD2      TYR   8 -12.831 -19.309  -6.575
  163    HD2  TYR   8           HD1      TYR   8 -10.292 -20.132  -3.179
  164    HE1  TYR   8           HE2      TYR   8 -14.433 -18.120  -5.087
  165    HE2  TYR   8           HE1      TYR   8 -11.894 -18.924  -1.697
  166    HH   TYR   8           HH       TYR   8 -14.921 -17.466  -2.948
  167    H    PHE   9           H        PHE   9 -10.501 -17.313  -7.136
  168    HA   PHE   9           HA       PHE   9 -11.470 -17.725  -9.799
  169    HB2  PHE   9           HB2      PHE   9 -11.691 -15.099  -9.606
  170    HB3  PHE   9           HB3      PHE   9 -12.779 -16.227  -8.811
  171    HD1  PHE   9           HD2      PHE   9  -9.650 -14.220  -8.182
  172    HD2  PHE   9           HD1      PHE   9 -13.057 -16.240  -6.468
  173    HE1  PHE   9           HE2      PHE   9  -8.975 -13.459  -5.913
  174    HE2  PHE   9           HE1      PHE   9 -12.369 -15.486  -4.208
  175    HZ   PHE   9           HZ       PHE   9 -10.323 -14.101  -3.933
  176    H    GLN  10           H        GLN  10 -10.984 -16.605 -11.729
  177    HA   GLN  10           HA       GLN  10  -8.197 -15.675 -12.088
  178    HB2  GLN  10           HB2      GLN  10  -8.115 -18.103 -12.375
  179    HB3  GLN  10           HB3      GLN  10  -9.420 -18.040 -13.567
  180    HG2  GLN  10           HG2      GLN  10  -7.995 -16.794 -15.130
  181    HG3  GLN  10           HG3      GLN  10  -6.724 -16.661 -13.908
  182   HE21  GLN  10          HE21      GLN  10  -5.587 -17.631 -15.970
  183   HE22  GLN  10          HE22      GLN  10  -5.515 -19.389 -15.993
  184    H    GLY  11           H        GLY  11  -7.906 -14.265 -13.777
  185    HA2  GLY  11           HA2      GLY  11  -9.519 -13.748 -16.008
  186    HA3  GLY  11           HA3      GLY  11 -10.196 -12.784 -14.691
  187    H    MET  12           H        MET  12  -9.639 -10.860 -15.757
  188    HA   MET  12           HA       MET  12  -6.927 -10.163 -16.484
  189    HB2  MET  12           HB2      MET  12  -7.850  -8.014 -17.063
  190    HB3  MET  12           HB3      MET  12  -8.911  -9.291 -17.646
  191    HG2  MET  12           HG2      MET  12 -10.415  -8.931 -15.697
  192    HG3  MET  12           HG3      MET  12  -9.371  -7.632 -15.127
  193    HE1  MET  12           HE1      MET  12  -9.182  -5.273 -16.165
  194    HE2  MET  12           HE2      MET  12  -8.619  -5.929 -17.720
  195    HE3  MET  12           HE3      MET  12  -9.956  -4.764 -17.682
  196    H    SER  13           H        SER  13  -7.746 -10.708 -13.451
  197    HA   SER  13           HA       SER  13  -6.031  -8.617 -12.272
  198    HB2  SER  13           HB2      SER  13  -8.487  -7.808 -12.294
  199    HB3  SER  13           HB3      SER  13  -8.788  -9.124 -11.126
  200    HG   SER  13           HG       SER  13  -8.288  -7.254 -10.009
  201    H    VAL  14           H        VAL  14  -5.808  -8.997  -9.914
  202    HA   VAL  14           HA       VAL  14  -4.985 -10.133  -8.207
  203    HB   VAL  14           HB       VAL  14  -6.880 -12.354  -8.900
  204   HG11  VAL  14          HG11      VAL  14  -5.569 -11.709  -6.233
  205   HG12  VAL  14          HG12      VAL  14  -6.770 -12.970  -6.540
  206   HG13  VAL  14          HG13      VAL  14  -5.174 -13.099  -7.269
  207   HG21  VAL  14          HG21      VAL  14  -8.370 -11.305  -7.222
  208   HG22  VAL  14          HG22      VAL  14  -7.236  -9.947  -7.072
  209   HG23  VAL  14          HG23      VAL  14  -8.093 -10.240  -8.600
  210    HA   PRO  15           HA       PRO  15  -1.673 -12.566 -10.066
  211    HB2  PRO  15           HB2      PRO  15   0.139 -12.472  -8.057
  212    HB3  PRO  15           HB3      PRO  15  -0.297 -11.010  -8.993
  213    HG2  PRO  15           HG2      PRO  15  -1.324 -11.852  -6.267
  214    HG3  PRO  15           HG3      PRO  15  -0.768 -10.236  -6.797
  215    HD2  PRO  15           HD2      PRO  15  -3.439 -11.073  -6.752
  216    HD3  PRO  15           HD3      PRO  15  -2.804  -9.777  -7.826
  217    H    THR  16           H        THR  16  -1.401 -14.779 -10.150
  218    HA   THR  16           HA       THR  16  -2.663 -16.407  -8.179
  219    HB   THR  16           HB       THR  16  -1.157 -17.819 -10.284
  220    HG1  THR  16           HG1      THR  16  -2.796 -17.384 -11.733
  221   HG21  THR  16          HG21      THR  16  -3.171 -19.215 -10.181
  222   HG22  THR  16          HG22      THR  16  -3.977 -18.018  -9.130
  223   HG23  THR  16          HG23      THR  16  -2.580 -18.923  -8.528
  224    H    ASP  17           H        ASP  17  -0.929 -15.216  -6.777
  225    HA   ASP  17           HA       ASP  17   1.307 -17.095  -6.136
  226    HB2  ASP  17           HB2      ASP  17   1.184 -14.080  -6.050
  227    HB3  ASP  17           HB3      ASP  17   2.446 -14.999  -5.242
  228    H    GLY  18           H        GLY  18  -1.516 -15.952  -4.726
  229    HA2  GLY  18           HA2      GLY  18  -0.659 -16.076  -1.921
  230    HA3  GLY  18           HA3      GLY  18  -2.288 -15.847  -2.529
  231    H    ALA  19           H        ALA  19  -3.095 -17.319  -0.994
  232    HA   ALA  19           HA       ALA  19  -3.710 -19.246  -0.055
  233    HB1  ALA  19           HB1      ALA  19  -4.418 -21.015  -1.564
  234    HB2  ALA  19           HB2      ALA  19  -4.779 -19.427  -2.270
  235    HB3  ALA  19           HB3      ALA  19  -3.390 -20.369  -2.861
  236    H    VAL  20           H        VAL  20  -1.067 -18.714   0.499
  237    HA   VAL  20           HA       VAL  20   0.033 -21.413   0.966
  238    HB   VAL  20           HB       VAL  20   0.947 -20.598  -1.199
  239   HG11  VAL  20          HG11      VAL  20   2.673 -18.891  -1.258
  240   HG12  VAL  20          HG12      VAL  20   1.174 -18.177  -0.649
  241   HG13  VAL  20          HG13      VAL  20   2.491 -18.570   0.476
  242   HG21  VAL  20          HG21      VAL  20   2.131 -22.272   0.203
  243   HG22  VAL  20          HG22      VAL  20   3.217 -21.284  -0.782
  244   HG23  VAL  20          HG23      VAL  20   3.070 -20.953   0.949
  245    H    THR  21           H        THR  21   1.289 -21.685   2.753
  246    HA   THR  21           HA       THR  21   1.637 -19.343   4.547
  247    HB   THR  21           HB       THR  21   0.692 -20.303   6.379
  248    HG1  THR  21           HG1      THR  21   0.170 -22.476   6.527
  249   HG21  THR  21          HG21      THR  21  -1.093 -21.430   4.175
  250   HG22  THR  21          HG22      THR  21  -1.076 -19.727   4.697
  251   HG23  THR  21          HG23      THR  21  -1.559 -20.996   5.831
  252    H    THR  22           H        THR  22   3.407 -21.740   3.110
  253    HA   THR  22           HA       THR  22   5.091 -22.616   5.119
  254    HB   THR  22           HB       THR  22   6.245 -22.239   2.396
  255    HG1  THR  22           HG1      THR  22   5.038 -23.979   1.669
  256   HG21  THR  22          HG21      THR  22   7.529 -23.506   4.097
  257   HG22  THR  22          HG22      THR  22   7.011 -24.552   2.772
  258   HG23  THR  22          HG23      THR  22   6.148 -24.603   4.324
  259    H    SER  23           H        SER  23   6.870 -22.016   6.205
  260    HA   SER  23           HA       SER  23   7.620 -19.255   6.295
  261    HB2  SER  23           HB2      SER  23   8.999 -21.706   7.461
  262    HB3  SER  23           HB3      SER  23   9.318 -20.020   7.913
  263    HG   SER  23           HG       SER  23   7.839 -21.022   9.349
  264    H    GLN  24           H        GLN  24   8.973 -21.919   4.459
  265    HA   GLN  24           HA       GLN  24  11.556 -20.669   3.940
  266    HB2  GLN  24           HB2      GLN  24  10.155 -23.060   2.678
  267    HB3  GLN  24           HB3      GLN  24  11.806 -22.569   2.316
  268    HG2  GLN  24           HG2      GLN  24  10.793 -23.462   5.052
  269    HG3  GLN  24           HG3      GLN  24  11.708 -24.447   3.923
  270   HE21  GLN  24          HE21      GLN  24  12.617 -24.045   6.562
  271   HE22  GLN  24          HE22      GLN  24  14.081 -23.075   6.478
  272    H    ILE  25           H        ILE  25  12.359 -20.043   1.898
  273    HA   ILE  25           HA       ILE  25  10.456 -19.265  -0.211
  274    HB   ILE  25           HB       ILE  25  11.942 -17.015  -0.281
  275   HG12  ILE  25          HG12      ILE  25  12.035 -15.946   1.927
  276   HG13  ILE  25          HG13      ILE  25  11.640 -17.461   2.729
  277   HG21  ILE  25          HG21      ILE  25   9.486 -17.202  -0.350
  278   HG22  ILE  25          HG22      ILE  25   9.447 -17.388   1.417
  279   HG23  ILE  25          HG23      ILE  25  10.014 -15.870   0.687
  280   HD11  ILE  25          HD11      ILE  25  14.069 -16.882   2.794
  281   HD12  ILE  25          HD12      ILE  25  13.789 -18.429   1.985
  282   HD13  ILE  25          HD13      ILE  25  14.130 -16.971   1.022
  283    HA   PRO  26           HA       PRO  26  13.586 -20.797  -2.805
  284    HB2  PRO  26           HB2      PRO  26  13.221 -19.511  -5.190
  285    HB3  PRO  26           HB3      PRO  26  12.050 -20.684  -4.513
  286    HG2  PRO  26           HG2      PRO  26  11.962 -17.654  -4.329
  287    HG3  PRO  26           HG3      PRO  26  10.644 -18.772  -4.800
  288    HD2  PRO  26           HD2      PRO  26  10.865 -17.802  -2.271
  289    HD3  PRO  26           HD3      PRO  26  10.314 -19.476  -2.574
  290    H    ALA  27           H        ALA  27  15.730 -20.519  -2.760
  291    HA   ALA  27           HA       ALA  27  17.038 -18.013  -2.287
  292    HB1  ALA  27           HB1      ALA  27  18.144 -20.694  -3.241
  293    HB2  ALA  27           HB2      ALA  27  19.089 -19.359  -2.546
  294    HB3  ALA  27           HB3      ALA  27  17.895 -20.208  -1.545
  295    H    SER  28           H        SER  28  16.099 -19.577  -5.270
  296    HA   SER  28           HA       SER  28  17.918 -18.264  -7.059
  297    HB2  SER  28           HB2      SER  28  15.224 -19.592  -7.515
  298    HB3  SER  28           HB3      SER  28  16.308 -19.043  -8.807
  299    HG   SER  28           HG       SER  28  16.622 -21.259  -8.310
  300    H    GLU  29           H        GLU  29  15.223 -16.955  -5.413
  301    HA   GLU  29           HA       GLU  29  13.973 -15.088  -5.607
  302    HB2  GLU  29           HB2      GLU  29  15.252 -13.048  -5.688
  303    HB3  GLU  29           HB3      GLU  29  15.999 -14.284  -4.683
  304    HG2  GLU  29           HG2      GLU  29  17.683 -14.749  -6.389
  305    HG3  GLU  29           HG3      GLU  29  16.908 -13.627  -7.515
  306    H    GLN  30           H        GLN  30  13.532 -16.562  -7.899
  307    HA   GLN  30           HA       GLN  30  13.834 -15.047 -10.297
  308    HB2  GLN  30           HB2      GLN  30  12.765 -16.874 -11.368
  309    HB3  GLN  30           HB3      GLN  30  13.853 -17.521 -10.161
  310    HG2  GLN  30           HG2      GLN  30  10.836 -17.227  -9.705
  311    HG3  GLN  30           HG3      GLN  30  11.562 -18.628 -10.463
  312   HE21  GLN  30          HE21      GLN  30  10.138 -19.339  -8.395
  313   HE22  GLN  30          HE22      GLN  30  11.154 -19.671  -6.999
  314    H    GLU  31           H        GLU  31  11.517 -14.499  -7.914
  315    HA   GLU  31           HA       GLU  31   9.105 -14.236  -9.256
  316    HB2  GLU  31           HB2      GLU  31   8.487 -12.585  -7.498
  317    HB3  GLU  31           HB3      GLU  31   9.029 -14.145  -6.930
  318    HG2  GLU  31           HG2      GLU  31  10.931 -11.776  -7.071
  319    HG3  GLU  31           HG3      GLU  31   9.807 -11.973  -5.730
  320    H    THR  32           H        THR  32   8.033 -12.889 -10.494
  321    HA   THR  32           HA       THR  32   9.526 -11.212 -12.153
  322    HB   THR  32           HB       THR  32   6.563 -11.172 -12.394
  323    HG1  THR  32           HG1      THR  32   6.588 -13.236 -13.245
  324   HG21  THR  32          HG21      THR  32   7.106 -11.586 -14.777
  325   HG22  THR  32          HG22      THR  32   8.836 -11.646 -14.374
  326   HG23  THR  32          HG23      THR  32   7.914 -10.138 -14.175
  327    H    LEU  33           H        LEU  33   9.511  -9.108 -12.793
  328    HA   LEU  33           HA       LEU  33   8.680  -7.066 -10.875
  329    HB2  LEU  33           HB2      LEU  33   9.758  -6.819 -13.708
  330    HB3  LEU  33           HB3      LEU  33   9.558  -5.488 -12.573
  331    HG   LEU  33           HG       LEU  33  11.445  -7.853 -12.135
  332   HD11  LEU  33          HD11      LEU  33  13.232  -6.247 -12.672
  333   HD12  LEU  33          HD12      LEU  33  12.016  -5.011 -13.065
  334   HD13  LEU  33          HD13      LEU  33  12.143  -6.486 -14.047
  335   HD21  LEU  33          HD21      LEU  33  12.435  -6.419 -10.384
  336   HD22  LEU  33          HD22      LEU  33  10.748  -6.786 -10.016
  337   HD23  LEU  33          HD23      LEU  33  11.188  -5.190 -10.669
  338    H    VAL  34           H        VAL  34   7.113  -5.501 -11.163
  339    HA   VAL  34           HA       VAL  34   4.803  -6.342 -12.833
  340    HB   VAL  34           HB       VAL  34   3.361  -5.430 -11.308
  341   HG11  VAL  34          HG11      VAL  34   3.956  -6.365  -9.153
  342   HG12  VAL  34          HG12      VAL  34   4.550  -7.442 -10.445
  343   HG13  VAL  34          HG13      VAL  34   5.670  -6.360  -9.583
  344   HG21  VAL  34          HG21      VAL  34   3.993  -4.009  -9.366
  345   HG22  VAL  34          HG22      VAL  34   5.640  -3.901  -9.991
  346   HG23  VAL  34          HG23      VAL  34   4.282  -3.203 -10.905
  347    H    ARG  35           H        ARG  35   7.012  -3.822 -12.690
  348    HA   ARG  35           HA       ARG  35   7.212  -1.713 -13.460
  349    HB2  ARG  35           HB2      ARG  35   5.474  -2.719 -15.740
  350    HB3  ARG  35           HB3      ARG  35   6.438  -1.238 -15.762
  351    HG2  ARG  35           HG2      ARG  35   8.507  -2.584 -15.418
  352    HG3  ARG  35           HG3      ARG  35   7.551  -4.070 -15.481
  353    HD2  ARG  35           HD2      ARG  35   7.799  -2.018 -17.724
  354    HD3  ARG  35           HD3      ARG  35   8.687  -3.531 -17.620
  355    HE   ARG  35           HE       ARG  35   6.678  -4.795 -17.942
  356   HH11  ARG  35          HH11      ARG  35   6.182  -1.382 -18.594
  357   HH12  ARG  35          HH12      ARG  35   4.783  -1.693 -19.585
  358   HH21  ARG  35          HH21      ARG  35   4.874  -5.103 -19.177
  359   HH22  ARG  35          HH22      ARG  35   4.072  -3.742 -19.904
  360    HA   PRO  36           HA       PRO  36   3.181  -0.455 -11.630
  361    HB2  PRO  36           HB2      PRO  36   4.157   0.956  -9.461
  362    HB3  PRO  36           HB3      PRO  36   3.828  -0.803  -9.492
  363    HG2  PRO  36           HG2      PRO  36   6.454   0.627  -9.651
  364    HG3  PRO  36           HG3      PRO  36   6.047  -0.976  -8.950
  365    HD2  PRO  36           HD2      PRO  36   7.221  -0.506 -11.468
  366    HD3  PRO  36           HD3      PRO  36   6.454  -2.025 -10.942
  367    H    LYS  37           H        LYS  37   2.162   1.628 -11.228
  368    HA   LYS  37           HA       LYS  37   2.722   3.632 -13.168
  369    HB2  LYS  37           HB2      LYS  37   1.068   3.770 -10.607
  370    HB3  LYS  37           HB3      LYS  37   1.081   5.038 -11.838
  371    HG2  LYS  37           HG2      LYS  37   0.330   3.336 -13.538
  372    HG3  LYS  37           HG3      LYS  37   0.138   2.176 -12.234
  373    HD2  LYS  37           HD2      LYS  37  -1.431   4.728 -12.713
  374    HD3  LYS  37           HD3      LYS  37  -2.000   3.062 -12.729
  375    HE2  LYS  37           HE2      LYS  37  -1.182   3.141 -10.156
  376    HE3  LYS  37           HE3      LYS  37  -1.396   4.875 -10.388
  377    HZ1  LYS  37           HZ1      LYS  37  -3.458   2.779 -10.825
  378    HZ2  LYS  37           HZ2      LYS  37  -3.707   4.329 -11.187
  379    HZ3  LYS  37           HZ3      LYS  37  -3.471   3.899  -9.615
  380    HA   PRO  38           HA       PRO  38   5.825   6.253 -11.295
  381    HB2  PRO  38           HB2      PRO  38   5.104   8.757 -12.189
  382    HB3  PRO  38           HB3      PRO  38   5.899   7.515 -13.201
  383    HG2  PRO  38           HG2      PRO  38   2.936   8.141 -13.011
  384    HG3  PRO  38           HG3      PRO  38   3.936   7.941 -14.487
  385    HD2  PRO  38           HD2      PRO  38   2.433   5.906 -13.543
  386    HD3  PRO  38           HD3      PRO  38   4.070   5.591 -14.188
  387    H    LEU  39           H        LEU  39   2.386   7.106 -10.899
  388    HA   LEU  39           HA       LEU  39   2.582   8.746  -8.593
  389    HB2  LEU  39           HB2      LEU  39   0.592   8.539 -10.036
  390    HB3  LEU  39           HB3      LEU  39   0.406   6.849  -9.566
  391    HG   LEU  39           HG       LEU  39  -0.033   7.573  -7.211
  392   HD11  LEU  39          HD11      LEU  39  -0.634   9.954  -6.813
  393   HD12  LEU  39          HD12      LEU  39  -0.032  10.367  -8.433
  394   HD13  LEU  39          HD13      LEU  39   1.083   9.758  -7.186
  395   HD21  LEU  39          HD21      LEU  39  -2.298   8.392  -7.632
  396   HD22  LEU  39          HD22      LEU  39  -1.876   7.125  -8.792
  397   HD23  LEU  39          HD23      LEU  39  -1.854   8.827  -9.299
  398    H    LEU  40           H        LEU  40   2.403   5.177  -8.873
  399    HA   LEU  40           HA       LEU  40   2.415   4.697  -6.007
  400    HB2  LEU  40           HB2      LEU  40   1.467   3.060  -7.583
  401    HB3  LEU  40           HB3      LEU  40   3.007   2.924  -8.412
  402    HG   LEU  40           HG       LEU  40   4.053   1.915  -6.443
  403   HD11  LEU  40          HD11      LEU  40   2.820   2.942  -4.607
  404   HD12  LEU  40          HD12      LEU  40   2.606   1.190  -4.520
  405   HD13  LEU  40          HD13      LEU  40   1.300   2.207  -5.167
  406   HD21  LEU  40          HD21      LEU  40   2.264   0.700  -8.158
  407   HD22  LEU  40          HD22      LEU  40   1.634   0.216  -6.578
  408   HD23  LEU  40          HD23      LEU  40   3.322  -0.122  -7.015
  409    H    LEU  41           H        LEU  41   4.903   4.539  -8.585
  410    HA   LEU  41           HA       LEU  41   7.111   3.824  -7.012
  411    HB2  LEU  41           HB2      LEU  41   7.136   3.834  -9.421
  412    HB3  LEU  41           HB3      LEU  41   6.852   5.569  -9.473
  413    HG   LEU  41           HG       LEU  41   9.055   6.046  -8.579
  414   HD11  LEU  41          HD11      LEU  41  10.760   4.225  -8.431
  415   HD12  LEU  41          HD12      LEU  41   9.463   3.019  -8.573
  416   HD13  LEU  41          HD13      LEU  41   9.542   4.106  -7.165
  417   HD21  LEU  41          HD21      LEU  41   9.152   4.073 -10.894
  418   HD22  LEU  41          HD22      LEU  41  10.368   5.315 -10.516
  419   HD23  LEU  41          HD23      LEU  41   8.740   5.798 -11.013
  420    H    LYS  42           H        LYS  42   5.814   7.135  -7.517
  421    HA   LYS  42           HA       LYS  42   7.703   8.571  -5.948
  422    HB2  LYS  42           HB2      LYS  42   6.015   9.591  -7.416
  423    HB3  LYS  42           HB3      LYS  42   4.715   9.021  -6.365
  424    HG2  LYS  42           HG2      LYS  42   5.500  10.478  -4.535
  425    HG3  LYS  42           HG3      LYS  42   6.906  10.953  -5.500
  426    HD2  LYS  42           HD2      LYS  42   5.283  12.723  -5.586
  427    HD3  LYS  42           HD3      LYS  42   5.378  11.974  -7.188
  428    HE2  LYS  42           HE2      LYS  42   3.313  10.678  -6.706
  429    HE3  LYS  42           HE3      LYS  42   3.243  11.379  -5.083
  430    HZ1  LYS  42           HZ1      LYS  42   2.973  13.574  -6.117
  431    HZ2  LYS  42           HZ2      LYS  42   1.788  12.577  -6.627
  432    HZ3  LYS  42           HZ3      LYS  42   3.039  12.929  -7.616
  433    H    LEU  43           H        LEU  43   4.807   6.778  -4.840
  434    HA   LEU  43           HA       LEU  43   5.064   7.525  -2.056
  435    HB2  LEU  43           HB2      LEU  43   2.979   6.785  -3.059
  436    HB3  LEU  43           HB3      LEU  43   3.621   5.189  -3.383
  437    HG   LEU  43           HG       LEU  43   3.505   6.247  -0.545
  438   HD11  LEU  43          HD11      LEU  43   1.250   6.494  -1.488
  439   HD12  LEU  43          HD12      LEU  43   1.298   5.160  -0.336
  440   HD13  LEU  43          HD13      LEU  43   1.291   4.817  -2.079
  441   HD21  LEU  43          HD21      LEU  43   4.736   4.122  -0.777
  442   HD22  LEU  43          HD22      LEU  43   3.426   3.439  -1.762
  443   HD23  LEU  43          HD23      LEU  43   3.181   3.808  -0.042
  444    H    LEU  44           H        LEU  44   6.262   4.687  -3.933
  445    HA   LEU  44           HA       LEU  44   7.553   3.411  -1.704
  446    HB2  LEU  44           HB2      LEU  44   8.632   3.273  -4.526
  447    HB3  LEU  44           HB3      LEU  44   8.715   2.059  -3.258
  448    HG   LEU  44           HG       LEU  44   6.271   2.853  -4.866
  449   HD11  LEU  44          HD11      LEU  44   7.903   1.534  -6.111
  450   HD12  LEU  44          HD12      LEU  44   6.419   0.615  -5.808
  451   HD13  LEU  44          HD13      LEU  44   7.879   0.289  -4.844
  452   HD21  LEU  44          HD21      LEU  44   5.693   2.134  -2.495
  453   HD22  LEU  44          HD22      LEU  44   6.431   0.569  -2.897
  454   HD23  LEU  44          HD23      LEU  44   5.017   1.133  -3.788
  455    H    LYS  45           H        LYS  45   8.767   5.819  -4.047
  456    HA   LYS  45           HA       LYS  45  11.405   5.965  -2.856
  457    HB2  LYS  45           HB2      LYS  45   9.997   7.664  -4.941
  458    HB3  LYS  45           HB3      LYS  45  11.683   7.904  -4.421
  459    HG2  LYS  45           HG2      LYS  45  12.181   5.528  -4.951
  460    HG3  LYS  45           HG3      LYS  45  10.547   5.273  -5.491
  461    HD2  LYS  45           HD2      LYS  45  12.011   5.490  -7.366
  462    HD3  LYS  45           HD3      LYS  45  10.864   6.844  -7.336
  463    HE2  LYS  45           HE2      LYS  45  13.023   7.544  -8.030
  464    HE3  LYS  45           HE3      LYS  45  12.643   8.283  -6.458
  465    HZ1  LYS  45           HZ1      LYS  45  14.452   5.952  -6.935
  466    HZ2  LYS  45           HZ2      LYS  45  14.056   6.473  -5.445
  467    HZ3  LYS  45           HZ3      LYS  45  14.923   7.436  -6.448
  468    H    SER  46           H        SER  46   8.457   7.607  -2.062
  469    HA   SER  46           HA       SER  46   9.607   9.642  -0.375
  470    HB2  SER  46           HB2      SER  46   6.947   8.181  -0.126
  471    HB3  SER  46           HB3      SER  46   7.425   9.611   0.795
  472    HG   SER  46           HG       SER  46   7.209   9.418  -2.040
  473    H    VAL  47           H        VAL  47   9.318   6.173   0.049
  474    HA   VAL  47           HA       VAL  47  10.578   6.423   2.739
  475    HB   VAL  47           HB       VAL  47   9.882   4.234   3.320
  476   HG11  VAL  47          HG11      VAL  47   7.489   5.762   2.245
  477   HG12  VAL  47          HG12      VAL  47   7.541   4.604   3.596
  478   HG13  VAL  47          HG13      VAL  47   8.365   6.164   3.738
  479   HG21  VAL  47          HG21      VAL  47   8.418   2.837   2.017
  480   HG22  VAL  47          HG22      VAL  47   8.305   4.043   0.724
  481   HG23  VAL  47          HG23      VAL  47   9.836   3.200   1.019
  482    H    GLY  48           H        GLY  48  11.837   6.599  -0.024
  483    HA2  GLY  48           HA2      GLY  48  14.079   6.458  -0.457
  484    HA3  GLY  48           HA3      GLY  48  14.299   5.414   0.942
  485    H    ALA  49           H        ALA  49  12.042   4.384  -1.616
  486    HA   ALA  49           HA       ALA  49  13.479   2.016  -2.262
  487    HB1  ALA  49           HB1      ALA  49  11.056   2.404  -2.511
  488    HB2  ALA  49           HB2      ALA  49  11.372   3.553  -3.832
  489    HB3  ALA  49           HB3      ALA  49  11.771   1.837  -4.006
  490    H    GLN  50           H        GLN  50  15.024   1.519  -3.730
  491    HA   GLN  50           HA       GLN  50  16.614   3.758  -4.737
  492    HB2  GLN  50           HB2      GLN  50  17.659   1.962  -3.474
  493    HB3  GLN  50           HB3      GLN  50  17.076   0.761  -4.622
  494    HG2  GLN  50           HG2      GLN  50  19.422   1.139  -5.004
  495    HG3  GLN  50           HG3      GLN  50  18.522   1.707  -6.397
  496   HE21  GLN  50          HE21      GLN  50  20.657   2.864  -6.801
  497   HE22  GLN  50          HE22      GLN  50  20.881   4.419  -6.009
  498    H    LYS  51           H        LYS  51  15.130   0.892  -6.211
  499    HA   LYS  51           HA       LYS  51  15.849   1.652  -8.975
  500    HB2  LYS  51           HB2      LYS  51  14.267  -0.711  -7.866
  501    HB3  LYS  51           HB3      LYS  51  14.761  -0.505  -9.547
  502    HG2  LYS  51           HG2      LYS  51  17.151  -0.526  -8.852
  503    HG3  LYS  51           HG3      LYS  51  16.652  -0.815  -7.174
  504    HD2  LYS  51           HD2      LYS  51  15.527  -2.916  -7.861
  505    HD3  LYS  51           HD3      LYS  51  16.032  -2.635  -9.542
  506    HE2  LYS  51           HE2      LYS  51  18.415  -2.664  -8.825
  507    HE3  LYS  51           HE3      LYS  51  17.910  -2.955  -7.155
  508    HZ1  LYS  51           HZ1      LYS  51  17.390  -4.790  -9.437
  509    HZ2  LYS  51           HZ2      LYS  51  16.922  -5.061  -7.893
  510    HZ3  LYS  51           HZ3      LYS  51  18.508  -5.026  -8.273
  511    H    ASP  52           H        ASP  52  14.144   1.401 -10.667
  512    HA   ASP  52           HA       ASP  52  11.652   2.813  -9.953
  513    HB2  ASP  52           HB2      ASP  52  11.478   3.318 -12.401
  514    HB3  ASP  52           HB3      ASP  52  12.717   4.123 -11.459
  515    H    THR  53           H        THR  53  12.474  -0.341 -10.393
  516    HA   THR  53           HA       THR  53   9.667  -1.107 -11.134
  517    HB   THR  53           HB       THR  53  10.852  -3.182 -12.183
  518    HG1  THR  53           HG1      THR  53  12.847  -2.647 -13.174
  519   HG21  THR  53          HG21      THR  53  10.967  -0.528 -13.654
  520   HG22  THR  53          HG22      THR  53   9.538  -1.572 -13.467
  521   HG23  THR  53          HG23      THR  53  10.936  -2.154 -14.385
  522    H    TYR  54           H        TYR  54   8.920  -2.899 -10.109
  523    HA   TYR  54           HA       TYR  54  10.502  -4.274  -8.042
  524    HB2  TYR  54           HB2      TYR  54   8.130  -2.464  -7.504
  525    HB3  TYR  54           HB3      TYR  54   8.706  -3.652  -6.347
  526    HD1  TYR  54           HD1      TYR  54  11.263  -3.582  -5.729
  527    HD2  TYR  54           HD2      TYR  54   9.078  -0.312  -7.514
  528    HE1  TYR  54           HE1      TYR  54  13.078  -2.005  -5.071
  529    HE2  TYR  54           HE2      TYR  54  10.879   1.259  -6.837
  530    HH   TYR  54           HH       TYR  54  13.001   1.402  -6.066
  531    H    THR  55           H        THR  55   9.358  -5.995  -6.910
  532    HA   THR  55           HA       THR  55   7.418  -7.436  -8.590
  533    HB   THR  55           HB       THR  55   7.840  -9.365  -7.464
  534    HG1  THR  55           HG1      THR  55   8.850  -9.386  -5.412
  535   HG21  THR  55          HG21      THR  55   9.936  -8.612  -8.618
  536   HG22  THR  55          HG22      THR  55  10.222  -9.680  -7.243
  537   HG23  THR  55          HG23      THR  55  10.512  -7.944  -7.067
  538    H    MET  56           H        MET  56   5.474  -8.523  -7.483
  539    HA   MET  56           HA       MET  56   3.785  -6.628  -6.196
  540    HB2  MET  56           HB2      MET  56   3.729  -9.651  -6.389
  541    HB3  MET  56           HB3      MET  56   2.557  -8.795  -5.383
  542    HG2  MET  56           HG2      MET  56   2.992  -8.226  -8.328
  543    HG3  MET  56           HG3      MET  56   1.728  -9.267  -7.679
  544    HE1  MET  56           HE1      MET  56   1.580  -6.520  -9.579
  545    HE2  MET  56           HE2      MET  56   0.197  -7.608  -9.313
  546    HE3  MET  56           HE3      MET  56   0.032  -5.862  -9.005
  547    H    LYS  57           H        LYS  57   5.908  -9.108  -4.715
  548    HA   LYS  57           HA       LYS  57   5.246  -8.588  -1.961
  549    HB2  LYS  57           HB2      LYS  57   6.312 -10.623  -2.667
  550    HB3  LYS  57           HB3      LYS  57   7.686  -9.774  -3.347
  551    HG2  LYS  57           HG2      LYS  57   7.029  -9.730  -0.374
  552    HG3  LYS  57           HG3      LYS  57   8.007 -10.978  -1.151
  553    HD2  LYS  57           HD2      LYS  57   9.509  -9.056  -2.015
  554    HD3  LYS  57           HD3      LYS  57   8.705  -8.049  -0.791
  555    HE2  LYS  57           HE2      LYS  57   9.381  -9.683   0.964
  556    HE3  LYS  57           HE3      LYS  57  10.239 -10.615  -0.274
  557    HZ1  LYS  57           HZ1      LYS  57  11.809  -9.148   0.766
  558    HZ2  LYS  57           HZ2      LYS  57  10.860  -7.833   0.562
  559    HZ3  LYS  57           HZ3      LYS  57  11.541  -8.534  -0.737
  560    H    GLU  58           H        GLU  58   7.836  -7.220  -4.059
  561    HA   GLU  58           HA       GLU  58   8.898  -5.589  -1.926
  562    HB2  GLU  58           HB2      GLU  58   9.171  -5.356  -4.938
  563    HB3  GLU  58           HB3      GLU  58  10.062  -4.369  -3.791
  564    HG2  GLU  58           HG2      GLU  58  10.246  -7.381  -4.177
  565    HG3  GLU  58           HG3      GLU  58  11.450  -6.178  -4.616
  566    H    VAL  59           H        VAL  59   6.517  -4.808  -4.495
  567    HA   VAL  59           HA       VAL  59   6.198  -2.038  -3.760
  568    HB   VAL  59           HB       VAL  59   4.197  -3.963  -5.023
  569   HG11  VAL  59          HG11      VAL  59   3.068  -1.988  -3.993
  570   HG12  VAL  59          HG12      VAL  59   4.128  -0.919  -4.917
  571   HG13  VAL  59          HG13      VAL  59   2.971  -1.996  -5.748
  572   HG21  VAL  59          HG21      VAL  59   4.815  -2.830  -7.132
  573   HG22  VAL  59          HG22      VAL  59   5.973  -1.796  -6.261
  574   HG23  VAL  59          HG23      VAL  59   6.261  -3.531  -6.396
  575    H    LEU  60           H        LEU  60   4.369  -4.998  -2.704
  576    HA   LEU  60           HA       LEU  60   2.711  -3.619  -0.828
  577    HB2  LEU  60           HB2      LEU  60   3.716  -6.487  -0.950
  578    HB3  LEU  60           HB3      LEU  60   2.610  -5.918   0.295
  579    HG   LEU  60           HG       LEU  60   1.914  -5.711  -2.650
  580   HD11  LEU  60          HD11      LEU  60   1.190  -7.896  -0.646
  581   HD12  LEU  60          HD12      LEU  60   2.278  -8.081  -2.040
  582   HD13  LEU  60          HD13      LEU  60   0.563  -7.741  -2.303
  583   HD21  LEU  60          HD21      LEU  60  -0.389  -5.558  -1.774
  584   HD22  LEU  60          HD22      LEU  60   0.603  -4.256  -1.112
  585   HD23  LEU  60          HD23      LEU  60   0.219  -5.665  -0.108
  586    H    PHE  61           H        PHE  61   5.971  -5.113  -0.357
  587    HA   PHE  61           HA       PHE  61   6.219  -4.513   2.361
  588    HB2  PHE  61           HB2      PHE  61   7.790  -5.992   1.513
  589    HB3  PHE  61           HB3      PHE  61   8.234  -4.927   0.198
  590    HD1  PHE  61           HD1      PHE  61   8.731  -5.587   3.803
  591    HD2  PHE  61           HD2      PHE  61   9.850  -3.126   0.441
  592    HE1  PHE  61           HE1      PHE  61  10.606  -4.633   5.122
  593    HE2  PHE  61           HE2      PHE  61  11.723  -2.181   1.759
  594    HZ   PHE  61           HZ       PHE  61  12.103  -2.925   4.105
  595    H    TYR  62           H        TYR  62   7.438  -2.466  -0.217
  596    HA   TYR  62           HA       TYR  62   8.078  -0.262   1.468
  597    HB2  TYR  62           HB2      TYR  62   7.549  -0.473  -1.461
  598    HB3  TYR  62           HB3      TYR  62   7.871   1.085  -0.712
  599    HD1  TYR  62           HD1      TYR  62  10.070   0.962   0.975
  600    HD2  TYR  62           HD2      TYR  62   9.353  -1.405  -2.559
  601    HE1  TYR  62           HE1      TYR  62  12.524   0.711   0.638
  602    HE2  TYR  62           HE2      TYR  62  11.785  -1.698  -2.864
  603    HH   TYR  62           HH       TYR  62  13.890  -1.254  -2.029
  604    H    LEU  63           H        LEU  63   4.992  -0.942  -0.158
  605    HA   LEU  63           HA       LEU  63   3.706   1.503   0.558
  606    HB2  LEU  63           HB2      LEU  63   2.965   0.042  -1.245
  607    HB3  LEU  63           HB3      LEU  63   2.673  -1.276  -0.109
  608    HG   LEU  63           HG       LEU  63   0.817  -0.041   0.922
  609   HD11  LEU  63          HD11      LEU  63  -0.018   2.012  -0.253
  610   HD12  LEU  63          HD12      LEU  63   1.502   2.095  -1.146
  611   HD13  LEU  63          HD13      LEU  63   1.485   2.281   0.630
  612   HD21  LEU  63          HD21      LEU  63   0.634  -0.065  -2.122
  613   HD22  LEU  63          HD22      LEU  63  -0.721  -0.134  -0.981
  614   HD23  LEU  63          HD23      LEU  63   0.418  -1.484  -1.074
  615    H    GLY  64           H        GLY  64   3.783  -1.697   2.210
  616    HA2  GLY  64           HA2      GLY  64   2.184  -0.971   4.474
  617    HA3  GLY  64           HA3      GLY  64   3.374  -2.271   4.397
  618    H    GLN  65           H        GLN  65   5.757  -0.841   3.956
  619    HA   GLN  65           HA       GLN  65   6.397   0.290   6.512
  620    HB2  GLN  65           HB2      GLN  65   7.807   0.375   3.823
  621    HB3  GLN  65           HB3      GLN  65   8.499   1.048   5.295
  622    HG2  GLN  65           HG2      GLN  65   7.656  -1.875   4.997
  623    HG3  GLN  65           HG3      GLN  65   9.289  -1.280   4.746
  624   HE21  GLN  65          HE21      GLN  65   7.653  -3.008   6.938
  625   HE22  GLN  65          HE22      GLN  65   8.436  -2.411   8.395
  626    H    TYR  66           H        TYR  66   5.259   1.846   3.497
  627    HA   TYR  66           HA       TYR  66   5.558   4.523   4.508
  628    HB2  TYR  66           HB2      TYR  66   5.525   4.333   2.191
  629    HB3  TYR  66           HB3      TYR  66   4.070   3.372   2.195
  630    HD1  TYR  66           HD1      TYR  66   1.831   4.376   2.652
  631    HD2  TYR  66           HD2      TYR  66   5.395   6.772   2.233
  632    HE1  TYR  66           HE1      TYR  66   0.441   6.411   2.345
  633    HE2  TYR  66           HE2      TYR  66   3.995   8.795   1.870
  634    HH   TYR  66           HH       TYR  66   1.863   9.645   1.782
  635    H    ILE  67           H        ILE  67   2.733   2.371   4.437
  636    HA   ILE  67           HA       ILE  67   0.955   4.089   5.854
  637    HB   ILE  67           HB       ILE  67   1.093   1.057   5.715
  638   HG12  ILE  67          HG12      ILE  67  -0.865   2.836   4.245
  639   HG13  ILE  67          HG13      ILE  67   0.727   2.530   3.559
  640   HG21  ILE  67          HG21      ILE  67  -0.282   1.607   7.637
  641   HG22  ILE  67          HG22      ILE  67  -1.113   2.892   6.747
  642   HG23  ILE  67          HG23      ILE  67  -1.385   1.198   6.328
  643   HD11  ILE  67          HD11      ILE  67  -1.316   0.374   4.203
  644   HD12  ILE  67          HD12      ILE  67  -0.877   0.991   2.601
  645   HD13  ILE  67          HD13      ILE  67   0.319   0.102   3.555
  646    H    MET  68           H        MET  68   3.336   1.734   7.064
  647    HA   MET  68           HA       MET  68   2.847   2.017   9.847
  648    HB2  MET  68           HB2      MET  68   4.156   0.197   8.886
  649    HB3  MET  68           HB3      MET  68   5.387   1.339   8.337
  650    HG2  MET  68           HG2      MET  68   5.747   1.982  10.771
  651    HG3  MET  68           HG3      MET  68   4.706   0.629  11.206
  652    HE1  MET  68           HE1      MET  68   6.834  -2.465  10.068
  653    HE2  MET  68           HE2      MET  68   5.342  -1.888  10.835
  654    HE3  MET  68           HE3      MET  68   5.596  -1.657   9.085
  655    H    THR  69           H        THR  69   5.403   3.657   7.859
  656    HA   THR  69           HA       THR  69   6.208   5.275  10.054
  657    HB   THR  69           HB       THR  69   7.594   4.538   8.071
  658    HG1  THR  69           HG1      THR  69   8.947   6.273   8.438
  659   HG21  THR  69          HG21      THR  69   6.195   5.648   6.293
  660   HG22  THR  69          HG22      THR  69   7.901   6.107   6.266
  661   HG23  THR  69          HG23      THR  69   6.695   7.228   6.934
  662    H    LYS  70           H        LYS  70   3.948   6.046   7.462
  663    HA   LYS  70           HA       LYS  70   3.443   8.763   8.494
  664    HB2  LYS  70           HB2      LYS  70   1.986   7.080   6.418
  665    HB3  LYS  70           HB3      LYS  70   1.661   8.771   6.758
  666    HG2  LYS  70           HG2      LYS  70   4.223   7.606   5.585
  667    HG3  LYS  70           HG3      LYS  70   2.983   8.510   4.733
  668    HD2  LYS  70           HD2      LYS  70   4.815   9.625   6.900
  669    HD3  LYS  70           HD3      LYS  70   4.971   9.869   5.158
  670    HE2  LYS  70           HE2      LYS  70   2.744  10.970   5.098
  671    HE3  LYS  70           HE3      LYS  70   2.594  10.763   6.849
  672    HZ1  LYS  70           HZ1      LYS  70   3.418  12.979   6.292
  673    HZ2  LYS  70           HZ2      LYS  70   4.705  12.367   5.500
  674    HZ3  LYS  70           HZ3      LYS  70   4.570  12.172   7.118
  675    H    ARG  71           H        ARG  71   2.475   5.687   9.483
  676    HA   ARG  71           HA       ARG  71   1.012   4.830  10.886
  677    HB2  ARG  71           HB2      ARG  71   2.287   6.772  12.203
  678    HB3  ARG  71           HB3      ARG  71   0.672   7.456  12.329
  679    HG2  ARG  71           HG2      ARG  71   0.232   4.789  12.992
  680    HG3  ARG  71           HG3      ARG  71   1.882   5.005  13.538
  681    HD2  ARG  71           HD2      ARG  71   0.454   5.438  15.419
  682    HD3  ARG  71           HD3      ARG  71   1.128   6.985  14.909
  683    HE   ARG  71           HE       ARG  71  -1.012   7.736  14.485
  684   HH11  ARG  71          HH11      ARG  71  -1.269   4.228  14.386
  685   HH12  ARG  71          HH12      ARG  71  -2.886   4.331  13.717
  686   HH21  ARG  71          HH21      ARG  71  -3.134   7.685  13.760
  687   HH22  ARG  71          HH22      ARG  71  -3.855   6.132  13.413
  688    H    LEU  72           H        LEU  72  -0.231   5.215   8.629
  689    HA   LEU  72           HA       LEU  72  -2.643   6.853   8.881
  690    HB2  LEU  72           HB2      LEU  72  -1.946   4.862   6.706
  691    HB3  LEU  72           HB3      LEU  72  -3.160   6.124   6.622
  692    HG   LEU  72           HG       LEU  72  -0.155   6.578   6.860
  693   HD11  LEU  72          HD11      LEU  72  -0.779   5.625   4.695
  694   HD12  LEU  72          HD12      LEU  72  -0.292   7.320   4.530
  695   HD13  LEU  72          HD13      LEU  72  -2.015   6.890   4.478
  696   HD21  LEU  72          HD21      LEU  72  -2.452   8.524   6.401
  697   HD22  LEU  72          HD22      LEU  72  -0.728   8.930   6.266
  698   HD23  LEU  72          HD23      LEU  72  -1.394   8.450   7.832
  699    H    TYR  73           H        TYR  73  -2.011   3.822  10.129
  700    HA   TYR  73           HA       TYR  73  -4.665   2.672   9.743
  701    HB2  TYR  73           HB2      TYR  73  -3.947   0.954  11.372
  702    HB3  TYR  73           HB3      TYR  73  -2.981   1.092   9.918
  703    HD1  TYR  73           HD1      TYR  73  -0.665   2.082   9.975
  704    HD2  TYR  73           HD2      TYR  73  -2.983   1.374  13.550
  705    HE1  TYR  73           HE1      TYR  73   1.382   2.337  11.365
  706    HE2  TYR  73           HE2      TYR  73  -0.917   1.587  14.923
  707    HH   TYR  73           HH       TYR  73   2.285   2.250  13.467
  708    H    ASP  74           H        ASP  74  -6.309   2.260  11.364
  709    HA   ASP  74           HA       ASP  74  -6.585   4.425  13.298
  710    HB2  ASP  74           HB2      ASP  74  -8.587   3.732  12.429
  711    HB3  ASP  74           HB3      ASP  74  -8.268   2.030  12.733
  712    H    GLU  75           H        GLU  75  -6.005   4.533  15.415
  713    HA   GLU  75           HA       GLU  75  -4.107   2.646  16.479
  714    HB2  GLU  75           HB2      GLU  75  -4.207   3.962  18.504
  715    HB3  GLU  75           HB3      GLU  75  -4.062   4.997  17.079
  716    HG2  GLU  75           HG2      GLU  75  -6.519   5.472  17.211
  717    HG3  GLU  75           HG3      GLU  75  -6.611   4.485  18.674
  718    H    LYS  76           H        LYS  76  -7.624   2.866  16.715
  719    HA   LYS  76           HA       LYS  76  -7.804   0.713  18.748
  720    HB2  LYS  76           HB2      LYS  76 -10.022   2.037  17.121
  721    HB3  LYS  76           HB3      LYS  76 -10.216   0.886  18.444
  722    HG2  LYS  76           HG2      LYS  76  -9.025   2.503  19.938
  723    HG3  LYS  76           HG3      LYS  76  -8.974   3.669  18.614
  724    HD2  LYS  76           HD2      LYS  76 -10.796   4.274  20.039
  725    HD3  LYS  76           HD3      LYS  76 -11.465   3.668  18.517
  726    HE2  LYS  76           HE2      LYS  76 -11.927   1.475  19.593
  727    HE3  LYS  76           HE3      LYS  76 -11.197   2.050  21.097
  728    HZ1  LYS  76           HZ1      LYS  76 -12.950   3.737  21.225
  729    HZ2  LYS  76           HZ2      LYS  76 -13.616   2.250  21.150
  730    HZ3  LYS  76           HZ3      LYS  76 -13.624   3.212  19.831
  731    H    GLN  77           H        GLN  77  -9.162   1.015  15.458
  732    HA   GLN  77           HA       GLN  77  -8.983  -1.911  15.085
  733    HB2  GLN  77           HB2      GLN  77  -9.993   0.196  13.142
  734    HB3  GLN  77           HB3      GLN  77 -10.155  -1.551  12.999
  735    HG2  GLN  77           HG2      GLN  77 -11.463   0.213  15.100
  736    HG3  GLN  77           HG3      GLN  77 -12.247  -0.532  13.718
  737   HE21  GLN  77          HE21      GLN  77 -13.234  -0.915  16.330
  738   HE22  GLN  77          HE22      GLN  77 -12.971  -2.601  16.758
  739    H    GLN  78           H        GLN  78  -6.728  -2.127  15.235
  740    HA   GLN  78           HA       GLN  78  -4.770  -0.852  13.643
  741    HB2  GLN  78           HB2      GLN  78  -4.890  -3.637  14.870
  742    HB3  GLN  78           HB3      GLN  78  -3.424  -2.944  14.198
  743    HG2  GLN  78           HG2      GLN  78  -4.992  -1.576  16.445
  744    HG3  GLN  78           HG3      GLN  78  -3.764  -2.791  16.748
  745   HE21  GLN  78          HE21      GLN  78  -3.873   0.228  17.357
  746   HE22  GLN  78          HE22      GLN  78  -2.293   0.732  16.765
  747    H    HIS  79           H        HIS  79  -7.016  -3.348  12.756
  748    HA   HIS  79           HA       HIS  79  -5.615  -4.165  10.328
  749    HB2  HIS  79           HB2      HIS  79  -7.301  -5.783  10.128
  750    HB3  HIS  79           HB3      HIS  79  -6.933  -5.672  11.844
  751    HD1  HIS  79           HD1      HIS  79  -8.931  -4.737  13.454
  752    HD2  HIS  79           HD2      HIS  79  -9.773  -5.148   9.351
  753    HE1  HIS  79           HE1      HIS  79 -11.457  -4.572  13.222
  754    H    ILE  80           H        ILE  80  -7.182  -1.301  10.881
  755    HA   ILE  80           HA       ILE  80  -8.200  -1.168   8.071
  756    HB   ILE  80           HB       ILE  80  -9.368   0.346  10.420
  757   HG12  ILE  80          HG12      ILE  80 -10.443  -2.157   9.046
  758   HG13  ILE  80          HG13      ILE  80  -9.878  -2.034  10.711
  759   HG21  ILE  80          HG21      ILE  80  -9.573   1.428   8.147
  760   HG22  ILE  80          HG22      ILE  80 -10.416  -0.028   7.575
  761   HG23  ILE  80          HG23      ILE  80 -11.120   0.994   8.840
  762   HD11  ILE  80          HD11      ILE  80 -11.722  -0.363  11.156
  763   HD12  ILE  80          HD12      ILE  80 -12.384  -0.781   9.556
  764   HD13  ILE  80          HD13      ILE  80 -12.244  -2.024  10.807
  765    H    VAL  81           H        VAL  81  -7.420   0.384   6.835
  766    HA   VAL  81           HA       VAL  81  -5.675   2.493   8.022
  767    HB   VAL  81           HB       VAL  81  -4.451   0.937   6.616
  768   HG11  VAL  81          HG11      VAL  81  -4.750   0.870   4.226
  769   HG12  VAL  81          HG12      VAL  81  -6.198   0.263   5.030
  770   HG13  VAL  81          HG13      VAL  81  -6.198   1.896   4.324
  771   HG21  VAL  81          HG21      VAL  81  -3.699   3.272   6.716
  772   HG22  VAL  81          HG22      VAL  81  -3.342   2.515   5.153
  773   HG23  VAL  81          HG23      VAL  81  -4.686   3.658   5.281
  774    H    TYR  82           H        TYR  82  -5.952   4.570   7.573
  775    HA   TYR  82           HA       TYR  82  -8.497   5.329   6.284
  776    HB2  TYR  82           HB2      TYR  82  -7.255   6.334   8.805
  777    HB3  TYR  82           HB3      TYR  82  -8.460   7.259   7.920
  778    HD1  TYR  82           HD2      TYR  82  -7.885   4.093   9.762
  779    HD2  TYR  82           HD1      TYR  82 -10.784   6.617   7.802
  780    HE1  TYR  82           HE2      TYR  82  -9.730   2.747  10.749
  781    HE2  TYR  82           HE1      TYR  82 -12.629   5.269   8.794
  782    HH   TYR  82           HH       TYR  82 -13.183   3.505  10.149
  783    H    CYS  83           H        CYS  83  -7.160   5.239   4.355
  784    HA   CYS  83           HA       CYS  83  -5.397   7.387   3.660
  785    HB2  CYS  83           HB2      CYS  83  -5.632   6.332   1.387
  786    HB3  CYS  83           HB3      CYS  83  -5.097   5.273   2.692
  787    HG   CYS  83           HG       CYS  83  -8.023   5.495   1.203
  788    H    SER  84           H        SER  84  -7.404   8.830   4.645
  789    HA   SER  84           HA       SER  84  -9.252   9.710   2.527
  790    HB2  SER  84           HB2      SER  84 -10.037   9.486   4.830
  791    HB3  SER  84           HB3      SER  84  -8.867  10.712   5.361
  792    HG   SER  84           HG       SER  84 -10.965  11.591   4.950
  793    H    ASN  85           H        ASN  85  -8.861  11.255   1.129
  794    HA   ASN  85           HA       ASN  85  -7.959  12.978  -0.009
  795    HB2  ASN  85           HB2      ASN  85  -8.106  14.234   2.750
  796    HB3  ASN  85           HB3      ASN  85  -7.971  15.132   1.241
  797   HD21  ASN  85          HD21      ASN  85 -10.130  15.290   3.202
  798   HD22  ASN  85          HD22      ASN  85 -11.579  14.869   2.301
  799    H    ASP  86           H        ASP  86  -5.884  11.125   0.904
  800    HA   ASP  86           HA       ASP  86  -3.504  12.919   0.744
  801    HB2  ASP  86           HB2      ASP  86  -2.267  11.253   2.075
  802    HB3  ASP  86           HB3      ASP  86  -3.571  12.050   2.937
  803    H    LEU  87           H        LEU  87  -1.474  11.461   0.113
  804    HA   LEU  87           HA       LEU  87  -1.727  10.768  -2.622
  805    HB2  LEU  87           HB2      LEU  87   0.371  11.436  -1.602
  806    HB3  LEU  87           HB3      LEU  87   0.354  10.024  -0.545
  807    HG   LEU  87           HG       LEU  87   0.638   8.523  -2.492
  808   HD11  LEU  87          HD11      LEU  87   0.825  11.101  -4.115
  809   HD12  LEU  87          HD12      LEU  87  -0.422   9.843  -4.277
  810   HD13  LEU  87          HD13      LEU  87   1.247   9.469  -4.698
  811   HD21  LEU  87          HD21      LEU  87   2.612   9.363  -1.317
  812   HD22  LEU  87          HD22      LEU  87   2.645  10.804  -2.358
  813   HD23  LEU  87          HD23      LEU  87   2.953   9.194  -3.047
  814    H    LEU  88           H        LEU  88  -1.885   8.657   0.280
  815    HA   LEU  88           HA       LEU  88  -1.973   6.211  -1.192
  816    HB2  LEU  88           HB2      LEU  88  -1.370   6.435   1.206
  817    HB3  LEU  88           HB3      LEU  88  -3.042   6.832   1.595
  818    HG   LEU  88           HG       LEU  88  -3.768   4.589   0.811
  819   HD11  LEU  88          HD11      LEU  88  -1.935   2.889   0.419
  820   HD12  LEU  88          HD12      LEU  88  -0.790   4.227   0.271
  821   HD13  LEU  88          HD13      LEU  88  -2.126   4.047  -0.894
  822   HD21  LEU  88          HD21      LEU  88  -1.405   4.390   2.704
  823   HD22  LEU  88          HD22      LEU  88  -2.766   3.244   2.570
  824   HD23  LEU  88          HD23      LEU  88  -3.033   4.887   3.193
  825    H    GLY  89           H        GLY  89  -4.582   8.358  -0.028
  826    HA2  GLY  89           HA2      GLY  89  -6.822   6.877  -0.984
  827    HA3  GLY  89           HA3      GLY  89  -6.728   8.634  -0.780
  828    H    ASP  90           H        ASP  90  -4.599   9.103  -2.695
  829    HA   ASP  90           HA       ASP  90  -6.064   9.014  -5.194
  830    HB2  ASP  90           HB2      ASP  90  -3.288   9.971  -4.502
  831    HB3  ASP  90           HB3      ASP  90  -3.864   9.874  -6.156
  832    H    LEU  91           H        LEU  91  -3.489   6.943  -3.895
  833    HA   LEU  91           HA       LEU  91  -3.300   5.328  -6.290
  834    HB2  LEU  91           HB2      LEU  91  -2.473   5.053  -3.378
  835    HB3  LEU  91           HB3      LEU  91  -2.482   3.635  -4.397
  836    HG   LEU  91           HG       LEU  91  -0.304   4.377  -4.345
  837   HD11  LEU  91          HD11      LEU  91  -1.341   5.371  -7.028
  838   HD12  LEU  91          HD12      LEU  91  -1.113   3.656  -6.586
  839   HD13  LEU  91          HD13      LEU  91   0.261   4.769  -6.653
  840   HD21  LEU  91          HD21      LEU  91  -1.174   7.155  -5.158
  841   HD22  LEU  91          HD22      LEU  91   0.507   6.583  -5.030
  842   HD23  LEU  91          HD23      LEU  91  -0.513   6.633  -3.591
  843    H    PHE  92           H        PHE  92  -4.994   4.692  -3.168
  844    HA   PHE  92           HA       PHE  92  -6.233   2.366  -4.330
  845    HB2  PHE  92           HB2      PHE  92  -6.329   3.556  -1.592
  846    HB3  PHE  92           HB3      PHE  92  -7.435   2.283  -2.060
  847    HD1  PHE  92           HD2      PHE  92  -6.358   0.202  -3.303
  848    HD2  PHE  92           HD1      PHE  92  -4.329   2.805  -0.560
  849    HE1  PHE  92           HE2      PHE  92  -4.781  -1.640  -2.738
  850    HE2  PHE  92           HE1      PHE  92  -2.790   0.952   0.065
  851    HZ   PHE  92           HZ       PHE  92  -2.999  -1.266  -1.047
  852    H    GLY  93           H        GLY  93  -7.458   5.592  -4.177
  853    HA2  GLY  93           HA2      GLY  93  -9.370   6.440  -5.130
  854    HA3  GLY  93           HA3      GLY  93  -9.801   4.831  -5.714
  855    H    VAL  94           H        VAL  94  -9.249   5.157  -2.286
  856    HA   VAL  94           HA       VAL  94 -12.126   5.505  -1.625
  857    HB   VAL  94           HB       VAL  94 -11.841   3.641   0.101
  858   HG11  VAL  94          HG11      VAL  94 -11.932   2.808  -2.813
  859   HG12  VAL  94          HG12      VAL  94 -12.533   1.880  -1.422
  860   HG13  VAL  94          HG13      VAL  94 -13.295   3.426  -1.841
  861   HG21  VAL  94          HG21      VAL  94  -9.367   3.297  -0.130
  862   HG22  VAL  94          HG22      VAL  94 -10.323   1.820  -0.316
  863   HG23  VAL  94          HG23      VAL  94  -9.665   2.619  -1.751
  864    HA   PRO  95           HA       PRO  95 -10.263   7.861   1.688
  865    HB2  PRO  95           HB2      PRO  95 -12.309   8.050   3.480
  866    HB3  PRO  95           HB3      PRO  95 -12.380   8.821   1.865
  867    HG2  PRO  95           HG2      PRO  95 -13.531   6.119   2.677
  868    HG3  PRO  95           HG3      PRO  95 -14.371   7.467   1.841
  869    HD2  PRO  95           HD2      PRO  95 -13.297   5.386   0.480
  870    HD3  PRO  95           HD3      PRO  95 -13.224   7.047  -0.173
  871    H    SER  96           H        SER  96 -11.400   4.600   2.282
  872    HA   SER  96           HA       SER  96  -9.271   4.032   4.127
  873    HB2  SER  96           HB2      SER  96 -10.671   3.338   6.044
  874    HB3  SER  96           HB3      SER  96 -10.822   5.071   5.740
  875    HG   SER  96           HG       SER  96 -12.856   4.080   6.102
  876    H    PHE  97           H        PHE  97  -9.171   1.707   4.685
  877    HA   PHE  97           HA       PHE  97 -11.285  -0.035   3.729
  878    HB2  PHE  97           HB2      PHE  97 -10.027  -1.414   2.208
  879    HB3  PHE  97           HB3      PHE  97 -10.060   0.223   1.604
  880    HD1  PHE  97           HD1      PHE  97  -7.971   1.606   1.544
  881    HD2  PHE  97           HD2      PHE  97  -7.960  -2.473   2.943
  882    HE1  PHE  97           HE1      PHE  97  -5.499   1.545   1.384
  883    HE2  PHE  97           HE2      PHE  97  -5.484  -2.507   2.820
  884    HZ   PHE  97           HZ       PHE  97  -4.251  -0.518   2.050
  885    H    SER  98           H        SER  98 -11.185  -2.147   4.547
  886    HA   SER  98           HA       SER  98  -9.430  -2.634   6.835
  887    HB2  SER  98           HB2      SER  98 -10.722  -4.735   7.043
  888    HB3  SER  98           HB3      SER  98 -11.715  -3.267   7.069
  889    HG   SER  98           HG       SER  98 -12.629  -4.855   5.730
  890    H    VAL  99           H        VAL  99  -7.636  -3.718   6.851
  891    HA   VAL  99           HA       VAL  99  -6.270  -4.535   4.468
  892    HB   VAL  99           HB       VAL  99  -5.543  -4.788   7.363
  893   HG11  VAL  99          HG11      VAL  99  -3.723  -4.941   4.945
  894   HG12  VAL  99          HG12      VAL  99  -3.193  -4.844   6.641
  895   HG13  VAL  99          HG13      VAL  99  -4.075  -6.265   6.093
  896   HG21  VAL  99          HG21      VAL  99  -4.224  -2.740   6.995
  897   HG22  VAL  99          HG22      VAL  99  -4.766  -2.666   5.303
  898   HG23  VAL  99          HG23      VAL  99  -5.914  -2.420   6.636
  899    H    LYS 100           H        LYS 100  -8.242  -6.290   6.717
  900    HA   LYS 100           HA       LYS 100  -7.202  -8.923   6.568
  901    HB2  LYS 100           HB2      LYS 100 -10.032  -7.860   6.950
  902    HB3  LYS 100           HB3      LYS 100  -9.629  -9.574   7.080
  903    HG2  LYS 100           HG2      LYS 100  -8.118  -9.183   8.922
  904    HG3  LYS 100           HG3      LYS 100  -8.317  -7.424   8.788
  905    HD2  LYS 100           HD2      LYS 100 -10.704  -7.616   9.337
  906    HD3  LYS 100           HD3      LYS 100 -10.574  -9.383   9.418
  907    HE2  LYS 100           HE2      LYS 100  -9.111  -9.282  11.336
  908    HE3  LYS 100           HE3      LYS 100  -8.909  -7.535  11.176
  909    HZ1  LYS 100           HZ1      LYS 100 -11.477  -8.874  11.840
  910    HZ2  LYS 100           HZ2      LYS 100 -11.252  -7.255  11.714
  911    HZ3  LYS 100           HZ3      LYS 100 -10.518  -8.098  12.909
  912    H    GLU 101           H        GLU 101  -9.246  -7.280   4.202
  913    HA   GLU 101           HA       GLU 101  -9.983  -9.807   2.895
  914    HB2  GLU 101           HB2      GLU 101 -10.729  -6.927   2.397
  915    HB3  GLU 101           HB3      GLU 101 -11.236  -8.264   1.342
  916    HG2  GLU 101           HG2      GLU 101 -12.241  -9.426   3.295
  917    HG3  GLU 101           HG3      GLU 101 -11.805  -8.064   4.332
  918    H    HIS 102           H        HIS 102  -8.189 -10.724   2.109
  919    HA   HIS 102           HA       HIS 102  -6.084  -9.717   0.633
  920    HB2  HIS 102           HB2      HIS 102  -7.539 -12.387   0.540
  921    HB3  HIS 102           HB3      HIS 102  -6.140 -12.072  -0.461
  922    HD1  HIS 102           HD1      HIS 102  -3.791 -12.400   0.633
  923    HD2  HIS 102           HD2      HIS 102  -7.020 -12.277   3.339
  924    HE1  HIS 102           HE1      HIS 102  -2.865 -13.092   2.898
  925    H    ARG 103           H        ARG 103  -9.084 -11.031  -0.847
  926    HA   ARG 103           HA       ARG 103  -8.407 -10.642  -3.547
  927    HB2  ARG 103           HB2      ARG 103 -10.308 -11.992  -2.657
  928    HB3  ARG 103           HB3      ARG 103 -11.181 -10.504  -2.271
  929    HG2  ARG 103           HG2      ARG 103 -11.168  -9.902  -4.723
  930    HG3  ARG 103           HG3      ARG 103 -10.317 -11.420  -5.045
  931    HD2  ARG 103           HD2      ARG 103 -12.332 -12.546  -3.819
  932    HD3  ARG 103           HD3      ARG 103 -13.158 -11.010  -4.025
  933    HE   ARG 103           HE       ARG 103 -12.290 -12.940  -6.121
  934   HH11  ARG 103          HH11      ARG 103 -14.006  -9.939  -5.515
  935   HH12  ARG 103          HH12      ARG 103 -14.792  -9.979  -7.070
  936   HH21  ARG 103          HH21      ARG 103 -13.293 -12.902  -8.084
  937   HH22  ARG 103          HH22      ARG 103 -14.389 -11.612  -8.483
  938    H    LYS 104           H        LYS 104 -10.035  -8.363  -1.390
  939    HA   LYS 104           HA       LYS 104 -10.641  -6.301  -3.279
  940    HB2  LYS 104           HB2      LYS 104 -11.715  -6.479  -1.116
  941    HB3  LYS 104           HB3      LYS 104 -10.177  -6.279  -0.273
  942    HG2  LYS 104           HG2      LYS 104  -9.996  -3.965  -1.001
  943    HG3  LYS 104           HG3      LYS 104 -11.417  -4.144  -2.051
  944    HD2  LYS 104           HD2      LYS 104 -12.147  -2.997  -0.079
  945    HD3  LYS 104           HD3      LYS 104 -12.774  -4.648   0.018
  946    HE2  LYS 104           HE2      LYS 104 -10.600  -5.141   1.410
  947    HE3  LYS 104           HE3      LYS 104 -10.457  -3.390   1.549
  948    HZ1  LYS 104           HZ1      LYS 104 -11.717  -4.337   3.421
  949    HZ2  LYS 104           HZ2      LYS 104 -12.764  -5.058   2.398
  950    HZ3  LYS 104           HZ3      LYS 104 -12.750  -3.423   2.517
  951    H    ILE 105           H        ILE 105  -7.796  -6.684  -1.134
  952    HA   ILE 105           HA       ILE 105  -6.528  -4.277  -2.176
  953    HB   ILE 105           HB       ILE 105  -5.504  -6.513  -0.403
  954   HG12  ILE 105          HG12      ILE 105  -6.215  -3.617   0.290
  955   HG13  ILE 105          HG13      ILE 105  -7.408  -4.903   0.355
  956   HG21  ILE 105          HG21      ILE 105  -4.180  -3.866  -1.176
  957   HG22  ILE 105          HG22      ILE 105  -3.649  -4.892   0.165
  958   HG23  ILE 105          HG23      ILE 105  -3.552  -5.499  -1.487
  959   HD11  ILE 105          HD11      ILE 105  -6.684  -4.665   2.520
  960   HD12  ILE 105          HD12      ILE 105  -5.928  -6.160   1.965
  961   HD13  ILE 105          HD13      ILE 105  -4.964  -4.661   2.102
  962    H    TYR 106           H        TYR 106  -6.087  -7.787  -2.839
  963    HA   TYR 106           HA       TYR 106  -3.991  -7.464  -4.736
  964    HB2  TYR 106           HB2      TYR 106  -6.149  -9.580  -4.568
  965    HB3  TYR 106           HB3      TYR 106  -4.734  -9.654  -5.601
  966    HD1  TYR 106           HD1      TYR 106  -2.835  -8.454  -3.194
  967    HD2  TYR 106           HD2      TYR 106  -5.595 -11.747  -3.662
  968    HE1  TYR 106           HE1      TYR 106  -1.626  -9.722  -1.444
  969    HE2  TYR 106           HE2      TYR 106  -4.357 -13.019  -1.922
  970    HH   TYR 106           HH       TYR 106  -1.397 -11.777  -0.388
  971    H    THR 107           H        THR 107  -7.539  -7.376  -5.300
  972    HA   THR 107           HA       THR 107  -7.173  -6.917  -8.109
  973    HB   THR 107           HB       THR 107  -9.222  -7.919  -7.011
  974    HG1  THR 107           HG1      THR 107 -10.449  -7.167  -8.750
  975   HG21  THR 107          HG21      THR 107 -11.114  -6.410  -6.677
  976   HG22  THR 107          HG22      THR 107 -10.090  -4.986  -6.958
  977   HG23  THR 107          HG23      THR 107  -9.836  -6.013  -5.529
  978    H    MET 108           H        MET 108  -7.450  -4.606  -5.429
  979    HA   MET 108           HA       MET 108  -7.366  -2.305  -7.202
  980    HB2  MET 108           HB2      MET 108  -6.719  -2.613  -4.252
  981    HB3  MET 108           HB3      MET 108  -6.625  -1.084  -5.147
  982    HG2  MET 108           HG2      MET 108  -9.005  -1.398  -5.863
  983    HG3  MET 108           HG3      MET 108  -9.120  -2.778  -4.782
  984    HE1  MET 108           HE1      MET 108  -8.881  -1.108  -1.236
  985    HE2  MET 108           HE2      MET 108  -8.877  -2.617  -2.185
  986    HE3  MET 108           HE3      MET 108  -7.424  -1.609  -2.122
  987    H    MET 109           H        MET 109  -4.808  -4.434  -5.942
  988    HA   MET 109           HA       MET 109  -2.624  -2.701  -6.648
  989    HB2  MET 109           HB2      MET 109  -2.942  -5.598  -5.938
  990    HB3  MET 109           HB3      MET 109  -1.516  -5.179  -6.884
  991    HG2  MET 109           HG2      MET 109  -2.304  -3.819  -4.291
  992    HG3  MET 109           HG3      MET 109  -1.116  -5.118  -4.450
  993    HE1  MET 109           HE1      MET 109   1.127  -3.626  -3.461
  994    HE2  MET 109           HE2      MET 109   0.931  -1.867  -3.630
  995    HE3  MET 109           HE3      MET 109  -0.386  -2.830  -2.934
  996    H    ALA 110           H        ALA 110  -4.536  -4.963  -8.611
  997    HA   ALA 110           HA       ALA 110  -2.872  -4.939 -10.923
  998    HB1  ALA 110           HB1      ALA 110  -4.768  -6.486 -10.466
  999    HB2  ALA 110           HB2      ALA 110  -5.905  -5.145 -10.691
 1000    HB3  ALA 110           HB3      ALA 110  -4.912  -5.702 -12.057
 1001    H    SER 111           H        SER 111  -5.182  -2.519  -9.726
 1002    HA   SER 111           HA       SER 111  -5.147  -0.816 -12.086
 1003    HB2  SER 111           HB2      SER 111  -6.958  -0.816 -10.387
 1004    HB3  SER 111           HB3      SER 111  -5.825  -0.159  -9.194
 1005    HG   SER 111           HG       SER 111  -7.092   1.462 -10.189
 1006    H    MET 112           H        MET 112  -2.834  -1.348  -9.524
 1007    HA   MET 112           HA       MET 112  -1.517   1.264  -9.906
 1008    HB2  MET 112           HB2      MET 112  -0.688  -1.023  -8.096
 1009    HB3  MET 112           HB3      MET 112  -0.060   0.632  -8.132
 1010    HG2  MET 112           HG2      MET 112  -2.380   1.465  -7.623
 1011    HG3  MET 112           HG3      MET 112  -2.853  -0.215  -7.355
 1012    HE1  MET 112           HE1      MET 112  -3.720   0.068  -4.973
 1013    HE2  MET 112           HE2      MET 112  -2.954   1.167  -3.797
 1014    HE3  MET 112           HE3      MET 112  -3.533   1.790  -5.365
 1015    H    THR 113           H        THR 113  -1.458  -1.570 -11.604
 1016    HA   THR 113           HA       THR 113   1.274  -1.077 -12.632
 1017    HB   THR 113           HB       THR 113   1.924  -3.286 -12.587
 1018    HG1  THR 113           HG1      THR 113   0.566  -4.975 -12.154
 1019   HG21  THR 113          HG21      THR 113   1.729  -4.059 -10.268
 1020   HG22  THR 113          HG22      THR 113   0.404  -2.941  -9.962
 1021   HG23  THR 113          HG23      THR 113   2.032  -2.314 -10.310
 1022    H    GLY 114           H        GLY 114  -1.710  -0.766 -13.685
 1023    HA2  GLY 114           HA2      GLY 114  -0.928  -0.945 -16.462
 1024    HA3  GLY 114           HA3      GLY 114  -2.041  -2.240 -16.026
 1025    H    GLY 115           H        GLY 115  -3.049  -0.928 -17.881
 1026    HA2  GLY 115           HA2      GLY 115  -5.080   0.053 -18.460
 1027    HA3  GLY 115           HA3      GLY 115  -5.264   0.715 -16.842
 1028    H    GLN 116           H        GLN 116  -5.757   2.039 -19.315
 1029    HA   GLN 116           HA       GLN 116  -3.614   3.862 -19.990
 1030    HB2  GLN 116           HB2      GLN 116  -6.541   3.846 -20.849
 1031    HB3  GLN 116           HB3      GLN 116  -5.248   4.819 -21.541
 1032    HG2  GLN 116           HG2      GLN 116  -5.419   3.097 -23.058
 1033    HG3  GLN 116           HG3      GLN 116  -4.026   2.633 -22.093
 1034   HE21  GLN 116          HE21      GLN 116  -4.753   0.529 -23.346
 1035   HE22  GLN 116          HE22      GLN 116  -5.867  -0.501 -22.457
 1036    H    GLN 117           H        GLN 117  -3.857   4.245 -17.357
 1037    HA   GLN 117           HA       GLN 117  -5.775   6.298 -16.611
 1038    HB2  GLN 117           HB2      GLN 117  -3.498   5.040 -15.032
 1039    HB3  GLN 117           HB3      GLN 117  -4.780   6.083 -14.388
 1040    HG2  GLN 117           HG2      GLN 117  -6.481   4.402 -15.219
 1041    HG3  GLN 117           HG3      GLN 117  -5.145   3.328 -15.638
 1042   HE21  GLN 117          HE21      GLN 117  -6.352   1.855 -14.096
 1043   HE22  GLN 117          HE22      GLN 117  -5.971   2.012 -12.386
 1044    H    MET 118           H        MET 118  -4.478   7.476 -18.607
 1045    HA   MET 118           HA       MET 118  -2.189   9.080 -17.887
 1046    HB2  MET 118           HB2      MET 118  -2.754   8.433 -20.182
 1047    HB3  MET 118           HB3      MET 118  -4.258   9.360 -20.102
 1048    HG2  MET 118           HG2      MET 118  -3.007  11.455 -19.927
 1049    HG3  MET 118           HG3      MET 118  -1.488  10.567 -19.784
 1050    HE1  MET 118           HE1      MET 118  -4.358  11.810 -22.118
 1051    HE2  MET 118           HE2      MET 118  -3.973  11.050 -23.677
 1052    HE3  MET 118           HE3      MET 118  -4.571  10.056 -22.334
 1053    H    GLY 119           H        GLY 119  -5.653   9.588 -17.500
 1054    HA2  GLY 119           HA2      GLY 119  -5.533  11.569 -15.532
 1055    HA3  GLY 119           HA3      GLY 119  -5.658  12.443 -17.060
  Start of MODEL    8
    1    H1   MET -11           H1       MET -11   3.509  -1.151  20.002
    2    H2   MET -11           H2       MET -11   4.740  -2.171  20.354
    3    H3   MET -11           H3       MET -11   3.190  -2.645  20.593
    4    HA   MET -11           HA       MET -11   4.419  -2.060  17.982
    5    HB2  MET -11           HB2      MET -11   5.310  -4.135  18.911
    6    HB3  MET -11           HB3      MET -11   3.680  -4.731  19.229
    7    HG2  MET -11           HG2      MET -11   4.520  -5.795  17.252
    8    HG3  MET -11           HG3      MET -11   3.206  -4.725  16.784
    9    HE1  MET -11           HE1      MET -11   4.957  -5.931  14.578
   10    HE2  MET -11           HE2      MET -11   3.731  -4.678  14.272
   11    HE3  MET -11           HE3      MET -11   5.363  -4.511  13.588
   12    HA   PRO -10           HA       PRO -10   0.042  -1.442  17.010
   13    HB2  PRO -10           HB2      PRO -10   0.310  -0.680  14.395
   14    HB3  PRO -10           HB3      PRO -10   0.693   0.402  15.769
   15    HG2  PRO -10           HG2      PRO -10   2.624  -1.326  14.177
   16    HG3  PRO -10           HG3      PRO -10   2.773   0.416  14.567
   17    HD2  PRO -10           HD2      PRO -10   4.019  -1.458  16.053
   18    HD3  PRO -10           HD3      PRO -10   3.274  -0.032  16.832
   19    H    ARG  -9           H        ARG  -9  -1.474  -2.792  16.170
   20    HA   ARG  -9           HA       ARG  -9  -0.664  -5.437  15.222
   21    HB2  ARG  -9           HB2      ARG  -9  -3.342  -4.159  15.841
   22    HB3  ARG  -9           HB3      ARG  -9  -3.223  -5.746  15.104
   23    HG2  ARG  -9           HG2      ARG  -9  -3.523  -6.027  17.439
   24    HG3  ARG  -9           HG3      ARG  -9  -1.908  -6.588  17.008
   25    HD2  ARG  -9           HD2      ARG  -9  -0.891  -4.612  17.972
   26    HD3  ARG  -9           HD3      ARG  -9  -2.477  -3.857  18.229
   27    HE   ARG  -9           HE       ARG  -9  -2.899  -5.963  19.711
   28   HH11  ARG  -9          HH11      ARG  -9   0.195  -4.250  19.635
   29   HH12  ARG  -9          HH12      ARG  -9   0.568  -4.761  21.260
   30   HH21  ARG  -9          HH21      ARG  -9  -2.307  -6.557  21.741
   31   HH22  ARG  -9          HH22      ARG  -9  -0.796  -6.015  22.408
   32    H    PHE  -8           H        PHE  -8  -1.033  -2.624  13.480
   33    HA   PHE  -8           HA       PHE  -8  -2.234  -3.434  11.092
   34    HB2  PHE  -8           HB2      PHE  -8  -1.797  -1.159  11.309
   35    HB3  PHE  -8           HB3      PHE  -8  -0.114  -1.417  11.723
   36    HD1  PHE  -8           HD1      PHE  -8  -2.535  -1.706   8.888
   37    HD2  PHE  -8           HD2      PHE  -8   1.604  -1.402  10.069
   38    HE1  PHE  -8           HE1      PHE  -8  -1.859  -1.530   6.502
   39    HE2  PHE  -8           HE2      PHE  -8   2.269  -1.231   7.682
   40    HZ   PHE  -8           HZ       PHE  -8   0.539  -1.318   5.899
   41    H    TRP  -7           H        TRP  -7   1.227  -3.860  11.870
   42    HA   TRP  -7           HA       TRP  -7   1.838  -4.711   9.232
   43    HB2  TRP  -7           HB2      TRP  -7   3.469  -3.646  10.625
   44    HB3  TRP  -7           HB3      TRP  -7   3.421  -4.973  11.784
   45    HD1  TRP  -7           HD1      TRP  -7   4.833  -7.107  11.278
   46    HE1  TRP  -7           HE1      TRP  -7   6.463  -7.834   9.439
   47    HE3  TRP  -7           HE3      TRP  -7   3.880  -3.417   7.858
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.184  -6.989   6.773
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.018  -3.444   5.647
   50    HH2  TRP  -7           HH2      TRP  -7   6.657  -5.216   5.093
   51    H    GLU  -6           H        GLU  -6   1.004  -6.765  12.057
   52    HA   GLU  -6           HA       GLU  -6   1.783  -9.212  10.734
   53    HB2  GLU  -6           HB2      GLU  -6   0.412 -10.375  12.354
   54    HB3  GLU  -6           HB3      GLU  -6   1.516  -9.218  13.103
   55    HG2  GLU  -6           HG2      GLU  -6  -0.312  -7.656  13.503
   56    HG3  GLU  -6           HG3      GLU  -6  -1.455  -8.713  12.656
   57    H    TYR  -5           H        TYR  -5  -1.184  -7.284  10.570
   58    HA   TYR  -5           HA       TYR  -5  -2.520  -9.159   8.800
   59    HB2  TYR  -5           HB2      TYR  -5  -3.142  -6.329   9.603
   60    HB3  TYR  -5           HB3      TYR  -5  -3.992  -7.132   8.295
   61    HD1  TYR  -5           HD2      TYR  -5  -5.080  -9.415   8.699
   62    HD2  TYR  -5           HD1      TYR  -5  -3.875  -6.732  11.857
   63    HE1  TYR  -5           HE2      TYR  -5  -6.581 -10.600  10.274
   64    HE2  TYR  -5           HE1      TYR  -5  -5.402  -7.910  13.435
   65    HH   TYR  -5           HH       TYR  -5  -7.225 -10.835  12.493
   66    H    TRP  -4           H        TRP  -4  -0.554  -6.269   8.214
   67    HA   TRP  -4           HA       TRP  -4  -0.908  -6.285   5.351
   68    HB2  TRP  -4           HB2      TRP  -4  -0.129  -4.378   6.845
   69    HB3  TRP  -4           HB3      TRP  -4   1.437  -5.186   6.960
   70    HD1  TRP  -4           HD1      TRP  -4   2.950  -5.213   4.771
   71    HE1  TRP  -4           HE1      TRP  -4   2.829  -4.044   2.481
   72    HE3  TRP  -4           HE3      TRP  -4  -1.836  -3.450   5.022
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.826  -2.754   0.874
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.873  -2.360   3.053
   75    HH2  TRP  -4           HH2      TRP  -4  -1.561  -1.992   0.977
   76    H    LEU  -3           H        LEU  -3   1.595  -7.839   7.433
   77    HA   LEU  -3           HA       LEU  -3   3.205  -8.833   5.349
   78    HB2  LEU  -3           HB2      LEU  -3   3.715  -8.761   7.809
   79    HB3  LEU  -3           HB3      LEU  -3   2.563 -10.073   8.057
   80    HG   LEU  -3           HG       LEU  -3   4.006 -11.532   6.558
   81   HD11  LEU  -3          HD11      LEU  -3   6.345 -10.767   6.174
   82   HD12  LEU  -3          HD12      LEU  -3   5.916  -9.165   6.821
   83   HD13  LEU  -3          HD13      LEU  -3   5.188  -9.747   5.311
   84   HD21  LEU  -3          HD21      LEU  -3   4.167 -11.634   9.012
   85   HD22  LEU  -3          HD22      LEU  -3   5.356 -10.314   9.002
   86   HD23  LEU  -3          HD23      LEU  -3   5.751 -11.882   8.258
   87    H    ARG  -2           H        ARG  -2   0.107 -10.046   6.550
   88    HA   ARG  -2           HA       ARG  -2   0.219 -12.637   5.272
   89    HB2  ARG  -2           HB2      ARG  -2  -1.129 -12.141   7.266
   90    HB3  ARG  -2           HB3      ARG  -2  -2.122 -11.031   6.338
   91    HG2  ARG  -2           HG2      ARG  -2  -3.236 -13.146   6.715
   92    HG3  ARG  -2           HG3      ARG  -2  -3.014 -12.862   4.989
   93    HD2  ARG  -2           HD2      ARG  -2  -1.279 -14.485   4.828
   94    HD3  ARG  -2           HD3      ARG  -2  -1.062 -14.560   6.587
   95    HE   ARG  -2           HE       ARG  -2  -3.605 -15.399   6.401
   96   HH11  ARG  -2          HH11      ARG  -2  -0.771 -16.564   4.622
   97   HH12  ARG  -2          HH12      ARG  -2  -1.603 -18.059   4.212
   98   HH21  ARG  -2          HH21      ARG  -2  -4.337 -17.488   6.154
   99   HH22  ARG  -2          HH22      ARG  -2  -3.282 -18.659   5.391
  100    H    LEU  -1           H        LEU  -1  -0.482  -9.459   4.025
  101    HA   LEU  -1           HA       LEU  -1  -1.864 -10.301   1.616
  102    HB2  LEU  -1           HB2      LEU  -1  -0.082  -7.923   2.233
  103    HB3  LEU  -1           HB3      LEU  -1  -0.837  -8.144   0.683
  104    HG   LEU  -1           HG       LEU  -1  -2.439  -7.905   3.253
  105   HD11  LEU  -1          HD11      LEU  -1  -2.802  -5.572   2.494
  106   HD12  LEU  -1          HD12      LEU  -1  -1.691  -5.851   1.129
  107   HD13  LEU  -1          HD13      LEU  -1  -1.083  -5.895   2.790
  108   HD21  LEU  -1          HD21      LEU  -1  -3.212  -7.568   0.310
  109   HD22  LEU  -1          HD22      LEU  -1  -4.286  -7.405   1.712
  110   HD23  LEU  -1          HD23      LEU  -1  -3.606  -8.990   1.275
  111    H    MET   0           H        MET   0   1.626  -9.472   2.181
  112    HA   MET   0           HA       MET   0   2.321 -10.421  -0.435
  113    HB2  MET   0           HB2      MET   0   4.596 -10.021   0.133
  114    HB3  MET   0           HB3      MET   0   3.616  -8.694   0.746
  115    HG2  MET   0           HG2      MET   0   3.779  -9.609   3.032
  116    HG3  MET   0           HG3      MET   0   4.667 -11.009   2.426
  117    HE1  MET   0           HE1      MET   0   4.724  -7.352   3.500
  118    HE2  MET   0           HE2      MET   0   6.309  -6.751   2.976
  119    HE3  MET   0           HE3      MET   0   5.038  -7.050   1.767
  120    H    GLU   1           H        GLU   1   2.359 -11.990   2.760
  121    HA   GLU   1           HA       GLU   1   3.743 -14.367   1.907
  122    HB2  GLU   1           HB2      GLU   1   3.777 -13.496   4.161
  123    HB3  GLU   1           HB3      GLU   1   2.049 -13.722   4.354
  124    HG2  GLU   1           HG2      GLU   1   3.882 -16.044   3.694
  125    HG3  GLU   1           HG3      GLU   1   3.789 -15.425   5.338
  126    H    GLY   2           H        GLY   2   0.264 -13.544   2.077
  127    HA2  GLY   2           HA2      GLY   2  -0.574 -16.242   1.255
  128    HA3  GLY   2           HA3      GLY   2  -1.595 -14.858   1.639
  129    H    GLY   3           H        GLY   3   0.570 -13.616  -0.487
  130    HA2  GLY   3           HA2      GLY   3  -1.391 -13.232  -2.499
  131    HA3  GLY   3           HA3      GLY   3   0.273 -12.657  -2.529
  132    H    GLY   4           H        GLY   4  -0.722 -16.076  -2.510
  133    HA2  GLY   4           HA2      GLY   4   1.001 -16.733  -4.756
  134    HA3  GLY   4           HA3      GLY   4  -0.006 -17.841  -3.826
  135    H    GLU   5           H        GLU   5  -0.828 -15.012  -5.835
  136    HA   GLU   5           HA       GLU   5  -2.438 -14.615  -7.363
  137    HB2  GLU   5           HB2      GLU   5  -2.079 -15.622  -9.489
  138    HB3  GLU   5           HB3      GLU   5  -0.556 -15.259  -8.689
  139    HG2  GLU   5           HG2      GLU   5  -0.183 -17.604  -8.169
  140    HG3  GLU   5           HG3      GLU   5  -1.786 -18.042  -8.778
  141    H    ASN   6           H        ASN   6  -3.499 -16.305  -5.266
  142    HA   ASN   6           HA       ASN   6  -5.339 -18.202  -6.357
  143    HB2  ASN   6           HB2      ASN   6  -6.310 -18.079  -3.963
  144    HB3  ASN   6           HB3      ASN   6  -4.665 -18.639  -4.206
  145   HD21  ASN   6          HD21      ASN   6  -3.450 -17.979  -2.507
  146   HD22  ASN   6          HD22      ASN   6  -3.425 -16.340  -1.878
  147    H    LEU   7           H        LEU   7  -5.627 -14.878  -6.608
  148    HA   LEU   7           HA       LEU   7  -8.520 -14.741  -6.325
  149    HB2  LEU   7           HB2      LEU   7  -6.926 -12.894  -5.708
  150    HB3  LEU   7           HB3      LEU   7  -6.620 -12.653  -7.427
  151    HG   LEU   7           HG       LEU   7  -9.099 -12.134  -7.730
  152   HD11  LEU   7          HD11      LEU   7 -10.082 -13.278  -5.832
  153   HD12  LEU   7          HD12      LEU   7 -10.363 -11.545  -5.663
  154   HD13  LEU   7          HD13      LEU   7  -9.100 -12.322  -4.691
  155   HD21  LEU   7          HD21      LEU   7  -7.627 -10.480  -5.664
  156   HD22  LEU   7          HD22      LEU   7  -8.993  -9.946  -6.649
  157   HD23  LEU   7          HD23      LEU   7  -7.449 -10.334  -7.431
  158    H    TYR   8           H        TYR   8  -8.388 -16.710  -7.923
  159    HA   TYR   8           HA       TYR   8  -9.030 -15.723 -10.647
  160    HB2  TYR   8           HB2      TYR   8  -9.039 -18.199 -11.256
  161    HB3  TYR   8           HB3      TYR   8  -7.536 -17.338 -11.001
  162    HD1  TYR   8           HD2      TYR   8 -10.001 -19.413  -9.030
  163    HD2  TYR   8           HD1      TYR   8  -5.873 -18.333  -9.695
  164    HE1  TYR   8           HE2      TYR   8  -9.282 -21.106  -7.351
  165    HE2  TYR   8           HE1      TYR   8  -5.159 -20.045  -8.043
  166    HH   TYR   8           HH       TYR   8  -5.827 -21.691  -6.590
  167    H    PHE   9           H        PHE   9 -10.735 -16.260  -7.924
  168    HA   PHE   9           HA       PHE   9 -12.926 -17.783  -8.774
  169    HB2  PHE   9           HB2      PHE   9 -12.504 -15.937  -6.458
  170    HB3  PHE   9           HB3      PHE   9 -14.058 -16.713  -6.743
  171    HD1  PHE   9           HD1      PHE   9 -10.469 -17.375  -5.981
  172    HD2  PHE   9           HD2      PHE   9 -14.410 -19.081  -6.414
  173    HE1  PHE   9           HE1      PHE   9  -9.656 -19.496  -5.002
  174    HE2  PHE   9           HE2      PHE   9 -13.595 -21.200  -5.409
  175    HZ   PHE   9           HZ       PHE   9 -11.223 -21.418  -4.714
  176    H    GLN  10           H        GLN  10 -13.966 -17.385 -10.572
  177    HA   GLN  10           HA       GLN  10 -15.172 -16.411 -12.182
  178    HB2  GLN  10           HB2      GLN  10 -16.852 -16.295 -10.306
  179    HB3  GLN  10           HB3      GLN  10 -16.403 -14.610 -10.080
  180    HG2  GLN  10           HG2      GLN  10 -16.948 -14.934 -12.887
  181    HG3  GLN  10           HG3      GLN  10 -18.194 -15.837 -12.040
  182   HE21  GLN  10          HE21      GLN  10 -16.522 -12.638 -11.831
  183   HE22  GLN  10          HE22      GLN  10 -17.990 -11.747 -11.396
  184    H    GLY  11           H        GLY  11 -12.575 -15.614 -11.924
  185    HA2  GLY  11           HA2      GLY  11 -11.225 -14.139 -13.183
  186    HA3  GLY  11           HA3      GLY  11 -12.518 -12.948 -13.227
  187    H    MET  12           H        MET  12 -10.428 -11.690 -12.746
  188    HA   MET  12           HA       MET  12  -9.384 -11.765 -10.030
  189    HB2  MET  12           HB2      MET  12  -8.947  -9.811 -12.314
  190    HB3  MET  12           HB3      MET  12  -8.080  -9.774 -10.772
  191    HG2  MET  12           HG2      MET  12  -7.271 -12.082 -11.163
  192    HG3  MET  12           HG3      MET  12  -8.038 -12.083 -12.751
  193    HE1  MET  12           HE1      MET  12  -5.902  -9.544 -14.802
  194    HE2  MET  12           HE2      MET  12  -7.233 -10.720 -14.823
  195    HE3  MET  12           HE3      MET  12  -7.418  -9.174 -13.960
  196    H    SER  13           H        SER  13 -12.146 -10.182 -11.344
  197    HA   SER  13           HA       SER  13 -12.060  -7.818  -9.682
  198    HB2  SER  13           HB2      SER  13 -14.354  -9.001 -11.271
  199    HB3  SER  13           HB3      SER  13 -14.313  -7.398 -10.515
  200    HG   SER  13           HG       SER  13 -13.719  -7.311 -12.742
  201    H    VAL  14           H        VAL  14 -11.705  -9.703  -7.837
  202    HA   VAL  14           HA       VAL  14 -12.332 -10.362  -5.784
  203    HB   VAL  14           HB       VAL  14 -14.791  -8.631  -6.107
  204   HG11  VAL  14          HG11      VAL  14 -13.371  -9.467  -3.539
  205   HG12  VAL  14          HG12      VAL  14 -14.805  -8.438  -3.683
  206   HG13  VAL  14          HG13      VAL  14 -14.926 -10.142  -4.107
  207   HG21  VAL  14          HG21      VAL  14 -12.008  -7.957  -5.076
  208   HG22  VAL  14          HG22      VAL  14 -12.833  -7.258  -6.488
  209   HG23  VAL  14          HG23      VAL  14 -13.438  -6.920  -4.871
  210    HA   PRO  15           HA       PRO  15 -14.620 -14.137  -6.446
  211    HB2  PRO  15           HB2      PRO  15 -15.283 -14.812  -3.808
  212    HB3  PRO  15           HB3      PRO  15 -13.729 -15.158  -4.616
  213    HG2  PRO  15           HG2      PRO  15 -14.423 -12.794  -2.854
  214    HG3  PRO  15           HG3      PRO  15 -12.965 -13.845  -2.792
  215    HD2  PRO  15           HD2      PRO  15 -12.780 -11.507  -4.022
  216    HD3  PRO  15           HD3      PRO  15 -12.128 -12.951  -4.832
  217    H    THR  16           H        THR  16 -16.617 -14.418  -7.131
  218    HA   THR  16           HA       THR  16 -18.703 -12.550  -6.580
  219    HB   THR  16           HB       THR  16 -18.221 -13.766  -8.728
  220    HG1  THR  16           HG1      THR  16 -20.269 -13.501  -9.358
  221   HG21  THR  16          HG21      THR  16 -20.075 -15.881  -7.533
  222   HG22  THR  16          HG22      THR  16 -18.340 -16.111  -7.849
  223   HG23  THR  16          HG23      THR  16 -19.451 -15.813  -9.193
  224    H    ASP  17           H        ASP  17 -17.987 -15.516  -5.010
  225    HA   ASP  17           HA       ASP  17 -20.124 -15.050  -3.063
  226    HB2  ASP  17           HB2      ASP  17 -21.276 -16.504  -4.621
  227    HB3  ASP  17           HB3      ASP  17 -19.912 -17.620  -4.659
  228    H    GLY  18           H        GLY  18 -19.522 -15.629  -0.995
  229    HA2  GLY  18           HA2      GLY  18 -18.116 -16.198   0.751
  230    HA3  GLY  18           HA3      GLY  18 -17.475 -17.476  -0.280
  231    H    ALA  19           H        ALA  19 -15.323 -17.341  -0.160
  232    HA   ALA  19           HA       ALA  19 -13.914 -14.907  -1.009
  233    HB1  ALA  19           HB1      ALA  19 -13.341 -16.271   1.658
  234    HB2  ALA  19           HB2      ALA  19 -12.401 -14.942   0.946
  235    HB3  ALA  19           HB3      ALA  19 -14.078 -14.667   1.450
  236    H    VAL  20           H        VAL  20 -11.541 -15.354  -1.318
  237    HA   VAL  20           HA       VAL  20 -11.077 -17.776  -2.799
  238    HB   VAL  20           HB       VAL  20  -8.921 -17.033  -3.260
  239   HG11  VAL  20          HG11      VAL  20 -10.763 -15.643  -4.261
  240   HG12  VAL  20          HG12      VAL  20 -10.502 -14.443  -2.974
  241   HG13  VAL  20          HG13      VAL  20  -9.202 -14.816  -4.114
  242   HG21  VAL  20          HG21      VAL  20  -9.124 -15.078  -0.933
  243   HG22  VAL  20          HG22      VAL  20  -8.039 -16.483  -1.056
  244   HG23  VAL  20          HG23      VAL  20  -7.820 -15.108  -2.138
  245    H    THR  21           H        THR  21  -9.393 -19.390  -2.412
  246    HA   THR  21           HA       THR  21  -9.784 -20.597   0.105
  247    HB   THR  21           HB       THR  21  -8.688 -22.448  -0.531
  248    HG1  THR  21           HG1      THR  21  -7.044 -22.512  -2.039
  249   HG21  THR  21          HG21      THR  21  -9.270 -22.977  -2.801
  250   HG22  THR  21          HG22      THR  21  -9.262 -21.269  -3.279
  251   HG23  THR  21          HG23      THR  21 -10.523 -21.890  -2.180
  252    H    THR  22           H        THR  22  -8.550 -21.143   1.843
  253    HA   THR  22           HA       THR  22  -6.539 -19.176   2.606
  254    HB   THR  22           HB       THR  22  -6.725 -19.780   4.780
  255    HG1  THR  22           HG1      THR  22  -7.570 -21.738   5.482
  256   HG21  THR  22          HG21      THR  22  -9.505 -20.546   3.784
  257   HG22  THR  22          HG22      THR  22  -8.911 -18.873   3.918
  258   HG23  THR  22          HG23      THR  22  -9.060 -19.880   5.366
  259    H    SER  23           H        SER  23  -4.518 -19.742   3.695
  260    HA   SER  23           HA       SER  23  -3.212 -22.220   2.701
  261    HB2  SER  23           HB2      SER  23  -1.281 -20.998   1.911
  262    HB3  SER  23           HB3      SER  23  -2.732 -20.434   1.067
  263    HG   SER  23           HG       SER  23  -1.430 -18.698   1.750
  264    H    GLN  24           H        GLN  24  -1.679 -23.070   3.957
  265    HA   GLN  24           HA       GLN  24  -1.093 -21.833   6.593
  266    HB2  GLN  24           HB2      GLN  24  -0.856 -23.963   7.454
  267    HB3  GLN  24           HB3      GLN  24  -2.263 -24.076   6.424
  268    HG2  GLN  24           HG2      GLN  24   0.537 -25.097   5.717
  269    HG3  GLN  24           HG3      GLN  24  -0.750 -26.059   6.403
  270   HE21  GLN  24          HE21      GLN  24   0.155 -27.217   4.272
  271   HE22  GLN  24          HE22      GLN  24  -0.862 -26.918   2.868
  272    H    ILE  25           H        ILE  25   0.355 -21.768   3.705
  273    HA   ILE  25           HA       ILE  25   3.123 -21.748   4.736
  274    HB   ILE  25           HB       ILE  25   3.747 -22.874   2.450
  275   HG12  ILE  25          HG12      ILE  25   1.055 -24.245   2.852
  276   HG13  ILE  25          HG13      ILE  25   1.315 -22.958   1.672
  277   HG21  ILE  25          HG21      ILE  25   2.673 -24.559   4.743
  278   HG22  ILE  25          HG22      ILE  25   3.904 -25.036   3.558
  279   HG23  ILE  25          HG23      ILE  25   4.250 -23.749   4.712
  280   HD11  ILE  25          HD11      ILE  25   3.086 -24.319   0.572
  281   HD12  ILE  25          HD12      ILE  25   2.724 -25.654   1.694
  282   HD13  ILE  25          HD13      ILE  25   1.488 -25.092   0.560
  283    HA   PRO  26           HA       PRO  26   3.366 -18.048   2.444
  284    HB2  PRO  26           HB2      PRO  26   6.029 -17.804   1.829
  285    HB3  PRO  26           HB3      PRO  26   5.403 -17.700   3.502
  286    HG2  PRO  26           HG2      PRO  26   6.568 -20.137   2.122
  287    HG3  PRO  26           HG3      PRO  26   7.002 -19.454   3.725
  288    HD2  PRO  26           HD2      PRO  26   5.255 -21.503   3.518
  289    HD3  PRO  26           HD3      PRO  26   4.964 -20.187   4.692
  290    H    ALA  27           H        ALA  27   3.229 -17.178   0.428
  291    HA   ALA  27           HA       ALA  27   3.232 -18.758  -1.966
  292    HB1  ALA  27           HB1      ALA  27   1.874 -16.721  -1.639
  293    HB2  ALA  27           HB2      ALA  27   3.350 -15.735  -1.549
  294    HB3  ALA  27           HB3      ALA  27   2.922 -16.561  -3.063
  295    H    SER  28           H        SER  28   4.635 -18.522  -3.835
  296    HA   SER  28           HA       SER  28   7.413 -18.774  -3.155
  297    HB2  SER  28           HB2      SER  28   7.795 -19.093  -5.554
  298    HB3  SER  28           HB3      SER  28   6.516 -20.129  -4.912
  299    HG   SER  28           HG       SER  28   5.012 -19.009  -5.999
  300    H    GLU  29           H        GLU  29   9.193 -17.563  -3.625
  301    HA   GLU  29           HA       GLU  29   8.801 -14.672  -3.603
  302    HB2  GLU  29           HB2      GLU  29  10.359 -15.979  -2.091
  303    HB3  GLU  29           HB3      GLU  29  11.361 -16.302  -3.491
  304    HG2  GLU  29           HG2      GLU  29  12.404 -14.513  -2.413
  305    HG3  GLU  29           HG3      GLU  29  11.592 -13.752  -3.774
  306    H    GLN  30           H        GLN  30   7.822 -14.850  -5.856
  307    HA   GLN  30           HA       GLN  30   9.478 -15.333  -8.139
  308    HB2  GLN  30           HB2      GLN  30   6.887 -13.757  -7.873
  309    HB3  GLN  30           HB3      GLN  30   7.637 -14.195  -9.407
  310    HG2  GLN  30           HG2      GLN  30   6.598 -16.141  -7.304
  311    HG3  GLN  30           HG3      GLN  30   5.814 -15.745  -8.825
  312   HE21  GLN  30          HE21      GLN  30   6.790 -18.387  -7.794
  313   HE22  GLN  30          HE22      GLN  30   7.869 -18.965  -9.070
  314    H    GLU  31           H        GLU  31  10.767 -14.132  -9.358
  315    HA   GLU  31           HA       GLU  31  11.628 -11.498  -8.388
  316    HB2  GLU  31           HB2      GLU  31  12.656 -13.290 -10.618
  317    HB3  GLU  31           HB3      GLU  31  13.404 -11.769 -10.098
  318    HG2  GLU  31           HG2      GLU  31  13.648 -12.708  -7.791
  319    HG3  GLU  31           HG3      GLU  31  13.058 -14.263  -8.389
  320    H    THR  32           H        THR  32   9.208 -12.376 -10.558
  321    HA   THR  32           HA       THR  32   9.649 -10.755 -12.740
  322    HB   THR  32           HB       THR  32   6.824 -11.131 -11.908
  323    HG1  THR  32           HG1      THR  32   6.943 -13.282 -12.552
  324   HG21  THR  32          HG21      THR  32   8.322 -11.572 -14.526
  325   HG22  THR  32          HG22      THR  32   7.318 -10.160 -14.119
  326   HG23  THR  32          HG23      THR  32   6.571 -11.754 -14.280
  327    H    LEU  33           H        LEU  33   9.437  -8.749 -13.399
  328    HA   LEU  33           HA       LEU  33   8.858  -6.678 -11.392
  329    HB2  LEU  33           HB2      LEU  33   9.858  -6.461 -14.251
  330    HB3  LEU  33           HB3      LEU  33   9.736  -5.130 -13.104
  331    HG   LEU  33           HG       LEU  33  11.536  -7.579 -12.768
  332   HD11  LEU  33          HD11      LEU  33  13.368  -6.015 -13.250
  333   HD12  LEU  33          HD12      LEU  33  12.193  -4.714 -13.544
  334   HD13  LEU  33          HD13      LEU  33  12.245  -6.129 -14.615
  335   HD21  LEU  33          HD21      LEU  33  12.608  -6.259 -10.968
  336   HD22  LEU  33          HD22      LEU  33  10.932  -6.637 -10.576
  337   HD23  LEU  33          HD23      LEU  33  11.363  -5.004 -11.139
  338    H    VAL  34           H        VAL  34   7.060  -5.585 -11.205
  339    HA   VAL  34           HA       VAL  34   4.774  -6.360 -12.830
  340    HB   VAL  34           HB       VAL  34   3.401  -5.404 -11.194
  341   HG11  VAL  34          HG11      VAL  34   4.586  -7.423 -10.459
  342   HG12  VAL  34          HG12      VAL  34   5.864  -6.414  -9.748
  343   HG13  VAL  34          HG13      VAL  34   4.230  -6.318  -9.104
  344   HG21  VAL  34          HG21      VAL  34   5.810  -3.877 -10.117
  345   HG22  VAL  34          HG22      VAL  34   4.347  -3.182 -10.853
  346   HG23  VAL  34          HG23      VAL  34   4.250  -4.003  -9.300
  347    H    ARG  35           H        ARG  35   6.777  -3.612 -12.773
  348    HA   ARG  35           HA       ARG  35   6.776  -1.541 -13.619
  349    HB2  ARG  35           HB2      ARG  35   5.020  -2.763 -15.779
  350    HB3  ARG  35           HB3      ARG  35   5.642  -1.125 -15.829
  351    HG2  ARG  35           HG2      ARG  35   7.015  -2.469 -17.199
  352    HG3  ARG  35           HG3      ARG  35   7.968  -1.961 -15.807
  353    HD2  ARG  35           HD2      ARG  35   7.857  -4.185 -14.838
  354    HD3  ARG  35           HD3      ARG  35   6.628  -4.684 -16.020
  355    HE   ARG  35           HE       ARG  35   9.143  -3.791 -17.216
  356   HH11  ARG  35          HH11      ARG  35   7.624  -6.664 -15.857
  357   HH12  ARG  35          HH12      ARG  35   8.459  -7.715 -16.972
  358   HH21  ARG  35          HH21      ARG  35  10.234  -5.213 -18.512
  359   HH22  ARG  35          HH22      ARG  35   9.946  -6.921 -18.370
  360    HA   PRO  36           HA       PRO  36   2.858  -0.373 -11.517
  361    HB2  PRO  36           HB2      PRO  36   3.905   1.046  -9.429
  362    HB3  PRO  36           HB3      PRO  36   3.730  -0.734  -9.436
  363    HG2  PRO  36           HG2      PRO  36   6.203   0.910  -9.888
  364    HG3  PRO  36           HG3      PRO  36   6.002  -0.669  -9.053
  365    HD2  PRO  36           HD2      PRO  36   6.894  -0.291 -11.700
  366    HD3  PRO  36           HD3      PRO  36   6.280  -1.820 -11.022
  367    H    LYS  37           H        LYS  37   1.825   1.693 -11.273
  368    HA   LYS  37           HA       LYS  37   2.412   3.708 -13.185
  369    HB2  LYS  37           HB2      LYS  37   0.784   3.758 -10.615
  370    HB3  LYS  37           HB3      LYS  37   0.770   5.080 -11.783
  371    HG2  LYS  37           HG2      LYS  37  -0.303   3.787 -13.460
  372    HG3  LYS  37           HG3      LYS  37   0.093   2.262 -12.683
  373    HD2  LYS  37           HD2      LYS  37  -2.242   2.644 -12.293
  374    HD3  LYS  37           HD3      LYS  37  -1.373   2.824 -10.768
  375    HE2  LYS  37           HE2      LYS  37  -2.952   4.549 -10.761
  376    HE3  LYS  37           HE3      LYS  37  -1.403   5.322 -11.106
  377    HZ1  LYS  37           HZ1      LYS  37  -3.116   6.151 -12.608
  378    HZ2  LYS  37           HZ2      LYS  37  -3.501   4.650 -13.112
  379    HZ3  LYS  37           HZ3      LYS  37  -2.058   5.292 -13.516
  380    HA   PRO  38           HA       PRO  38   5.615   6.163 -11.306
  381    HB2  PRO  38           HB2      PRO  38   5.031   8.713 -12.179
  382    HB3  PRO  38           HB3      PRO  38   5.734   7.429 -13.206
  383    HG2  PRO  38           HG2      PRO  38   2.817   8.232 -12.972
  384    HG3  PRO  38           HG3      PRO  38   3.781   7.975 -14.462
  385    HD2  PRO  38           HD2      PRO  38   2.170   6.033 -13.495
  386    HD3  PRO  38           HD3      PRO  38   3.774   5.621 -14.173
  387    H    LEU  39           H        LEU  39   2.244   7.231 -10.845
  388    HA   LEU  39           HA       LEU  39   2.628   8.841  -8.529
  389    HB2  LEU  39           HB2      LEU  39   0.608   8.825  -9.964
  390    HB3  LEU  39           HB3      LEU  39   0.253   7.175  -9.457
  391    HG   LEU  39           HG       LEU  39  -0.071   7.984  -7.110
  392   HD11  LEU  39          HD11      LEU  39   1.289  10.024  -7.124
  393   HD12  LEU  39          HD12      LEU  39  -0.392  10.432  -6.758
  394   HD13  LEU  39          HD13      LEU  39   0.252  10.737  -8.386
  395   HD21  LEU  39          HD21      LEU  39  -2.230   9.047  -7.519
  396   HD22  LEU  39          HD22      LEU  39  -1.972   7.737  -8.680
  397   HD23  LEU  39          HD23      LEU  39  -1.760   9.426  -9.192
  398    H    LEU  40           H        LEU  40   2.121   5.307  -8.854
  399    HA   LEU  40           HA       LEU  40   2.098   4.800  -5.997
  400    HB2  LEU  40           HB2      LEU  40   1.018   3.272  -7.583
  401    HB3  LEU  40           HB3      LEU  40   2.540   2.982  -8.404
  402    HG   LEU  40           HG       LEU  40   3.473   1.828  -6.477
  403   HD11  LEU  40          HD11      LEU  40   2.047   1.326  -4.479
  404   HD12  LEU  40          HD12      LEU  40   0.838   2.485  -5.084
  405   HD13  LEU  40          HD13      LEU  40   2.457   3.037  -4.596
  406   HD21  LEU  40          HD21      LEU  40   1.947   0.599  -8.075
  407   HD22  LEU  40          HD22      LEU  40   0.631   0.856  -6.909
  408   HD23  LEU  40          HD23      LEU  40   2.032  -0.109  -6.452
  409    H    LEU  41           H        LEU  41   4.563   4.533  -8.586
  410    HA   LEU  41           HA       LEU  41   6.709   3.615  -7.036
  411    HB2  LEU  41           HB2      LEU  41   6.845   3.729  -9.428
  412    HB3  LEU  41           HB3      LEU  41   6.628   5.478  -9.419
  413    HG   LEU  41           HG       LEU  41   8.801   5.825  -8.381
  414   HD11  LEU  41          HD11      LEU  41   9.057   2.791  -8.494
  415   HD12  LEU  41          HD12      LEU  41   9.117   3.807  -7.029
  416   HD13  LEU  41          HD13      LEU  41  10.418   3.900  -8.207
  417   HD21  LEU  41          HD21      LEU  41   8.628   5.701 -10.839
  418   HD22  LEU  41          HD22      LEU  41   8.955   3.955 -10.780
  419   HD23  LEU  41          HD23      LEU  41  10.200   5.119 -10.270
  420    H    LYS  42           H        LYS  42   5.704   7.056  -7.474
  421    HA   LYS  42           HA       LYS  42   7.719   8.274  -5.914
  422    HB2  LYS  42           HB2      LYS  42   6.112   9.446  -7.369
  423    HB3  LYS  42           HB3      LYS  42   4.779   9.017  -6.295
  424    HG2  LYS  42           HG2      LYS  42   5.737  10.409  -4.490
  425    HG3  LYS  42           HG3      LYS  42   7.153  10.752  -5.494
  426    HD2  LYS  42           HD2      LYS  42   5.668  12.650  -5.529
  427    HD3  LYS  42           HD3      LYS  42   5.688  11.912  -7.139
  428    HE2  LYS  42           HE2      LYS  42   3.531  10.781  -6.645
  429    HE3  LYS  42           HE3      LYS  42   3.538  11.461  -5.012
  430    HZ1  LYS  42           HZ1      LYS  42   3.429  13.685  -6.010
  431    HZ2  LYS  42           HZ2      LYS  42   2.163  12.792  -6.518
  432    HZ3  LYS  42           HZ3      LYS  42   3.424  13.060  -7.519
  433    H    LEU  43           H        LEU  43   4.725   6.717  -4.773
  434    HA   LEU  43           HA       LEU  43   4.972   7.473  -1.998
  435    HB2  LEU  43           HB2      LEU  43   2.907   6.720  -3.032
  436    HB3  LEU  43           HB3      LEU  43   3.559   5.121  -3.324
  437    HG   LEU  43           HG       LEU  43   3.411   6.189  -0.507
  438   HD11  LEU  43          HD11      LEU  43   1.172   4.814  -2.051
  439   HD12  LEU  43          HD12      LEU  43   1.171   6.494  -1.467
  440   HD13  LEU  43          HD13      LEU  43   1.177   5.164  -0.308
  441   HD21  LEU  43          HD21      LEU  43   3.257   3.384  -1.720
  442   HD22  LEU  43          HD22      LEU  43   3.049   3.767   0.002
  443   HD23  LEU  43          HD23      LEU  43   4.602   4.035  -0.763
  444    H    LEU  44           H        LEU  44   6.345   4.779  -3.895
  445    HA   LEU  44           HA       LEU  44   7.718   3.549  -1.650
  446    HB2  LEU  44           HB2      LEU  44   8.720   3.298  -4.470
  447    HB3  LEU  44           HB3      LEU  44   8.727   2.114  -3.174
  448    HG   LEU  44           HG       LEU  44   6.300   2.981  -4.780
  449   HD11  LEU  44          HD11      LEU  44   7.901   0.407  -4.886
  450   HD12  LEU  44          HD12      LEU  44   7.904   1.691  -6.108
  451   HD13  LEU  44          HD13      LEU  44   6.421   0.770  -5.807
  452   HD21  LEU  44          HD21      LEU  44   5.038   1.271  -3.737
  453   HD22  LEU  44          HD22      LEU  44   5.813   2.140  -2.403
  454   HD23  LEU  44          HD23      LEU  44   6.466   0.581  -2.959
  455    H    LYS  45           H        LYS  45   8.700   5.978  -4.131
  456    HA   LYS  45           HA       LYS  45  11.396   6.329  -3.264
  457    HB2  LYS  45           HB2      LYS  45   9.613   8.586  -4.252
  458    HB3  LYS  45           HB3      LYS  45  11.359   8.521  -4.309
  459    HG2  LYS  45           HG2      LYS  45   9.422   6.854  -5.915
  460    HG3  LYS  45           HG3      LYS  45  10.362   8.192  -6.501
  461    HD2  LYS  45           HD2      LYS  45  11.575   5.563  -5.534
  462    HD3  LYS  45           HD3      LYS  45  11.066   5.908  -7.182
  463    HE2  LYS  45           HE2      LYS  45  13.259   6.430  -7.380
  464    HE3  LYS  45           HE3      LYS  45  12.534   8.014  -7.059
  465    HZ1  LYS  45           HZ1      LYS  45  13.285   7.794  -4.740
  466    HZ2  LYS  45           HZ2      LYS  45  14.564   7.573  -5.728
  467    HZ3  LYS  45           HZ3      LYS  45  13.853   6.277  -5.028
  468    H    SER  46           H        SER  46   8.426   7.680  -1.935
  469    HA   SER  46           HA       SER  46   9.567   9.566  -0.120
  470    HB2  SER  46           HB2      SER  46   6.960   8.014   0.103
  471    HB3  SER  46           HB3      SER  46   7.402   9.440   1.052
  472    HG   SER  46           HG       SER  46   7.139   9.308  -1.787
  473    H    VAL  47           H        VAL  47   9.513   6.104   0.083
  474    HA   VAL  47           HA       VAL  47  10.723   6.235   2.821
  475    HB   VAL  47           HB       VAL  47  10.099   3.875   3.119
  476   HG11  VAL  47          HG11      VAL  47   8.711   5.668   4.051
  477   HG12  VAL  47          HG12      VAL  47   7.748   5.708   2.562
  478   HG13  VAL  47          HG13      VAL  47   7.742   4.260   3.585
  479   HG21  VAL  47          HG21      VAL  47   8.493   2.766   1.712
  480   HG22  VAL  47          HG22      VAL  47   8.313   4.193   0.674
  481   HG23  VAL  47          HG23      VAL  47   9.837   3.289   0.673
  482    H    GLY  48           H        GLY  48  11.910   6.599   0.030
  483    HA2  GLY  48           HA2      GLY  48  14.124   6.495  -0.527
  484    HA3  GLY  48           HA3      GLY  48  14.422   5.389   0.811
  485    H    ALA  49           H        ALA  49  12.020   4.471  -1.657
  486    HA   ALA  49           HA       ALA  49  13.430   2.089  -2.339
  487    HB1  ALA  49           HB1      ALA  49  11.204   3.472  -3.887
  488    HB2  ALA  49           HB2      ALA  49  11.551   1.724  -3.773
  489    HB3  ALA  49           HB3      ALA  49  10.952   2.561  -2.370
  490    H    GLN  50           H        GLN  50  14.946   1.661  -3.894
  491    HA   GLN  50           HA       GLN  50  16.228   4.004  -5.132
  492    HB2  GLN  50           HB2      GLN  50  17.158   1.133  -4.774
  493    HB3  GLN  50           HB3      GLN  50  18.129   2.453  -5.442
  494    HG2  GLN  50           HG2      GLN  50  17.849   3.722  -3.302
  495    HG3  GLN  50           HG3      GLN  50  16.980   2.347  -2.617
  496   HE21  GLN  50          HE21      GLN  50  19.001   2.964  -1.091
  497   HE22  GLN  50          HE22      GLN  50  20.397   1.930  -1.374
  498    H    LYS  51           H        LYS  51  14.766   1.008  -6.338
  499    HA   LYS  51           HA       LYS  51  15.665   1.373  -9.126
  500    HB2  LYS  51           HB2      LYS  51  13.580  -0.541  -8.009
  501    HB3  LYS  51           HB3      LYS  51  14.371  -0.636  -9.575
  502    HG2  LYS  51           HG2      LYS  51  16.553  -1.041  -8.436
  503    HG3  LYS  51           HG3      LYS  51  15.722  -1.065  -6.873
  504    HD2  LYS  51           HD2      LYS  51  15.127  -2.945  -9.200
  505    HD3  LYS  51           HD3      LYS  51  16.153  -3.339  -7.814
  506    HE2  LYS  51           HE2      LYS  51  14.252  -3.064  -6.273
  507    HE3  LYS  51           HE3      LYS  51  13.207  -2.573  -7.611
  508    HZ1  LYS  51           HZ1      LYS  51  13.514  -4.772  -8.586
  509    HZ2  LYS  51           HZ2      LYS  51  12.881  -4.908  -7.083
  510    HZ3  LYS  51           HZ3      LYS  51  14.457  -5.247  -7.327
  511    H    ASP  52           H        ASP  52  14.008   1.285 -10.872
  512    HA   ASP  52           HA       ASP  52  11.587   2.897 -10.300
  513    HB2  ASP  52           HB2      ASP  52  11.529   3.360 -12.757
  514    HB3  ASP  52           HB3      ASP  52  12.773   4.124 -11.788
  515    H    THR  53           H        THR  53  12.312  -0.278 -10.614
  516    HA   THR  53           HA       THR  53   9.496  -1.021 -11.273
  517    HB   THR  53           HB       THR  53  10.635  -3.094 -12.424
  518    HG1  THR  53           HG1      THR  53  12.510  -2.443 -13.619
  519   HG21  THR  53          HG21      THR  53   9.163  -1.531 -13.594
  520   HG22  THR  53          HG22      THR  53  10.493  -2.078 -14.624
  521   HG23  THR  53          HG23      THR  53  10.540  -0.447 -13.907
  522    H    TYR  54           H        TYR  54   8.878  -2.917 -10.252
  523    HA   TYR  54           HA       TYR  54  10.624  -4.155  -8.213
  524    HB2  TYR  54           HB2      TYR  54   8.109  -2.543  -7.678
  525    HB3  TYR  54           HB3      TYR  54   8.846  -3.609  -6.497
  526    HD1  TYR  54           HD2      TYR  54  11.195  -3.155  -5.664
  527    HD2  TYR  54           HD1      TYR  54   8.956  -0.330  -8.035
  528    HE1  TYR  54           HE2      TYR  54  12.784  -1.343  -5.013
  529    HE2  TYR  54           HE1      TYR  54  10.560   1.463  -7.385
  530    HH   TYR  54           HH       TYR  54  12.577   1.885  -6.458
  531    H    THR  55           H        THR  55   9.653  -5.968  -7.074
  532    HA   THR  55           HA       THR  55   7.636  -7.452  -8.630
  533    HB   THR  55           HB       THR  55   8.068  -9.353  -7.502
  534    HG1  THR  55           HG1      THR  55   9.040  -9.405  -5.458
  535   HG21  THR  55          HG21      THR  55  10.745  -7.956  -7.125
  536   HG22  THR  55          HG22      THR  55  10.158  -8.614  -8.667
  537   HG23  THR  55          HG23      THR  55  10.448  -9.692  -7.288
  538    H    MET  56           H        MET  56   5.630  -8.426  -7.587
  539    HA   MET  56           HA       MET  56   4.036  -6.496  -6.286
  540    HB2  MET  56           HB2      MET  56   3.781  -9.540  -6.158
  541    HB3  MET  56           HB3      MET  56   2.542  -8.367  -5.687
  542    HG2  MET  56           HG2      MET  56   2.758  -7.419  -8.055
  543    HG3  MET  56           HG3      MET  56   3.625  -8.884  -8.471
  544    HE1  MET  56           HE1      MET  56   0.398  -7.296  -7.172
  545    HE2  MET  56           HE2      MET  56   0.697  -7.147  -8.914
  546    HE3  MET  56           HE3      MET  56  -0.736  -8.048  -8.334
  547    H    LYS  57           H        LYS  57   6.106  -9.003  -4.800
  548    HA   LYS  57           HA       LYS  57   5.318  -8.486  -2.066
  549    HB2  LYS  57           HB2      LYS  57   6.314 -10.582  -2.814
  550    HB3  LYS  57           HB3      LYS  57   7.815  -9.779  -3.259
  551    HG2  LYS  57           HG2      LYS  57   6.786  -9.605  -0.412
  552    HG3  LYS  57           HG3      LYS  57   7.545 -11.086  -0.997
  553    HD2  LYS  57           HD2      LYS  57   9.596  -9.743  -1.615
  554    HD3  LYS  57           HD3      LYS  57   8.844  -8.329  -0.870
  555    HE2  LYS  57           HE2      LYS  57  10.331  -9.250   0.737
  556    HE3  LYS  57           HE3      LYS  57   8.683  -9.565   1.293
  557    HZ1  LYS  57           HZ1      LYS  57   8.925 -11.849   0.430
  558    HZ2  LYS  57           HZ2      LYS  57  10.132 -11.534   1.495
  559    HZ3  LYS  57           HZ3      LYS  57  10.413 -11.539  -0.124
  560    H    GLU  58           H        GLU  58   7.967  -7.211  -4.110
  561    HA   GLU  58           HA       GLU  58   9.157  -5.573  -2.061
  562    HB2  GLU  58           HB2      GLU  58   9.157  -5.408  -5.082
  563    HB3  GLU  58           HB3      GLU  58  10.069  -4.300  -4.048
  564    HG2  GLU  58           HG2      GLU  58  11.354  -6.137  -3.101
  565    HG3  GLU  58           HG3      GLU  58  10.430  -7.320  -4.029
  566    H    VAL  59           H        VAL  59   6.643  -4.776  -4.528
  567    HA   VAL  59           HA       VAL  59   6.312  -2.039  -3.696
  568    HB   VAL  59           HB       VAL  59   4.276  -3.884  -5.004
  569   HG11  VAL  59          HG11      VAL  59   4.326  -0.837  -4.898
  570   HG12  VAL  59          HG12      VAL  59   3.130  -1.878  -5.709
  571   HG13  VAL  59          HG13      VAL  59   3.235  -1.860  -3.950
  572   HG21  VAL  59          HG21      VAL  59   6.149  -1.794  -6.219
  573   HG22  VAL  59          HG22      VAL  59   6.303  -3.544  -6.415
  574   HG23  VAL  59          HG23      VAL  59   4.907  -2.715  -7.097
  575    H    LEU  60           H        LEU  60   4.454  -5.009  -2.721
  576    HA   LEU  60           HA       LEU  60   2.851  -3.745  -0.746
  577    HB2  LEU  60           HB2      LEU  60   3.951  -6.564  -1.020
  578    HB3  LEU  60           HB3      LEU  60   2.914  -6.111   0.324
  579    HG   LEU  60           HG       LEU  60   2.048  -5.777  -2.579
  580   HD11  LEU  60          HD11      LEU  60   1.443  -8.042  -0.633
  581   HD12  LEU  60          HD12      LEU  60   2.489  -8.163  -2.067
  582   HD13  LEU  60          HD13      LEU  60   0.760  -7.846  -2.262
  583   HD21  LEU  60          HD21      LEU  60   0.748  -4.403  -1.012
  584   HD22  LEU  60          HD22      LEU  60   0.525  -5.795   0.067
  585   HD23  LEU  60          HD23      LEU  60  -0.228  -5.776  -1.540
  586    H    PHE  61           H        PHE  61   6.176  -5.110  -0.380
  587    HA   PHE  61           HA       PHE  61   6.442  -4.486   2.359
  588    HB2  PHE  61           HB2      PHE  61   8.027  -5.944   1.582
  589    HB3  PHE  61           HB3      PHE  61   8.404  -4.969   0.175
  590    HD1  PHE  61           HD2      PHE  61   8.895  -5.201   3.860
  591    HD2  PHE  61           HD1      PHE  61  10.070  -3.240   0.198
  592    HE1  PHE  61           HE2      PHE  61  10.804  -4.132   5.040
  593    HE2  PHE  61           HE1      PHE  61  11.976  -2.177   1.381
  594    HZ   PHE  61           HZ       PHE  61  12.344  -2.618   3.804
  595    H    TYR  62           H        TYR  62   7.510  -2.392  -0.333
  596    HA   TYR  62           HA       TYR  62   8.171  -0.214   1.373
  597    HB2  TYR  62           HB2      TYR  62   7.630  -0.447  -1.550
  598    HB3  TYR  62           HB3      TYR  62   7.929   1.127  -0.812
  599    HD1  TYR  62           HD1      TYR  62  10.126   1.059   0.872
  600    HD2  TYR  62           HD2      TYR  62   9.444  -1.391  -2.611
  601    HE1  TYR  62           HE1      TYR  62  12.581   0.834   0.546
  602    HE2  TYR  62           HE2      TYR  62  11.878  -1.667  -2.897
  603    HH   TYR  62           HH       TYR  62  13.980  -1.200  -2.051
  604    H    LEU  63           H        LEU  63   5.089  -0.853  -0.291
  605    HA   LEU  63           HA       LEU  63   3.762   1.535   0.518
  606    HB2  LEU  63           HB2      LEU  63   2.989   0.125  -1.297
  607    HB3  LEU  63           HB3      LEU  63   2.816  -1.258  -0.215
  608    HG   LEU  63           HG       LEU  63   0.948  -0.201   0.947
  609   HD11  LEU  63          HD11      LEU  63   1.499   2.176   0.745
  610   HD12  LEU  63          HD12      LEU  63  -0.073   1.857   0.013
  611   HD13  LEU  63          HD13      LEU  63   1.341   2.084  -1.031
  612   HD21  LEU  63          HD21      LEU  63   0.544  -1.552  -1.107
  613   HD22  LEU  63          HD22      LEU  63   0.630  -0.071  -2.081
  614   HD23  LEU  63          HD23      LEU  63  -0.666  -0.280  -0.890
  615    H    GLY  64           H        GLY  64   3.977  -1.697   2.091
  616    HA2  GLY  64           HA2      GLY  64   2.383  -1.128   4.381
  617    HA3  GLY  64           HA3      GLY  64   3.684  -2.323   4.274
  618    H    GLN  65           H        GLN  65   5.991  -0.682   3.870
  619    HA   GLN  65           HA       GLN  65   6.552   0.356   6.433
  620    HB2  GLN  65           HB2      GLN  65   8.222  -0.649   5.127
  621    HB3  GLN  65           HB3      GLN  65   7.707   0.168   3.663
  622    HG2  GLN  65           HG2      GLN  65   9.705   1.008   4.121
  623    HG3  GLN  65           HG3      GLN  65   8.576   2.295   4.511
  624   HE21  GLN  65          HE21      GLN  65   8.021   2.477   6.991
  625   HE22  GLN  65          HE22      GLN  65   9.307   2.041   8.118
  626    H    TYR  66           H        TYR  66   5.334   1.912   3.427
  627    HA   TYR  66           HA       TYR  66   5.649   4.611   4.400
  628    HB2  TYR  66           HB2      TYR  66   5.545   4.157   2.040
  629    HB3  TYR  66           HB3      TYR  66   3.956   3.443   2.196
  630    HD1  TYR  66           HD1      TYR  66   1.922   4.882   2.655
  631    HD2  TYR  66           HD2      TYR  66   5.836   6.532   1.894
  632    HE1  TYR  66           HE1      TYR  66   0.902   7.104   2.136
  633    HE2  TYR  66           HE2      TYR  66   4.817   8.736   1.388
  634    HH   TYR  66           HH       TYR  66   2.891   9.887   1.063
  635    H    ILE  67           H        ILE  67   2.809   2.436   4.275
  636    HA   ILE  67           HA       ILE  67   0.981   4.104   5.674
  637    HB   ILE  67           HB       ILE  67   1.212   1.078   5.503
  638   HG12  ILE  67          HG12      ILE  67  -0.784   2.850   4.055
  639   HG13  ILE  67          HG13      ILE  67   0.806   2.541   3.369
  640   HG21  ILE  67          HG21      ILE  67  -0.175   1.579   7.455
  641   HG22  ILE  67          HG22      ILE  67  -1.097   2.782   6.532
  642   HG23  ILE  67          HG23      ILE  67  -1.231   1.066   6.147
  643   HD11  ILE  67          HD11      ILE  67   0.375   0.097   3.400
  644   HD12  ILE  67          HD12      ILE  67  -1.269   0.405   4.005
  645   HD13  ILE  67          HD13      ILE  67  -0.788   0.997   2.409
  646    H    MET  68           H        MET  68   3.319   1.719   6.930
  647    HA   MET  68           HA       MET  68   2.761   1.968   9.691
  648    HB2  MET  68           HB2      MET  68   4.091   0.166   8.705
  649    HB3  MET  68           HB3      MET  68   5.351   1.319   8.244
  650    HG2  MET  68           HG2      MET  68   5.642   1.846  10.710
  651    HG3  MET  68           HG3      MET  68   4.551   0.506  11.058
  652    HE1  MET  68           HE1      MET  68   5.132  -2.033  10.584
  653    HE2  MET  68           HE2      MET  68   5.458  -1.721   8.861
  654    HE3  MET  68           HE3      MET  68   6.644  -2.602   9.844
  655    H    THR  69           H        THR  69   5.355   3.683   7.805
  656    HA   THR  69           HA       THR  69   6.101   5.254  10.073
  657    HB   THR  69           HB       THR  69   7.548   4.629   8.102
  658    HG1  THR  69           HG1      THR  69   8.805   6.432   8.498
  659   HG21  THR  69          HG21      THR  69   6.498   7.271   6.978
  660   HG22  THR  69          HG22      THR  69   6.143   5.667   6.304
  661   HG23  THR  69          HG23      THR  69   7.807   6.262   6.327
  662    H    LYS  70           H        LYS  70   3.850   5.972   7.481
  663    HA   LYS  70           HA       LYS  70   3.249   8.692   8.362
  664    HB2  LYS  70           HB2      LYS  70   1.870   6.721   6.511
  665    HB3  LYS  70           HB3      LYS  70   1.322   8.372   6.750
  666    HG2  LYS  70           HG2      LYS  70   4.206   7.997   5.943
  667    HG3  LYS  70           HG3      LYS  70   2.988   7.591   4.752
  668    HD2  LYS  70           HD2      LYS  70   3.130  10.294   6.149
  669    HD3  LYS  70           HD3      LYS  70   3.855   9.913   4.574
  670    HE2  LYS  70           HE2      LYS  70   1.562   9.153   3.793
  671    HE3  LYS  70           HE3      LYS  70   0.888   9.812   5.284
  672    HZ1  LYS  70           HZ1      LYS  70   2.393  11.385   3.268
  673    HZ2  LYS  70           HZ2      LYS  70   1.671  12.002   4.610
  674    HZ3  LYS  70           HZ3      LYS  70   0.771  11.345   3.396
  675    H    ARG  71           H        ARG  71   2.365   5.643   9.590
  676    HA   ARG  71           HA       ARG  71   0.851   4.826  11.042
  677    HB2  ARG  71           HB2      ARG  71   0.759   7.625  12.225
  678    HB3  ARG  71           HB3      ARG  71   0.360   6.096  13.012
  679    HG2  ARG  71           HG2      ARG  71   2.832   5.416  12.481
  680    HG3  ARG  71           HG3      ARG  71   3.082   7.141  12.178
  681    HD2  ARG  71           HD2      ARG  71   3.699   6.782  14.440
  682    HD3  ARG  71           HD3      ARG  71   2.102   7.555  14.509
  683    HE   ARG  71           HE       ARG  71   1.962   4.641  14.454
  684   HH11  ARG  71          HH11      ARG  71   2.398   7.268  16.736
  685   HH12  ARG  71          HH12      ARG  71   1.874   6.284  18.077
  686   HH21  ARG  71          HH21      ARG  71   1.381   3.470  16.130
  687   HH22  ARG  71          HH22      ARG  71   1.295   4.153  17.739
  688    H    LEU  72           H        LEU  72  -0.312   5.194   8.691
  689    HA   LEU  72           HA       LEU  72  -2.753   6.788   8.854
  690    HB2  LEU  72           HB2      LEU  72  -1.949   4.704   6.806
  691    HB3  LEU  72           HB3      LEU  72  -3.255   5.865   6.628
  692    HG   LEU  72           HG       LEU  72  -0.308   6.565   6.887
  693   HD11  LEU  72          HD11      LEU  72  -0.430   7.148   4.509
  694   HD12  LEU  72          HD12      LEU  72  -2.117   6.597   4.448
  695   HD13  LEU  72          HD13      LEU  72  -0.803   5.439   4.768
  696   HD21  LEU  72          HD21      LEU  72  -1.686   8.383   7.720
  697   HD22  LEU  72          HD22      LEU  72  -2.755   8.271   6.299
  698   HD23  LEU  72          HD23      LEU  72  -1.075   8.826   6.120
  699    H    TYR  73           H        TYR  73  -2.090   3.773  10.183
  700    HA   TYR  73           HA       TYR  73  -4.696   2.594   9.888
  701    HB2  TYR  73           HB2      TYR  73  -4.016   1.190  11.875
  702    HB3  TYR  73           HB3      TYR  73  -3.125   1.032  10.373
  703    HD1  TYR  73           HD1      TYR  73  -3.008   2.562  13.768
  704    HD2  TYR  73           HD2      TYR  73  -0.752   1.450  10.259
  705    HE1  TYR  73           HE1      TYR  73  -0.886   3.052  14.975
  706    HE2  TYR  73           HE2      TYR  73   1.367   1.931  11.478
  707    HH   TYR  73           HH       TYR  73   2.317   2.507  13.475
  708    H    ASP  74           H        ASP  74  -6.454   2.370  11.340
  709    HA   ASP  74           HA       ASP  74  -7.081   4.693  12.964
  710    HB2  ASP  74           HB2      ASP  74  -8.869   3.363  12.002
  711    HB3  ASP  74           HB3      ASP  74  -8.332   1.946  12.876
  712    H    GLU  75           H        GLU  75  -7.165   4.857  15.308
  713    HA   GLU  75           HA       GLU  75  -4.942   3.552  16.659
  714    HB2  GLU  75           HB2      GLU  75  -5.508   4.853  18.549
  715    HB3  GLU  75           HB3      GLU  75  -5.748   5.882  17.132
  716    HG2  GLU  75           HG2      GLU  75  -8.221   5.371  17.278
  717    HG3  GLU  75           HG3      GLU  75  -7.892   4.455  18.756
  718    H    LYS  76           H        LYS  76  -8.432   2.978  16.534
  719    HA   LYS  76           HA       LYS  76  -8.374   0.982  18.709
  720    HB2  LYS  76           HB2      LYS  76 -10.793   1.635  16.990
  721    HB3  LYS  76           HB3      LYS  76 -10.726   0.974  18.618
  722    HG2  LYS  76           HG2      LYS  76  -9.760   3.212  19.367
  723    HG3  LYS  76           HG3      LYS  76 -10.111   3.820  17.732
  724    HD2  LYS  76           HD2      LYS  76 -12.523   3.053  18.118
  725    HD3  LYS  76           HD3      LYS  76 -12.095   2.845  19.817
  726    HE2  LYS  76           HE2      LYS  76 -11.990   5.430  18.185
  727    HE3  LYS  76           HE3      LYS  76 -13.195   4.999  19.396
  728    HZ1  LYS  76           HZ1      LYS  76 -11.672   6.412  20.463
  729    HZ2  LYS  76           HZ2      LYS  76 -10.351   5.703  19.870
  730    HZ3  LYS  76           HZ3      LYS  76 -11.257   4.937  21.020
  731    H    GLN  77           H        GLN  77  -9.469   0.963  15.288
  732    HA   GLN  77           HA       GLN  77  -8.994  -1.989  15.153
  733    HB2  GLN  77           HB2      GLN  77 -10.429  -0.139  13.207
  734    HB3  GLN  77           HB3      GLN  77 -10.265  -1.889  13.071
  735    HG2  GLN  77           HG2      GLN  77 -11.896  -0.320  15.079
  736    HG3  GLN  77           HG3      GLN  77 -12.459  -1.459  13.854
  737   HE21  GLN  77          HE21      GLN  77 -11.153  -3.817  14.224
  738   HE22  GLN  77          HE22      GLN  77 -11.270  -4.329  15.902
  739    H    GLN  78           H        GLN  78  -6.662  -1.705  15.224
  740    HA   GLN  78           HA       GLN  78  -5.283  -0.030  13.356
  741    HB2  GLN  78           HB2      GLN  78  -4.389  -2.330  15.100
  742    HB3  GLN  78           HB3      GLN  78  -3.256  -1.356  14.145
  743    HG2  GLN  78           HG2      GLN  78  -3.731   0.631  15.370
  744    HG3  GLN  78           HG3      GLN  78  -5.208  -0.032  16.063
  745   HE21  GLN  78          HE21      GLN  78  -4.518   0.549  18.190
  746   HE22  GLN  78          HE22      GLN  78  -3.261  -0.402  18.991
  747    H    HIS  79           H        HIS  79  -6.769  -3.027  12.811
  748    HA   HIS  79           HA       HIS  79  -5.241  -3.778  10.436
  749    HB2  HIS  79           HB2      HIS  79  -6.847  -5.528  10.238
  750    HB3  HIS  79           HB3      HIS  79  -6.434  -5.369  11.946
  751    HD1  HIS  79           HD1      HIS  79  -9.367  -4.502   9.548
  752    HD2  HIS  79           HD2      HIS  79  -8.424  -5.022  13.625
  753    HE1  HIS  79           HE1      HIS  79 -11.579  -4.436  10.814
  754    H    ILE  80           H        ILE  80  -7.360  -1.179  10.980
  755    HA   ILE  80           HA       ILE  80  -8.245  -1.108   8.128
  756    HB   ILE  80           HB       ILE  80  -9.324   0.500  10.466
  757   HG12  ILE  80          HG12      ILE  80 -10.435  -1.976   9.077
  758   HG13  ILE  80          HG13      ILE  80  -9.917  -1.836  10.757
  759   HG21  ILE  80          HG21      ILE  80 -10.375   0.214   7.615
  760   HG22  ILE  80          HG22      ILE  80 -11.065   1.224   8.898
  761   HG23  ILE  80          HG23      ILE  80  -9.499   1.631   8.231
  762   HD11  ILE  80          HD11      ILE  80 -11.772  -0.171  11.139
  763   HD12  ILE  80          HD12      ILE  80 -12.378  -0.575   9.514
  764   HD13  ILE  80          HD13      ILE  80 -12.293  -1.826  10.761
  765    H    VAL  81           H        VAL  81  -7.347   0.285   6.804
  766    HA   VAL  81           HA       VAL  81  -5.470   2.370   7.833
  767    HB   VAL  81           HB       VAL  81  -5.687   1.174   5.049
  768   HG11  VAL  81          HG11      VAL  81  -3.687   3.131   6.263
  769   HG12  VAL  81          HG12      VAL  81  -3.498   2.328   4.691
  770   HG13  VAL  81          HG13      VAL  81  -4.826   3.466   4.936
  771   HG21  VAL  81          HG21      VAL  81  -3.521   0.116   5.558
  772   HG22  VAL  81          HG22      VAL  81  -3.587   0.745   7.223
  773   HG23  VAL  81          HG23      VAL  81  -4.769  -0.454   6.663
  774    H    TYR  82           H        TYR  82  -5.949   4.448   7.634
  775    HA   TYR  82           HA       TYR  82  -8.265   5.301   6.018
  776    HB2  TYR  82           HB2      TYR  82  -7.100   6.437   8.514
  777    HB3  TYR  82           HB3      TYR  82  -8.033   7.433   7.410
  778    HD1  TYR  82           HD1      TYR  82  -8.215   4.301   9.455
  779    HD2  TYR  82           HD2      TYR  82 -10.402   7.338   7.300
  780    HE1  TYR  82           HE1      TYR  82 -10.354   3.410  10.363
  781    HE2  TYR  82           HE2      TYR  82 -12.540   6.446   8.222
  782    HH   TYR  82           HH       TYR  82 -12.637   3.640  10.449
  783    H    CYS  83           H        CYS  83  -7.589   5.477   4.024
  784    HA   CYS  83           HA       CYS  83  -5.121   6.783   3.248
  785    HB2  CYS  83           HB2      CYS  83  -7.472   6.084   1.468
  786    HB3  CYS  83           HB3      CYS  83  -5.764   6.075   1.058
  787    HG   CYS  83           HG       CYS  83  -5.085   3.986   2.384
  788    H    SER  84           H        SER  84  -8.274   7.979   3.946
  789    HA   SER  84           HA       SER  84  -8.808   9.879   2.031
  790    HB2  SER  84           HB2      SER  84 -10.320   9.189   3.873
  791    HB3  SER  84           HB3      SER  84  -9.357  10.154   5.008
  792    HG   SER  84           HG       SER  84 -11.196  11.290   4.201
  793    H    ASN  85           H        ASN  85  -8.433  11.986   1.626
  794    HA   ASN  85           HA       ASN  85  -7.240  13.854   1.299
  795    HB2  ASN  85           HB2      ASN  85  -7.211  13.882   4.333
  796    HB3  ASN  85           HB3      ASN  85  -6.861  15.270   3.311
  797   HD21  ASN  85          HD21      ASN  85  -9.096  14.719   5.292
  798   HD22  ASN  85          HD22      ASN  85 -10.534  15.111   4.358
  799    H    ASP  86           H        ASP  86  -5.584  11.346   1.471
  800    HA   ASP  86           HA       ASP  86  -2.918  12.668   1.601
  801    HB2  ASP  86           HB2      ASP  86  -3.150  11.404   3.622
  802    HB3  ASP  86           HB3      ASP  86  -3.718   9.985   2.740
  803    H    LEU  87           H        LEU  87  -1.181  11.459   0.413
  804    HA   LEU  87           HA       LEU  87  -1.699  10.975  -2.333
  805    HB2  LEU  87           HB2      LEU  87   0.496  11.492  -1.497
  806    HB3  LEU  87           HB3      LEU  87   0.492  10.068  -0.460
  807    HG   LEU  87           HG       LEU  87   0.594   8.578  -2.425
  808   HD11  LEU  87          HD11      LEU  87  -0.523   9.960  -4.142
  809   HD12  LEU  87          HD12      LEU  87   1.102   9.495  -4.659
  810   HD13  LEU  87          HD13      LEU  87   0.800  11.147  -4.061
  811   HD21  LEU  87          HD21      LEU  87   2.668   9.343  -1.383
  812   HD22  LEU  87          HD22      LEU  87   2.679  10.791  -2.415
  813   HD23  LEU  87          HD23      LEU  87   2.889   9.178  -3.133
  814    H    LEU  88           H        LEU  88  -1.719   8.644   0.438
  815    HA   LEU  88           HA       LEU  88  -1.953   6.303  -1.118
  816    HB2  LEU  88           HB2      LEU  88  -1.470   6.468   1.354
  817    HB3  LEU  88           HB3      LEU  88  -3.175   6.869   1.615
  818    HG   LEU  88           HG       LEU  88  -3.820   4.657   0.634
  819   HD11  LEU  88          HD11      LEU  88  -0.803   4.215   0.616
  820   HD12  LEU  88          HD12      LEU  88  -1.896   4.150  -0.791
  821   HD13  LEU  88          HD13      LEU  88  -2.007   2.930   0.473
  822   HD21  LEU  88          HD21      LEU  88  -3.098   3.285   2.512
  823   HD22  LEU  88          HD22      LEU  88  -3.547   4.918   3.070
  824   HD23  LEU  88          HD23      LEU  88  -1.838   4.477   2.908
  825    H    GLY  89           H        GLY  89  -4.501   8.584  -0.131
  826    HA2  GLY  89           HA2      GLY  89  -6.769   7.005  -0.984
  827    HA3  GLY  89           HA3      GLY  89  -6.723   8.750  -0.692
  828    H    ASP  90           H        ASP  90  -4.541   9.203  -2.665
  829    HA   ASP  90           HA       ASP  90  -6.111   9.326  -5.111
  830    HB2  ASP  90           HB2      ASP  90  -3.261  10.113  -4.493
  831    HB3  ASP  90           HB3      ASP  90  -3.930  10.141  -6.116
  832    H    LEU  91           H        LEU  91  -3.686   7.075  -3.894
  833    HA   LEU  91           HA       LEU  91  -3.654   5.507  -6.358
  834    HB2  LEU  91           HB2      LEU  91  -2.675   5.057  -3.507
  835    HB3  LEU  91           HB3      LEU  91  -2.692   3.768  -4.689
  836    HG   LEU  91           HG       LEU  91  -0.526   4.547  -4.638
  837   HD11  LEU  91          HD11      LEU  91  -0.071   5.277  -6.894
  838   HD12  LEU  91          HD12      LEU  91  -1.706   5.878  -7.106
  839   HD13  LEU  91          HD13      LEU  91  -1.416   4.127  -6.926
  840   HD21  LEU  91          HD21      LEU  91   0.250   6.808  -4.987
  841   HD22  LEU  91          HD22      LEU  91  -0.800   6.700  -3.573
  842   HD23  LEU  91          HD23      LEU  91  -1.422   7.399  -5.087
  843    H    PHE  92           H        PHE  92  -5.010   4.724  -3.090
  844    HA   PHE  92           HA       PHE  92  -6.400   2.519  -4.247
  845    HB2  PHE  92           HB2      PHE  92  -6.360   3.608  -1.461
  846    HB3  PHE  92           HB3      PHE  92  -7.463   2.330  -1.923
  847    HD1  PHE  92           HD1      PHE  92  -6.261   0.387  -3.451
  848    HD2  PHE  92           HD2      PHE  92  -4.466   2.754  -0.347
  849    HE1  PHE  92           HE1      PHE  92  -4.572  -1.411  -3.058
  850    HE2  PHE  92           HE2      PHE  92  -2.843   0.927   0.111
  851    HZ   PHE  92           HZ       PHE  92  -2.892  -1.149  -1.259
  852    H    GLY  93           H        GLY  93  -7.572   5.734  -4.027
  853    HA2  GLY  93           HA2      GLY  93  -9.507   6.610  -4.887
  854    HA3  GLY  93           HA3      GLY  93  -9.926   5.016  -5.521
  855    H    VAL  94           H        VAL  94  -9.393   5.237  -2.095
  856    HA   VAL  94           HA       VAL  94 -12.286   5.487  -1.439
  857    HB   VAL  94           HB       VAL  94 -11.969   3.614   0.240
  858   HG11  VAL  94          HG11      VAL  94 -11.839   2.799  -2.679
  859   HG12  VAL  94          HG12      VAL  94 -12.468   1.830  -1.329
  860   HG13  VAL  94          HG13      VAL  94 -13.291   3.332  -1.791
  861   HG21  VAL  94          HG21      VAL  94  -9.620   2.774  -1.487
  862   HG22  VAL  94          HG22      VAL  94  -9.477   3.422   0.166
  863   HG23  VAL  94          HG23      VAL  94 -10.314   1.892  -0.123
  864    HA   PRO  95           HA       PRO  95 -10.601   7.867   1.962
  865    HB2  PRO  95           HB2      PRO  95 -12.577   7.663   3.849
  866    HB3  PRO  95           HB3      PRO  95 -12.771   8.597   2.335
  867    HG2  PRO  95           HG2      PRO  95 -13.677   5.744   2.879
  868    HG3  PRO  95           HG3      PRO  95 -14.637   7.097   2.195
  869    HD2  PRO  95           HD2      PRO  95 -13.455   5.253   0.614
  870    HD3  PRO  95           HD3      PRO  95 -13.501   6.969   0.129
  871    H    SER  96           H        SER  96 -11.630   4.510   2.512
  872    HA   SER  96           HA       SER  96  -9.284   3.913   4.083
  873    HB2  SER  96           HB2      SER  96 -10.480   3.162   6.114
  874    HB3  SER  96           HB3      SER  96 -10.701   4.894   5.846
  875    HG   SER  96           HG       SER  96 -12.671   3.870   6.377
  876    H    PHE  97           H        PHE  97  -9.160   1.600   4.686
  877    HA   PHE  97           HA       PHE  97 -11.235  -0.231   3.739
  878    HB2  PHE  97           HB2      PHE  97  -9.873  -1.525   2.238
  879    HB3  PHE  97           HB3      PHE  97  -9.877   0.124   1.659
  880    HD1  PHE  97           HD1      PHE  97  -7.862  -2.556   3.174
  881    HD2  PHE  97           HD2      PHE  97  -7.794   1.488   1.702
  882    HE1  PHE  97           HE1      PHE  97  -5.380  -2.584   3.221
  883    HE2  PHE  97           HE2      PHE  97  -5.308   1.438   1.713
  884    HZ   PHE  97           HZ       PHE  97  -4.105  -0.606   2.462
  885    H    SER  98           H        SER  98 -10.932  -2.378   4.599
  886    HA   SER  98           HA       SER  98  -9.109  -2.578   6.937
  887    HB2  SER  98           HB2      SER  98 -11.440  -3.251   7.258
  888    HB3  SER  98           HB3      SER  98 -11.265  -4.467   5.976
  889    HG   SER  98           HG       SER  98 -10.920  -5.410   7.982
  890    H    VAL  99           H        VAL  99  -7.248  -3.629   6.866
  891    HA   VAL  99           HA       VAL  99  -6.073  -4.747   4.525
  892    HB   VAL  99           HB       VAL  99  -5.249  -5.139   7.382
  893   HG11  VAL  99          HG11      VAL  99  -3.667  -5.375   4.793
  894   HG12  VAL  99          HG12      VAL  99  -2.967  -5.382   6.426
  895   HG13  VAL  99          HG13      VAL  99  -4.040  -6.691   5.935
  896   HG21  VAL  99          HG21      VAL  99  -3.718  -3.243   7.028
  897   HG22  VAL  99          HG22      VAL  99  -4.361  -3.007   5.389
  898   HG23  VAL  99          HG23      VAL  99  -5.382  -2.714   6.806
  899    H    LYS 100           H        LYS 100  -8.162  -6.175   6.911
  900    HA   LYS 100           HA       LYS 100  -7.624  -8.970   6.494
  901    HB2  LYS 100           HB2      LYS 100 -10.180  -7.502   7.275
  902    HB3  LYS 100           HB3      LYS 100  -9.964  -9.251   7.352
  903    HG2  LYS 100           HG2      LYS 100  -8.202  -9.052   9.002
  904    HG3  LYS 100           HG3      LYS 100  -8.226  -7.281   8.906
  905    HD2  LYS 100           HD2      LYS 100 -10.507  -7.210   9.779
  906    HD3  LYS 100           HD3      LYS 100 -10.596  -8.984   9.796
  907    HE2  LYS 100           HE2      LYS 100  -8.826  -9.133  11.444
  908    HE3  LYS 100           HE3      LYS 100  -8.502  -7.400  11.345
  909    HZ1  LYS 100           HZ1      LYS 100 -10.635  -6.953  12.338
  910    HZ2  LYS 100           HZ2      LYS 100  -9.876  -8.039  13.287
  911    HZ3  LYS 100           HZ3      LYS 100 -11.078  -8.537  12.300
  912    H    GLU 101           H        GLU 101  -9.296  -6.653   4.455
  913    HA   GLU 101           HA       GLU 101 -10.593  -8.724   2.814
  914    HB2  GLU 101           HB2      GLU 101 -10.370  -5.727   2.334
  915    HB3  GLU 101           HB3      GLU 101 -11.312  -6.898   1.405
  916    HG2  GLU 101           HG2      GLU 101 -12.443  -7.471   3.697
  917    HG3  GLU 101           HG3      GLU 101 -11.821  -5.896   4.203
  918    H    HIS 102           H        HIS 102  -8.113  -9.557   2.858
  919    HA   HIS 102           HA       HIS 102  -6.168  -8.567   1.155
  920    HB2  HIS 102           HB2      HIS 102  -6.878 -11.510   1.479
  921    HB3  HIS 102           HB3      HIS 102  -5.316 -10.854   1.011
  922    HD1  HIS 102           HD1      HIS 102  -4.251  -9.145   3.151
  923    HD2  HIS 102           HD2      HIS 102  -6.988 -12.228   3.958
  924    HE1  HIS 102           HE1      HIS 102  -3.880  -9.805   5.578
  925    H    ARG 103           H        ARG 103  -8.852 -10.694   0.199
  926    HA   ARG 103           HA       ARG 103  -8.405 -10.939  -2.573
  927    HB2  ARG 103           HB2      ARG 103 -10.925 -11.277  -2.666
  928    HB3  ARG 103           HB3      ARG 103 -10.071 -12.303  -1.515
  929    HG2  ARG 103           HG2      ARG 103 -10.830 -11.050   0.371
  930    HG3  ARG 103           HG3      ARG 103 -11.348  -9.696  -0.627
  931    HD2  ARG 103           HD2      ARG 103 -13.206 -11.032  -1.538
  932    HD3  ARG 103           HD3      ARG 103 -12.649 -12.441  -0.627
  933    HE   ARG 103           HE       ARG 103 -13.688 -11.623   1.249
  934   HH11  ARG 103          HH21      ARG 103 -13.433  -8.782  -0.849
  935   HH12  ARG 103          HH22      ARG 103 -13.887  -7.739   0.509
  936   HH21  ARG 103          HH11      ARG 103 -14.423 -10.113   2.772
  937   HH22  ARG 103          HH12      ARG 103 -14.438  -8.416   2.292
  938    H    LYS 104           H        LYS 104  -9.761  -8.133  -0.924
  939    HA   LYS 104           HA       LYS 104 -10.592  -6.810  -3.450
  940    HB2  LYS 104           HB2      LYS 104 -11.909  -6.569  -1.360
  941    HB3  LYS 104           HB3      LYS 104 -10.517  -5.824  -0.566
  942    HG2  LYS 104           HG2      LYS 104 -10.575  -3.962  -2.213
  943    HG3  LYS 104           HG3      LYS 104 -11.997  -4.680  -2.975
  944    HD2  LYS 104           HD2      LYS 104 -11.848  -3.827  -0.042
  945    HD3  LYS 104           HD3      LYS 104 -12.457  -2.795  -1.342
  946    HE2  LYS 104           HE2      LYS 104 -14.259  -4.359  -1.844
  947    HE3  LYS 104           HE3      LYS 104 -13.632  -5.528  -0.673
  948    HZ1  LYS 104           HZ1      LYS 104 -14.610  -2.827   0.074
  949    HZ2  LYS 104           HZ2      LYS 104 -14.109  -4.009   1.109
  950    HZ3  LYS 104           HZ3      LYS 104 -15.466  -4.213   0.237
  951    H    ILE 105           H        ILE 105  -8.093  -6.465  -0.932
  952    HA   ILE 105           HA       ILE 105  -6.722  -4.257  -2.108
  953    HB   ILE 105           HB       ILE 105  -5.736  -6.452  -0.262
  954   HG12  ILE 105          HG12      ILE 105  -6.418  -3.551   0.407
  955   HG13  ILE 105          HG13      ILE 105  -7.639  -4.815   0.452
  956   HG21  ILE 105          HG21      ILE 105  -4.386  -3.822  -1.041
  957   HG22  ILE 105          HG22      ILE 105  -3.878  -4.849   0.310
  958   HG23  ILE 105          HG23      ILE 105  -3.765  -5.462  -1.334
  959   HD11  ILE 105          HD11      ILE 105  -6.873  -4.556   2.643
  960   HD12  ILE 105          HD12      ILE 105  -6.245  -6.105   2.086
  961   HD13  ILE 105          HD13      ILE 105  -5.164  -4.686   2.197
  962    H    TYR 106           H        TYR 106  -6.214  -7.807  -2.619
  963    HA   TYR 106           HA       TYR 106  -3.995  -7.553  -4.316
  964    HB2  TYR 106           HB2      TYR 106  -6.213  -9.591  -4.306
  965    HB3  TYR 106           HB3      TYR 106  -4.757  -9.754  -5.283
  966    HD1  TYR 106           HD2      TYR 106  -2.754  -8.719  -3.058
  967    HD2  TYR 106           HD1      TYR 106  -5.972 -11.606  -3.113
  968    HE1  TYR 106           HE2      TYR 106  -1.711  -9.918  -1.173
  969    HE2  TYR 106           HE1      TYR 106  -4.888 -12.836  -1.242
  970    HH   TYR 106           HH       TYR 106  -1.722 -11.889   0.052
  971    H    THR 107           H        THR 107  -7.429  -7.402  -5.348
  972    HA   THR 107           HA       THR 107  -6.650  -6.950  -8.085
  973    HB   THR 107           HB       THR 107  -8.859  -7.916  -7.262
  974    HG1  THR 107           HG1      THR 107  -9.392  -7.733  -9.228
  975   HG21  THR 107          HG21      THR 107  -9.733  -5.977  -6.013
  976   HG22  THR 107          HG22      THR 107 -10.756  -6.379  -7.397
  977   HG23  THR 107          HG23      THR 107  -9.665  -4.985  -7.488
  978    H    MET 108           H        MET 108  -7.360  -4.684  -5.460
  979    HA   MET 108           HA       MET 108  -7.167  -2.320  -7.097
  980    HB2  MET 108           HB2      MET 108  -6.582  -2.708  -4.135
  981    HB3  MET 108           HB3      MET 108  -6.621  -1.159  -4.992
  982    HG2  MET 108           HG2      MET 108  -8.986  -1.744  -5.722
  983    HG3  MET 108           HG3      MET 108  -8.948  -3.047  -4.543
  984    HE1  MET 108           HE1      MET 108  -7.293  -1.615  -2.059
  985    HE2  MET 108           HE2      MET 108  -8.675  -0.988  -1.137
  986    HE3  MET 108           HE3      MET 108  -8.748  -2.615  -1.852
  987    H    MET 109           H        MET 109  -4.651  -4.225  -5.378
  988    HA   MET 109           HA       MET 109  -2.453  -2.510  -6.132
  989    HB2  MET 109           HB2      MET 109  -2.586  -5.434  -5.287
  990    HB3  MET 109           HB3      MET 109  -1.077  -4.589  -5.612
  991    HG2  MET 109           HG2      MET 109  -3.116  -3.817  -3.496
  992    HG3  MET 109           HG3      MET 109  -1.596  -4.649  -3.208
  993    HE1  MET 109           HE1      MET 109   1.050  -1.832  -3.811
  994    HE2  MET 109           HE2      MET 109   0.794  -3.517  -3.311
  995    HE3  MET 109           HE3      MET 109   0.546  -3.037  -5.009
  996    H    ALA 110           H        ALA 110  -3.821  -5.475  -7.656
  997    HA   ALA 110           HA       ALA 110  -1.991  -5.604  -9.833
  998    HB1  ALA 110           HB1      ALA 110  -4.915  -6.447  -9.636
  999    HB2  ALA 110           HB2      ALA 110  -3.750  -7.013 -10.853
 1000    HB3  ALA 110           HB3      ALA 110  -3.512  -7.420  -9.140
 1001    H    SER 111           H        SER 111  -4.940  -3.644  -9.410
 1002    HA   SER 111           HA       SER 111  -5.069  -2.620 -12.095
 1003    HB2  SER 111           HB2      SER 111  -6.122  -1.466  -9.483
 1004    HB3  SER 111           HB3      SER 111  -6.510  -0.862 -11.100
 1005    HG   SER 111           HG       SER 111  -7.096  -3.426 -10.013
 1006    H    MET 112           H        MET 112  -2.823  -1.857  -9.560
 1007    HA   MET 112           HA       MET 112  -2.212   0.810 -10.664
 1008    HB2  MET 112           HB2      MET 112  -1.058  -0.640  -8.262
 1009    HB3  MET 112           HB3      MET 112  -0.647   1.006  -8.776
 1010    HG2  MET 112           HG2      MET 112  -2.932   1.755  -8.454
 1011    HG3  MET 112           HG3      MET 112  -3.431   0.123  -8.022
 1012    HE1  MET 112           HE1      MET 112  -3.930   1.709  -4.637
 1013    HE2  MET 112           HE2      MET 112  -4.461   2.023  -6.311
 1014    HE3  MET 112           HE3      MET 112  -4.428   0.362  -5.687
 1015    H    THR 113           H        THR 113  -1.404  -2.099 -11.796
 1016    HA   THR 113           HA       THR 113   1.269  -1.229 -12.622
 1017    HB   THR 113           HB       THR 113   2.413  -3.076 -12.225
 1018    HG1  THR 113           HG1      THR 113   1.261  -4.679 -13.101
 1019   HG21  THR 113          HG21      THR 113   0.389  -3.141  -9.949
 1020   HG22  THR 113          HG22      THR 113   1.876  -2.158 -10.031
 1021   HG23  THR 113          HG23      THR 113   1.962  -3.924  -9.941
 1022    H    GLY 114           H        GLY 114   1.791  -1.206 -14.618
 1023    HA2  GLY 114           HA2      GLY 114   1.430  -1.104 -16.913
 1024    HA3  GLY 114           HA3      GLY 114   0.478  -2.587 -16.785
 1025    H    GLY 115           H        GLY 115  -0.800  -1.434 -18.499
 1026    HA2  GLY 115           HA2      GLY 115  -2.846  -0.637 -19.131
 1027    HA3  GLY 115           HA3      GLY 115  -3.314  -0.805 -17.442
 1028    H    GLN 116           H        GLN 116  -0.803   1.532 -18.007
 1029    HA   GLN 116           HA       GLN 116  -2.430   3.692 -17.044
 1030    HB2  GLN 116           HB2      GLN 116  -0.057   3.459 -16.538
 1031    HB3  GLN 116           HB3      GLN 116   0.359   3.591 -18.244
 1032    HG2  GLN 116           HG2      GLN 116   0.873   5.660 -17.082
 1033    HG3  GLN 116           HG3      GLN 116  -0.360   5.933 -18.295
 1034   HE21  GLN 116          HE21      GLN 116  -1.034   7.896 -17.193
 1035   HE22  GLN 116          HE22      GLN 116  -1.925   7.808 -15.681
 1036    H    GLN 117           H        GLN 117  -1.789   2.599 -20.301
 1037    HA   GLN 117           HA       GLN 117  -2.398   5.016 -21.728
 1038    HB2  GLN 117           HB2      GLN 117  -1.170   3.160 -22.713
 1039    HB3  GLN 117           HB3      GLN 117  -2.566   2.086 -22.534
 1040    HG2  GLN 117           HG2      GLN 117  -3.848   3.406 -24.159
 1041    HG3  GLN 117           HG3      GLN 117  -2.555   4.608 -24.246
 1042   HE21  GLN 117          HE21      GLN 117  -3.072   3.900 -26.655
 1043   HE22  GLN 117          HE22      GLN 117  -2.019   2.626 -27.258
 1044    H    MET 118           H        MET 118  -4.275   5.838 -22.522
 1045    HA   MET 118           HA       MET 118  -6.878   4.480 -22.062
 1046    HB2  MET 118           HB2      MET 118  -6.168   7.286 -21.125
 1047    HB3  MET 118           HB3      MET 118  -7.810   6.638 -21.200
 1048    HG2  MET 118           HG2      MET 118  -7.196   4.841 -19.626
 1049    HG3  MET 118           HG3      MET 118  -5.564   5.497 -19.494
 1050    HE1  MET 118           HE1      MET 118  -5.965   8.760 -17.476
 1051    HE2  MET 118           HE2      MET 118  -4.853   7.570 -18.188
 1052    HE3  MET 118           HE3      MET 118  -5.833   8.619 -19.240
 1053    H    GLY 119           H        GLY 119  -8.625   5.323 -23.309
 1054    HA2  GLY 119           HA2      GLY 119  -8.371   7.343 -25.350
 1055    HA3  GLY 119           HA3      GLY 119  -8.133   5.736 -26.040
  Start of MODEL    9
    1    H1   MET -11           H1       MET -11   4.043  -5.944  22.222
    2    H2   MET -11           H2       MET -11   3.395  -7.438  22.370
    3    H3   MET -11           H3       MET -11   3.324  -6.390  23.624
    4    HA   MET -11           HA       MET -11   1.181  -6.543  22.552
    5    HB2  MET -11           HB2      MET -11   1.892  -4.410  23.638
    6    HB3  MET -11           HB3      MET -11   2.522  -3.854  22.090
    7    HG2  MET -11           HG2      MET -11   0.376  -2.856  22.404
    8    HG3  MET -11           HG3      MET -11   0.224  -4.037  21.116
    9    HE1  MET -11           HE1      MET -11  -1.638  -4.316  25.362
   10    HE2  MET -11           HE2      MET -11   0.124  -4.348  25.157
   11    HE3  MET -11           HE3      MET -11  -0.802  -2.903  24.682
   12    HA   PRO -10           HA       PRO -10   1.457  -7.413  18.180
   13    HB2  PRO -10           HB2      PRO -10  -1.499  -6.810  18.327
   14    HB3  PRO -10           HB3      PRO -10  -0.669  -8.161  17.490
   15    HG2  PRO -10           HG2      PRO -10  -1.842  -8.598  19.873
   16    HG3  PRO -10           HG3      PRO -10  -0.183  -9.231  19.598
   17    HD2  PRO -10           HD2      PRO -10  -1.012  -6.673  21.005
   18    HD3  PRO -10           HD3      PRO -10   0.129  -7.940  21.556
   19    H    ARG  -9           H        ARG  -9   1.225  -6.407  16.111
   20    HA   ARG  -9           HA       ARG  -9   0.626  -3.470  16.086
   21    HB2  ARG  -9           HB2      ARG  -9   2.716  -2.998  14.934
   22    HB3  ARG  -9           HB3      ARG  -9   3.012  -3.733  16.506
   23    HG2  ARG  -9           HG2      ARG  -9   3.472  -5.920  15.416
   24    HG3  ARG  -9           HG3      ARG  -9   3.115  -5.216  13.835
   25    HD2  ARG  -9           HD2      ARG  -9   5.514  -5.320  14.116
   26    HD3  ARG  -9           HD3      ARG  -9   4.997  -3.640  14.091
   27    HE   ARG  -9           HE       ARG  -9   5.709  -3.364  16.276
   28   HH11  ARG  -9          HH11      ARG  -9   5.686  -6.823  15.686
   29   HH12  ARG  -9          HH12      ARG  -9   6.539  -7.165  17.166
   30   HH21  ARG  -9          HH21      ARG  -9   6.776  -3.880  18.144
   31   HH22  ARG  -9          HH22      ARG  -9   7.135  -5.540  18.514
   32    H    PHE  -8           H        PHE  -8   0.427  -2.475  14.036
   33    HA   PHE  -8           HA       PHE  -8  -1.396  -3.659  12.333
   34    HB2  PHE  -8           HB2      PHE  -8  -1.429  -1.384  12.330
   35    HB3  PHE  -8           HB3      PHE  -8   0.312  -1.234  12.137
   36    HD1  PHE  -8           HD2      PHE  -8  -2.849  -1.944  10.324
   37    HD2  PHE  -8           HD1      PHE  -8   1.389  -1.231   9.972
   38    HE1  PHE  -8           HE2      PHE  -8  -3.080  -1.755   7.866
   39    HE2  PHE  -8           HE1      PHE  -8   1.158  -1.071   7.501
   40    HZ   PHE  -8           HZ       PHE  -8  -1.073  -1.365   6.444
   41    H    TRP  -7           H        TRP  -7   2.064  -3.565  11.689
   42    HA   TRP  -7           HA       TRP  -7   2.015  -4.412   9.026
   43    HB2  TRP  -7           HB2      TRP  -7   3.928  -3.402   9.960
   44    HB3  TRP  -7           HB3      TRP  -7   4.073  -4.618  11.219
   45    HD1  TRP  -7           HD1      TRP  -7   5.295  -6.842  10.697
   46    HE1  TRP  -7           HE1      TRP  -7   6.762  -7.691   8.773
   47    HE3  TRP  -7           HE3      TRP  -7   4.156  -3.287   7.182
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.308  -6.976   6.036
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.130  -3.455   4.890
   50    HH2  TRP  -7           HH2      TRP  -7   6.690  -5.276   4.317
   51    H    GLU  -6           H        GLU  -6   1.458  -6.451  11.801
   52    HA   GLU  -6           HA       GLU  -6   2.110  -9.002  10.682
   53    HB2  GLU  -6           HB2      GLU  -6  -0.069  -8.232  12.668
   54    HB3  GLU  -6           HB3      GLU  -6   0.529  -9.871  12.374
   55    HG2  GLU  -6           HG2      GLU  -6   2.738  -9.280  13.221
   56    HG3  GLU  -6           HG3      GLU  -6   2.286  -7.583  13.375
   57    H    TYR  -5           H        TYR  -5  -0.832  -6.988  10.355
   58    HA   TYR  -5           HA       TYR  -5  -2.263  -8.965   8.771
   59    HB2  TYR  -5           HB2      TYR  -5  -2.773  -6.066   9.383
   60    HB3  TYR  -5           HB3      TYR  -5  -3.636  -6.902   8.109
   61    HD1  TYR  -5           HD2      TYR  -5  -3.097  -6.816  11.765
   62    HD2  TYR  -5           HD1      TYR  -5  -5.312  -8.560   8.504
   63    HE1  TYR  -5           HE2      TYR  -5  -4.771  -7.706  13.385
   64    HE2  TYR  -5           HE1      TYR  -5  -6.968  -9.474  10.119
   65    HH   TYR  -5           HH       TYR  -5  -6.676  -8.964  13.654
   66    H    TRP  -4           H        TRP  -4  -0.231  -6.194   7.969
   67    HA   TRP  -4           HA       TRP  -4  -0.726  -6.312   5.118
   68    HB2  TRP  -4           HB2      TRP  -4   0.123  -4.337   6.489
   69    HB3  TRP  -4           HB3      TRP  -4   1.690  -5.150   6.568
   70    HD1  TRP  -4           HD1      TRP  -4   3.012  -5.444   4.255
   71    HE1  TRP  -4           HE1      TRP  -4   2.822  -4.320   1.954
   72    HE3  TRP  -4           HE3      TRP  -4  -1.595  -3.281   4.775
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.807  -2.956   0.424
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.676  -2.172   2.834
   75    HH2  TRP  -4           HH2      TRP  -4  -1.487  -1.986   0.667
   76    H    LEU  -3           H        LEU  -3   1.811  -7.783   7.210
   77    HA   LEU  -3           HA       LEU  -3   3.351  -8.897   5.125
   78    HB2  LEU  -3           HB2      LEU  -3   3.909  -8.723   7.596
   79    HB3  LEU  -3           HB3      LEU  -3   2.811 -10.075   7.877
   80    HG   LEU  -3           HG       LEU  -3   4.284 -11.447   6.274
   81   HD11  LEU  -3          HD11      LEU  -3   5.435  -9.480   5.191
   82   HD12  LEU  -3          HD12      LEU  -3   6.568 -10.644   5.893
   83   HD13  LEU  -3          HD13      LEU  -3   6.207  -9.125   6.742
   84   HD21  LEU  -3          HD21      LEU  -3   6.016 -11.841   7.980
   85   HD22  LEU  -3          HD22      LEU  -3   4.410 -11.694   8.713
   86   HD23  LEU  -3          HD23      LEU  -3   5.553 -10.337   8.809
   87    H    ARG  -2           H        ARG  -2   0.233  -9.974   6.406
   88    HA   ARG  -2           HA       ARG  -2   0.328 -12.593   5.176
   89    HB2  ARG  -2           HB2      ARG  -2  -0.957 -11.979   7.249
   90    HB3  ARG  -2           HB3      ARG  -2  -2.058 -11.047   6.244
   91    HG2  ARG  -2           HG2      ARG  -2  -2.992 -13.207   6.794
   92    HG3  ARG  -2           HG3      ARG  -2  -2.740 -13.100   5.053
   93    HD2  ARG  -2           HD2      ARG  -2  -0.793 -14.520   5.150
   94    HD3  ARG  -2           HD3      ARG  -2  -0.715 -14.426   6.908
   95    HE   ARG  -2           HE       ARG  -2  -2.373 -16.208   5.276
   96   HH11  ARG  -2          HH21      ARG  -2  -2.182 -14.783   8.491
   97   HH12  ARG  -2          HH22      ARG  -2  -3.049 -16.110   9.212
   98   HH21  ARG  -2          HH11      ARG  -2  -3.385 -17.877   6.273
   99   HH22  ARG  -2          HH12      ARG  -2  -3.742 -17.795   7.983
  100    H    LEU  -1           H        LEU  -1  -0.350  -9.432   3.884
  101    HA   LEU  -1           HA       LEU  -1  -1.845 -10.350   1.547
  102    HB2  LEU  -1           HB2      LEU  -1  -0.027  -7.963   2.047
  103    HB3  LEU  -1           HB3      LEU  -1  -0.776  -8.247   0.502
  104    HG   LEU  -1           HG       LEU  -1  -2.410  -7.898   3.039
  105   HD11  LEU  -1          HD11      LEU  -1  -1.029  -5.916   2.589
  106   HD12  LEU  -1          HD12      LEU  -1  -2.727  -5.581   2.215
  107   HD13  LEU  -1          HD13      LEU  -1  -1.570  -5.894   0.901
  108   HD21  LEU  -1          HD21      LEU  -1  -3.541  -9.003   1.066
  109   HD22  LEU  -1          HD22      LEU  -1  -3.109  -7.611   0.072
  110   HD23  LEU  -1          HD23      LEU  -1  -4.217  -7.403   1.439
  111    H    MET   0           H        MET   0   1.638  -9.749   2.229
  112    HA   MET   0           HA       MET   0   2.370 -10.563  -0.444
  113    HB2  MET   0           HB2      MET   0   4.587 -10.008   0.135
  114    HB3  MET   0           HB3      MET   0   3.535  -8.792   0.823
  115    HG2  MET   0           HG2      MET   0   3.857  -9.633   3.042
  116    HG3  MET   0           HG3      MET   0   4.592 -11.123   2.451
  117    HE1  MET   0           HE1      MET   0   4.964  -7.372   3.022
  118    HE2  MET   0           HE2      MET   0   6.643  -7.028   2.560
  119    HE3  MET   0           HE3      MET   0   5.447  -7.391   1.290
  120    H    GLU   1           H        GLU   1   2.434 -12.252   2.708
  121    HA   GLU   1           HA       GLU   1   3.668 -14.651   1.480
  122    HB2  GLU   1           HB2      GLU   1   2.696 -14.061   4.302
  123    HB3  GLU   1           HB3      GLU   1   3.435 -15.576   3.806
  124    HG2  GLU   1           HG2      GLU   1   4.766 -12.838   3.790
  125    HG3  GLU   1           HG3      GLU   1   5.057 -14.140   4.927
  126    H    GLY   2           H        GLY   2   0.412 -13.589   2.326
  127    HA2  GLY   2           HA2      GLY   2  -0.761 -16.270   2.075
  128    HA3  GLY   2           HA3      GLY   2  -1.594 -14.769   2.446
  129    H    GLY   3           H        GLY   3   0.324 -14.239  -0.297
  130    HA2  GLY   3           HA2      GLY   3  -1.825 -13.954  -2.132
  131    HA3  GLY   3           HA3      GLY   3  -0.119 -14.084  -2.566
  132    H    GLY   4           H        GLY   4  -3.097 -15.511  -2.938
  133    HA2  GLY   4           HA2      GLY   4  -3.726 -17.428  -4.086
  134    HA3  GLY   4           HA3      GLY   4  -2.049 -17.955  -4.156
  135    H    GLU   5           H        GLU   5  -3.054 -17.247  -0.909
  136    HA   GLU   5           HA       GLU   5  -2.819 -19.992  -0.077
  137    HB2  GLU   5           HB2      GLU   5  -2.131 -18.110   1.303
  138    HB3  GLU   5           HB3      GLU   5  -3.803 -17.532   1.401
  139    HG2  GLU   5           HG2      GLU   5  -4.426 -19.649   2.569
  140    HG3  GLU   5           HG3      GLU   5  -2.732 -20.146   2.528
  141    H    ASN   6           H        ASN   6  -5.690 -17.942   0.541
  142    HA   ASN   6           HA       ASN   6  -7.503 -19.394  -1.035
  143    HB2  ASN   6           HB2      ASN   6  -9.005 -20.274   0.836
  144    HB3  ASN   6           HB3      ASN   6  -7.617 -21.230   0.381
  145   HD21  ASN   6          HD21      ASN   6  -6.230 -21.878   1.981
  146   HD22  ASN   6          HD22      ASN   6  -6.324 -21.287   3.637
  147    H    LEU   7           H        LEU   7  -9.331 -18.271  -1.370
  148    HA   LEU   7           HA       LEU   7 -10.306 -16.182   0.462
  149    HB2  LEU   7           HB2      LEU   7  -9.194 -15.649  -2.315
  150    HB3  LEU   7           HB3      LEU   7 -10.361 -14.566  -1.565
  151    HG   LEU   7           HG       LEU   7  -7.593 -15.149  -0.450
  152   HD11  LEU   7          HD11      LEU   7  -7.348 -13.872  -2.431
  153   HD12  LEU   7          HD12      LEU   7  -7.282 -12.713  -1.096
  154   HD13  LEU   7          HD13      LEU   7  -8.755 -12.865  -2.069
  155   HD21  LEU   7          HD21      LEU   7  -8.087 -13.215   1.033
  156   HD22  LEU   7          HD22      LEU   7  -9.164 -14.561   1.359
  157   HD23  LEU   7          HD23      LEU   7  -9.758 -13.175   0.424
  158    H    TYR   8           H        TYR   8 -11.375 -18.666  -0.110
  159    HA   TYR   8           HA       TYR   8 -13.094 -18.792  -2.289
  160    HB2  TYR   8           HB2      TYR   8 -14.284 -20.625  -0.943
  161    HB3  TYR   8           HB3      TYR   8 -12.617 -20.808  -1.444
  162    HD1  TYR   8           HD1      TYR   8 -14.580 -19.524   1.518
  163    HD2  TYR   8           HD2      TYR   8 -11.060 -21.596   0.109
  164    HE1  TYR   8           HE1      TYR   8 -13.888 -19.959   3.869
  165    HE2  TYR   8           HE2      TYR   8 -10.379 -22.032   2.463
  166    HH   TYR   8           HH       TYR   8 -10.893 -21.754   4.680
  167    H    PHE   9           H        PHE   9 -13.734 -16.825   0.392
  168    HA   PHE   9           HA       PHE   9 -16.575 -16.699   0.164
  169    HB2  PHE   9           HB2      PHE   9 -14.535 -14.781   1.274
  170    HB3  PHE   9           HB3      PHE   9 -16.250 -14.410   1.229
  171    HD1  PHE   9           HD1      PHE   9 -17.930 -15.937   2.377
  172    HD2  PHE   9           HD2      PHE   9 -13.672 -16.247   3.004
  173    HE1  PHE   9           HE1      PHE   9 -18.328 -17.227   4.463
  174    HE2  PHE   9           HE2      PHE   9 -14.074 -17.532   5.088
  175    HZ   PHE   9           HZ       PHE   9 -16.400 -18.027   5.820
  176    H    GLN  10           H        GLN  10 -14.179 -15.390  -1.958
  177    HA   GLN  10           HA       GLN  10 -16.239 -13.866  -3.468
  178    HB2  GLN  10           HB2      GLN  10 -13.966 -12.895  -2.910
  179    HB3  GLN  10           HB3      GLN  10 -13.252 -14.102  -3.972
  180    HG2  GLN  10           HG2      GLN  10 -13.438 -11.928  -5.074
  181    HG3  GLN  10           HG3      GLN  10 -14.429 -13.093  -5.920
  182   HE21  GLN  10          HE21      GLN  10 -14.482 -10.222  -3.812
  183   HE22  GLN  10          HE22      GLN  10 -16.203  -9.917  -3.999
  184    H    GLY  11           H        GLY  11 -15.555 -17.027  -3.223
  185    HA2  GLY  11           HA2      GLY  11 -16.036 -18.843  -4.566
  186    HA3  GLY  11           HA3      GLY  11 -16.393 -17.773  -5.917
  187    H    MET  12           H        MET  12 -15.255 -19.758  -6.832
  188    HA   MET  12           HA       MET  12 -13.547 -20.786  -7.870
  189    HB2  MET  12           HB2      MET  12 -12.351 -19.380  -9.425
  190    HB3  MET  12           HB3      MET  12 -14.044 -18.933  -9.296
  191    HG2  MET  12           HG2      MET  12 -13.480 -16.965  -7.957
  192    HG3  MET  12           HG3      MET  12 -11.791 -17.464  -7.885
  193    HE1  MET  12           HE1      MET  12 -13.963 -15.704 -11.585
  194    HE2  MET  12           HE2      MET  12 -14.397 -17.306 -10.960
  195    HE3  MET  12           HE3      MET  12 -14.658 -15.859  -9.957
  196    H    SER  13           H        SER  13 -12.910 -20.573  -5.110
  197    HA   SER  13           HA       SER  13 -11.334 -20.954  -3.592
  198    HB2  SER  13           HB2      SER  13 -10.550 -22.711  -5.082
  199    HB3  SER  13           HB3      SER  13  -9.448 -21.560  -5.866
  200    HG   SER  13           HG       SER  13  -8.433 -22.825  -4.220
  201    H    VAL  14           H        VAL  14  -9.870 -19.057  -6.051
  202    HA   VAL  14           HA       VAL  14  -9.300 -16.854  -4.192
  203    HB   VAL  14           HB       VAL  14  -7.069 -17.955  -5.918
  204   HG11  VAL  14          HG11      VAL  14  -5.637 -16.287  -4.814
  205   HG12  VAL  14          HG12      VAL  14  -6.927 -15.504  -5.711
  206   HG13  VAL  14          HG13      VAL  14  -7.037 -15.645  -3.937
  207   HG21  VAL  14          HG21      VAL  14  -7.310 -17.937  -2.886
  208   HG22  VAL  14          HG22      VAL  14  -7.331 -19.381  -3.929
  209   HG23  VAL  14          HG23      VAL  14  -5.867 -18.415  -3.805
  210    HA   PRO  15           HA       PRO  15 -10.885 -14.970  -7.948
  211    HB2  PRO  15           HB2      PRO  15 -11.036 -12.363  -7.187
  212    HB3  PRO  15           HB3      PRO  15 -12.073 -13.638  -6.481
  213    HG2  PRO  15           HG2      PRO  15  -9.492 -12.507  -5.339
  214    HG3  PRO  15           HG3      PRO  15 -11.066 -12.710  -4.508
  215    HD2  PRO  15           HD2      PRO  15  -9.059 -14.568  -4.325
  216    HD3  PRO  15           HD3      PRO  15 -10.789 -15.043  -4.342
  217    H    THR  16           H        THR  16  -7.845 -13.789  -6.518
  218    HA   THR  16           HA       THR  16  -7.132 -12.001  -8.509
  219    HB   THR  16           HB       THR  16  -4.964 -13.338  -6.968
  220    HG1  THR  16           HG1      THR  16  -5.555 -12.205  -5.154
  221   HG21  THR  16          HG21      THR  16  -4.172 -11.042  -6.717
  222   HG22  THR  16          HG22      THR  16  -5.648 -10.412  -7.490
  223   HG23  THR  16          HG23      THR  16  -4.478 -11.372  -8.423
  224    H    ASP  17           H        ASP  17  -6.130 -11.956 -10.412
  225    HA   ASP  17           HA       ASP  17  -5.332 -14.459 -11.709
  226    HB2  ASP  17           HB2      ASP  17  -6.650 -12.828 -12.927
  227    HB3  ASP  17           HB3      ASP  17  -5.406 -11.599 -12.694
  228    H    GLY  18           H        GLY  18  -3.725 -14.560  -9.758
  229    HA2  GLY  18           HA2      GLY  18  -1.539 -14.623  -8.992
  230    HA3  GLY  18           HA3      GLY  18  -1.049 -14.463 -10.678
  231    H    ALA  19           H        ALA  19   0.640 -13.055 -10.441
  232    HA   ALA  19           HA       ALA  19   0.420 -10.527  -8.987
  233    HB1  ALA  19           HB1      ALA  19   2.725 -10.198  -9.758
  234    HB2  ALA  19           HB2      ALA  19   2.523 -11.821  -9.080
  235    HB3  ALA  19           HB3      ALA  19   2.586 -11.597 -10.845
  236    H    VAL  20           H        VAL  20  -1.077 -11.340 -11.752
  237    HA   VAL  20           HA       VAL  20  -1.836 -10.462 -13.565
  238    HB   VAL  20           HB       VAL  20  -2.657  -8.898 -11.664
  239   HG11  VAL  20          HG11      VAL  20  -1.322  -6.866 -13.512
  240   HG12  VAL  20          HG12      VAL  20  -2.487  -6.511 -12.238
  241   HG13  VAL  20          HG13      VAL  20  -0.909  -7.167 -11.812
  242   HG21  VAL  20          HG21      VAL  20  -4.228  -7.886 -13.204
  243   HG22  VAL  20          HG22      VAL  20  -3.185  -8.259 -14.588
  244   HG23  VAL  20          HG23      VAL  20  -3.937  -9.571 -13.653
  245    H    THR  21           H        THR  21   1.351  -9.759 -13.162
  246    HA   THR  21           HA       THR  21   1.805  -8.091 -15.385
  247    HB   THR  21           HB       THR  21   4.001  -8.225 -15.114
  248    HG1  THR  21           HG1      THR  21   5.105 -10.061 -14.445
  249   HG21  THR  21          HG21      THR  21   4.650  -8.484 -12.808
  250   HG22  THR  21          HG22      THR  21   3.224  -9.469 -12.443
  251   HG23  THR  21          HG23      THR  21   3.037  -7.744 -12.844
  252    H    THR  22           H        THR  22   2.806  -8.378 -17.408
  253    HA   THR  22           HA       THR  22   1.620 -10.477 -18.923
  254    HB   THR  22           HB       THR  22   3.548  -8.714 -20.306
  255    HG1  THR  22           HG1      THR  22   2.107  -7.011 -20.243
  256   HG21  THR  22          HG21      THR  22   2.042 -10.261 -21.567
  257   HG22  THR  22          HG22      THR  22   1.705  -8.565 -21.931
  258   HG23  THR  22          HG23      THR  22   0.634  -9.464 -20.834
  259    H    SER  23           H        SER  23   3.868 -11.339 -17.068
  260    HA   SER  23           HA       SER  23   6.060 -12.237 -18.673
  261    HB2  SER  23           HB2      SER  23   6.654 -13.578 -16.726
  262    HB3  SER  23           HB3      SER  23   6.154 -11.952 -16.231
  263    HG   SER  23           HG       SER  23   5.156 -13.482 -14.906
  264    H    GLN  24           H        GLN  24   2.995 -13.759 -17.879
  265    HA   GLN  24           HA       GLN  24   1.847 -15.544 -18.557
  266    HB2  GLN  24           HB2      GLN  24   3.575 -15.300 -21.034
  267    HB3  GLN  24           HB3      GLN  24   2.166 -16.357 -20.896
  268    HG2  GLN  24           HG2      GLN  24   0.707 -14.430 -20.428
  269    HG3  GLN  24           HG3      GLN  24   2.082 -13.332 -20.538
  270   HE21  GLN  24          HE21      GLN  24   0.077 -12.656 -22.162
  271   HE22  GLN  24          HE22      GLN  24   0.425 -13.126 -23.821
  272    H    ILE  25           H        ILE  25   5.259 -16.198 -18.311
  273    HA   ILE  25           HA       ILE  25   5.137 -19.027 -18.626
  274    HB   ILE  25           HB       ILE  25   7.328 -19.023 -17.388
  275   HG12  ILE  25          HG12      ILE  25   7.103 -15.977 -17.450
  276   HG13  ILE  25          HG13      ILE  25   6.836 -16.940 -15.998
  277   HG21  ILE  25          HG21      ILE  25   8.532 -18.005 -19.254
  278   HG22  ILE  25          HG22      ILE  25   7.094 -18.830 -19.856
  279   HG23  ILE  25          HG23      ILE  25   7.100 -17.060 -19.712
  280   HD11  ILE  25          HD11      ILE  25   9.440 -16.766 -17.556
  281   HD12  ILE  25          HD12      ILE  25   9.085 -16.095 -15.956
  282   HD13  ILE  25          HD13      ILE  25   9.147 -17.853 -16.177
  283    HA   PRO  26           HA       PRO  26   3.519 -20.316 -14.657
  284    HB2  PRO  26           HB2      PRO  26   4.283 -22.926 -14.560
  285    HB3  PRO  26           HB3      PRO  26   3.084 -22.323 -15.744
  286    HG2  PRO  26           HG2      PRO  26   6.056 -22.778 -16.178
  287    HG3  PRO  26           HG3      PRO  26   4.692 -23.341 -17.195
  288    HD2  PRO  26           HD2      PRO  26   6.083 -21.061 -17.765
  289    HD3  PRO  26           HD3      PRO  26   4.327 -21.189 -18.070
  290    H    ALA  27           H        ALA  27   6.977 -20.523 -15.332
  291    HA   ALA  27           HA       ALA  27   7.814 -21.340 -12.704
  292    HB1  ALA  27           HB1      ALA  27  10.071 -20.881 -13.576
  293    HB2  ALA  27           HB2      ALA  27   9.109 -21.807 -14.743
  294    HB3  ALA  27           HB3      ALA  27   9.372 -20.064 -14.990
  295    H    SER  28           H        SER  28   8.761 -20.218 -11.064
  296    HA   SER  28           HA       SER  28   8.778 -17.231 -11.075
  297    HB2  SER  28           HB2      SER  28   7.673 -19.012  -8.870
  298    HB3  SER  28           HB3      SER  28   7.924 -17.262  -8.749
  299    HG   SER  28           HG       SER  28   6.172 -18.619 -10.535
  300    H    GLU  29           H        GLU  29  10.925 -19.275 -11.406
  301    HA   GLU  29           HA       GLU  29  12.417 -19.452  -8.924
  302    HB2  GLU  29           HB2      GLU  29  13.221 -20.084 -11.792
  303    HB3  GLU  29           HB3      GLU  29  14.107 -20.584 -10.358
  304    HG2  GLU  29           HG2      GLU  29  11.295 -21.475 -11.129
  305    HG3  GLU  29           HG3      GLU  29  12.772 -22.404 -11.319
  306    H    GLN  30           H        GLN  30  12.169 -16.871 -11.055
  307    HA   GLN  30           HA       GLN  30  14.730 -15.652 -10.153
  308    HB2  GLN  30           HB2      GLN  30  13.717 -15.704 -13.027
  309    HB3  GLN  30           HB3      GLN  30  15.059 -14.721 -12.429
  310    HG2  GLN  30           HG2      GLN  30  16.241 -16.826 -11.726
  311    HG3  GLN  30           HG3      GLN  30  14.963 -17.766 -12.501
  312   HE21  GLN  30          HE21      GLN  30  17.400 -18.338 -13.428
  313   HE22  GLN  30          HE22      GLN  30  17.678 -17.573 -14.988
  314    H    GLU  31           H        GLU  31  14.778 -13.271 -10.578
  315    HA   GLU  31           HA       GLU  31  12.564 -11.969  -9.355
  316    HB2  GLU  31           HB2      GLU  31  14.877 -11.198  -9.218
  317    HB3  GLU  31           HB3      GLU  31  14.895 -10.842 -10.952
  318    HG2  GLU  31           HG2      GLU  31  13.143  -9.115 -10.619
  319    HG3  GLU  31           HG3      GLU  31  13.083  -9.512  -8.900
  320    H    THR  32           H        THR  32  10.689 -11.272 -10.126
  321    HA   THR  32           HA       THR  32  10.413 -10.585 -12.988
  322    HB   THR  32           HB       THR  32   8.052 -11.728 -11.589
  323    HG1  THR  32           HG1      THR  32   9.760 -13.265 -11.490
  324   HG21  THR  32          HG21      THR  32   8.910 -11.610 -14.512
  325   HG22  THR  32          HG22      THR  32   7.661 -10.604 -13.738
  326   HG23  THR  32          HG23      THR  32   7.417 -12.350 -13.892
  327    H    LEU  33           H        LEU  33   9.477  -8.775 -13.581
  328    HA   LEU  33           HA       LEU  33   8.978  -6.845 -11.377
  329    HB2  LEU  33           HB2      LEU  33   9.893  -6.404 -14.234
  330    HB3  LEU  33           HB3      LEU  33   9.740  -5.153 -13.005
  331    HG   LEU  33           HG       LEU  33  11.646  -7.540 -12.766
  332   HD11  LEU  33          HD11      LEU  33  12.208  -4.701 -13.672
  333   HD12  LEU  33          HD12      LEU  33  12.276  -6.164 -14.673
  334   HD13  LEU  33          HD13      LEU  33  13.424  -5.952 -13.341
  335   HD21  LEU  33          HD21      LEU  33  12.730  -6.157 -11.034
  336   HD22  LEU  33          HD22      LEU  33  11.067  -6.541 -10.589
  337   HD23  LEU  33          HD23      LEU  33  11.469  -4.923 -11.212
  338    H    VAL  34           H        VAL  34   7.353  -5.425 -11.343
  339    HA   VAL  34           HA       VAL  34   4.981  -6.081 -13.001
  340    HB   VAL  34           HB       VAL  34   3.590  -5.431 -11.322
  341   HG11  VAL  34          HG11      VAL  34   5.992  -6.400  -9.741
  342   HG12  VAL  34          HG12      VAL  34   4.277  -6.562  -9.312
  343   HG13  VAL  34          HG13      VAL  34   4.930  -7.460 -10.695
  344   HG21  VAL  34          HG21      VAL  34   4.268  -4.185  -9.263
  345   HG22  VAL  34          HG22      VAL  34   5.860  -3.911  -9.981
  346   HG23  VAL  34          HG23      VAL  34   4.396  -3.219 -10.730
  347    H    ARG  35           H        ARG  35   7.141  -3.512 -12.530
  348    HA   ARG  35           HA       ARG  35   7.255  -1.318 -13.074
  349    HB2  ARG  35           HB2      ARG  35   7.588  -2.494 -15.218
  350    HB3  ARG  35           HB3      ARG  35   5.881  -2.285 -15.608
  351    HG2  ARG  35           HG2      ARG  35   6.164   0.173 -15.642
  352    HG3  ARG  35           HG3      ARG  35   7.844   0.004 -15.104
  353    HD2  ARG  35           HD2      ARG  35   8.401  -1.230 -17.160
  354    HD3  ARG  35           HD3      ARG  35   6.728  -1.141 -17.703
  355    HE   ARG  35           HE       ARG  35   8.724   1.063 -17.586
  356   HH11  ARG  35          HH11      ARG  35   5.447   0.184 -18.481
  357   HH12  ARG  35          HH12      ARG  35   5.268   1.576 -19.515
  358   HH21  ARG  35          HH21      ARG  35   8.401   2.833 -18.870
  359   HH22  ARG  35          HH22      ARG  35   6.893   3.040 -19.712
  360    HA   PRO  36           HA       PRO  36   2.942  -0.394 -11.704
  361    HB2  PRO  36           HB2      PRO  36   3.488   0.972  -9.409
  362    HB3  PRO  36           HB3      PRO  36   3.520  -0.812  -9.502
  363    HG2  PRO  36           HG2      PRO  36   5.851   1.106  -9.620
  364    HG3  PRO  36           HG3      PRO  36   5.694  -0.431  -8.701
  365    HD2  PRO  36           HD2      PRO  36   6.970  -0.219 -11.141
  366    HD3  PRO  36           HD3      PRO  36   6.173  -1.713 -10.584
  367    H    LYS  37           H        LYS  37   1.793   1.651 -11.359
  368    HA   LYS  37           HA       LYS  37   2.499   3.724 -13.179
  369    HB2  LYS  37           HB2      LYS  37   0.540   3.751 -10.846
  370    HB3  LYS  37           HB3      LYS  37   0.634   5.014 -12.081
  371    HG2  LYS  37           HG2      LYS  37   0.203   3.285 -13.851
  372    HG3  LYS  37           HG3      LYS  37  -0.029   2.083 -12.589
  373    HD2  LYS  37           HD2      LYS  37  -1.770   4.499 -13.181
  374    HD3  LYS  37           HD3      LYS  37  -2.163   2.786 -13.355
  375    HE2  LYS  37           HE2      LYS  37  -1.666   2.736 -10.732
  376    HE3  LYS  37           HE3      LYS  37  -1.959   4.469 -10.849
  377    HZ1  LYS  37           HZ1      LYS  37  -4.140   3.880 -11.915
  378    HZ2  LYS  37           HZ2      LYS  37  -4.030   3.365 -10.371
  379    HZ3  LYS  37           HZ3      LYS  37  -3.855   2.292 -11.588
  380    HA   PRO  38           HA       PRO  38   5.518   6.106 -11.135
  381    HB2  PRO  38           HB2      PRO  38   5.066   8.685 -12.016
  382    HB3  PRO  38           HB3      PRO  38   5.755   7.374 -13.018
  383    HG2  PRO  38           HG2      PRO  38   2.860   8.276 -12.872
  384    HG3  PRO  38           HG3      PRO  38   3.862   8.000 -14.334
  385    HD2  PRO  38           HD2      PRO  38   2.170   6.099 -13.453
  386    HD3  PRO  38           HD3      PRO  38   3.796   5.642 -14.042
  387    H    LEU  39           H        LEU  39   2.174   7.166 -10.638
  388    HA   LEU  39           HA       LEU  39   2.536   8.866  -8.398
  389    HB2  LEU  39           HB2      LEU  39   0.440   8.561  -9.742
  390    HB3  LEU  39           HB3      LEU  39   0.263   6.946  -9.058
  391    HG   LEU  39           HG       LEU  39   0.074   8.008  -6.757
  392   HD11  LEU  39          HD11      LEU  39   1.147  10.176  -7.187
  393   HD12  LEU  39          HD12      LEU  39  -0.539  10.436  -6.720
  394   HD13  LEU  39          HD13      LEU  39  -0.070  10.564  -8.426
  395   HD21  LEU  39          HD21      LEU  39  -2.225   8.728  -7.070
  396   HD22  LEU  39          HD22      LEU  39  -1.906   7.319  -8.086
  397   HD23  LEU  39          HD23      LEU  39  -1.964   8.937  -8.818
  398    H    LEU  40           H        LEU  40   2.382   5.293  -8.588
  399    HA   LEU  40           HA       LEU  40   2.474   4.946  -5.700
  400    HB2  LEU  40           HB2      LEU  40   1.421   3.289  -7.229
  401    HB3  LEU  40           HB3      LEU  40   2.985   2.966  -7.959
  402    HG   LEU  40           HG       LEU  40   3.860   2.051  -5.849
  403   HD11  LEU  40          HD11      LEU  40   1.087   2.598  -4.718
  404   HD12  LEU  40          HD12      LEU  40   2.593   3.393  -4.194
  405   HD13  LEU  40          HD13      LEU  40   2.372   1.672  -3.913
  406   HD21  LEU  40          HD21      LEU  40   1.156   0.995  -6.729
  407   HD22  LEU  40          HD22      LEU  40   2.208   0.126  -5.623
  408   HD23  LEU  40          HD23      LEU  40   2.757   0.457  -7.276
  409    H    LEU  41           H        LEU  41   4.824   4.740  -8.379
  410    HA   LEU  41           HA       LEU  41   7.088   3.934  -6.930
  411    HB2  LEU  41           HB2      LEU  41   6.980   4.019  -9.349
  412    HB3  LEU  41           HB3      LEU  41   6.783   5.772  -9.325
  413    HG   LEU  41           HG       LEU  41   9.036   6.107  -8.517
  414   HD11  LEU  41          HD11      LEU  41   9.089   3.076  -8.422
  415   HD12  LEU  41          HD12      LEU  41   9.506   4.198  -7.108
  416   HD13  LEU  41          HD13      LEU  41  10.582   4.027  -8.512
  417   HD21  LEU  41          HD21      LEU  41   8.965   4.138 -10.837
  418   HD22  LEU  41          HD22      LEU  41  10.254   5.314 -10.491
  419   HD23  LEU  41          HD23      LEU  41   8.639   5.884 -10.944
  420    H    LYS  42           H        LYS  42   5.840   7.273  -7.327
  421    HA   LYS  42           HA       LYS  42   7.835   8.610  -5.797
  422    HB2  LYS  42           HB2      LYS  42   6.159   9.700  -7.247
  423    HB3  LYS  42           HB3      LYS  42   4.858   9.208  -6.158
  424    HG2  LYS  42           HG2      LYS  42   5.754  10.646  -4.368
  425    HG3  LYS  42           HG3      LYS  42   7.167  11.031  -5.362
  426    HD2  LYS  42           HD2      LYS  42   5.637  12.886  -5.430
  427    HD3  LYS  42           HD3      LYS  42   5.679  12.131  -7.030
  428    HE2  LYS  42           HE2      LYS  42   3.550  10.949  -6.528
  429    HE3  LYS  42           HE3      LYS  42   3.535  11.651  -4.905
  430    HZ1  LYS  42           HZ1      LYS  42   3.373  13.857  -5.933
  431    HZ2  LYS  42           HZ2      LYS  42   2.132  12.927  -6.433
  432    HZ3  LYS  42           HZ3      LYS  42   3.391  13.213  -7.434
  433    H    LEU  43           H        LEU  43   4.918   6.874  -4.686
  434    HA   LEU  43           HA       LEU  43   5.206   7.566  -1.880
  435    HB2  LEU  43           HB2      LEU  43   3.094   6.878  -2.884
  436    HB3  LEU  43           HB3      LEU  43   3.706   5.270  -3.203
  437    HG   LEU  43           HG       LEU  43   3.612   6.368  -0.375
  438   HD11  LEU  43          HD11      LEU  43   1.418   5.375  -0.112
  439   HD12  LEU  43          HD12      LEU  43   1.441   4.762  -1.770
  440   HD13  LEU  43          HD13      LEU  43   1.335   6.509  -1.467
  441   HD21  LEU  43          HD21      LEU  43   4.852   4.254  -0.513
  442   HD22  LEU  43          HD22      LEU  43   3.612   3.546  -1.569
  443   HD23  LEU  43          HD23      LEU  43   3.267   3.899   0.133
  444    H    LEU  44           H        LEU  44   6.369   4.778  -3.865
  445    HA   LEU  44           HA       LEU  44   7.713   3.450  -1.708
  446    HB2  LEU  44           HB2      LEU  44   8.799   3.477  -4.528
  447    HB3  LEU  44           HB3      LEU  44   8.923   2.215  -3.309
  448    HG   LEU  44           HG       LEU  44   6.442   2.955  -4.879
  449   HD11  LEU  44          HD11      LEU  44   6.723   0.771  -5.928
  450   HD12  LEU  44          HD12      LEU  44   8.206   0.492  -4.986
  451   HD13  LEU  44          HD13      LEU  44   8.147   1.788  -6.194
  452   HD21  LEU  44          HD21      LEU  44   5.296   1.122  -3.882
  453   HD22  LEU  44          HD22      LEU  44   5.936   2.082  -2.540
  454   HD23  LEU  44          HD23      LEU  44   6.753   0.584  -3.043
  455    H    LYS  45           H        LYS  45   8.885   6.041  -3.909
  456    HA   LYS  45           HA       LYS  45  11.414   6.418  -2.575
  457    HB2  LYS  45           HB2      LYS  45   9.750   8.030  -4.507
  458    HB3  LYS  45           HB3      LYS  45  11.234   8.708  -3.818
  459    HG2  LYS  45           HG2      LYS  45  12.623   7.207  -4.830
  460    HG3  LYS  45           HG3      LYS  45  11.416   5.907  -4.861
  461    HD2  LYS  45           HD2      LYS  45  10.246   6.852  -6.700
  462    HD3  LYS  45           HD3      LYS  45  11.147   8.371  -6.603
  463    HE2  LYS  45           HE2      LYS  45  11.845   6.866  -8.437
  464    HE3  LYS  45           HE3      LYS  45  13.140   7.399  -7.345
  465    HZ1  LYS  45           HZ1      LYS  45  13.076   5.219  -6.258
  466    HZ2  LYS  45           HZ2      LYS  45  13.311   4.992  -7.861
  467    HZ3  LYS  45           HZ3      LYS  45  11.849   4.724  -7.206
  468    H    SER  46           H        SER  46   8.261   7.525  -1.586
  469    HA   SER  46           HA       SER  46   9.224   9.539   0.266
  470    HB2  SER  46           HB2      SER  46   6.671   7.888   0.375
  471    HB3  SER  46           HB3      SER  46   7.049   9.288   1.380
  472    HG   SER  46           HG       SER  46   6.999   9.326  -1.473
  473    H    VAL  47           H        VAL  47   9.355   6.075   0.318
  474    HA   VAL  47           HA       VAL  47  10.636   6.198   3.017
  475    HB   VAL  47           HB       VAL  47  10.143   3.840   3.339
  476   HG11  VAL  47          HG11      VAL  47   8.633   5.576   4.237
  477   HG12  VAL  47          HG12      VAL  47   7.639   5.460   2.772
  478   HG13  VAL  47          HG13      VAL  47   7.796   4.062   3.861
  479   HG21  VAL  47          HG21      VAL  47   9.905   3.172   0.931
  480   HG22  VAL  47          HG22      VAL  47   8.578   2.617   1.969
  481   HG23  VAL  47          HG23      VAL  47   8.339   4.003   0.891
  482    H    GLY  48           H        GLY  48  11.640   6.584   0.111
  483    HA2  GLY  48           HA2      GLY  48  13.830   6.693  -0.526
  484    HA3  GLY  48           HA3      GLY  48  14.287   5.665   0.824
  485    H    ALA  49           H        ALA  49  11.936   4.444  -1.579
  486    HA   ALA  49           HA       ALA  49  13.574   2.179  -2.127
  487    HB1  ALA  49           HB1      ALA  49  11.170   3.213  -3.654
  488    HB2  ALA  49           HB2      ALA  49  11.747   1.531  -3.533
  489    HB3  ALA  49           HB3      ALA  49  11.081   2.330  -2.108
  490    H    GLN  50           H        GLN  50  15.242   1.948  -3.453
  491    HA   GLN  50           HA       GLN  50  16.188   4.182  -4.996
  492    HB2  GLN  50           HB2      GLN  50  17.606   2.837  -3.532
  493    HB3  GLN  50           HB3      GLN  50  17.280   1.395  -4.487
  494    HG2  GLN  50           HG2      GLN  50  19.497   2.214  -4.975
  495    HG3  GLN  50           HG3      GLN  50  18.502   2.340  -6.410
  496   HE21  GLN  50          HE21      GLN  50  20.289   3.870  -7.088
  497   HE22  GLN  50          HE22      GLN  50  20.178   5.538  -6.538
  498    H    LYS  51           H        LYS  51  14.756   1.110  -6.008
  499    HA   LYS  51           HA       LYS  51  15.907   1.043  -8.659
  500    HB2  LYS  51           HB2      LYS  51  13.337  -0.357  -7.890
  501    HB3  LYS  51           HB3      LYS  51  14.544  -0.858  -9.058
  502    HG2  LYS  51           HG2      LYS  51  16.097  -1.474  -7.247
  503    HG3  LYS  51           HG3      LYS  51  14.972  -0.833  -6.041
  504    HD2  LYS  51           HD2      LYS  51  14.587  -3.113  -5.951
  505    HD3  LYS  51           HD3      LYS  51  13.236  -2.482  -6.907
  506    HE2  LYS  51           HE2      LYS  51  14.295  -3.244  -8.979
  507    HE3  LYS  51           HE3      LYS  51  15.734  -3.771  -8.084
  508    HZ1  LYS  51           HZ1      LYS  51  13.002  -4.876  -7.667
  509    HZ2  LYS  51           HZ2      LYS  51  14.283  -5.345  -6.868
  510    HZ3  LYS  51           HZ3      LYS  51  14.221  -5.662  -8.478
  511    H    ASP  52           H        ASP  52  14.649   0.995 -10.661
  512    HA   ASP  52           HA       ASP  52  12.423   2.947 -10.770
  513    HB2  ASP  52           HB2      ASP  52  12.902   3.064 -13.228
  514    HB3  ASP  52           HB3      ASP  52  14.036   3.801 -12.112
  515    H    THR  53           H        THR  53  12.753  -0.341 -10.643
  516    HA   THR  53           HA       THR  53   9.978  -0.812 -11.538
  517    HB   THR  53           HB       THR  53  10.986  -3.036 -12.598
  518    HG1  THR  53           HG1      THR  53  12.868  -2.531 -13.840
  519   HG21  THR  53          HG21      THR  53   9.565  -1.459 -13.806
  520   HG22  THR  53          HG22      THR  53  10.849  -2.108 -14.834
  521   HG23  THR  53          HG23      THR  53  10.984  -0.454 -14.191
  522    H    TYR  54           H        TYR  54   9.184  -2.705 -10.521
  523    HA   TYR  54           HA       TYR  54  10.822  -3.830  -8.311
  524    HB2  TYR  54           HB2      TYR  54   8.177  -2.361  -8.073
  525    HB3  TYR  54           HB3      TYR  54   8.904  -3.304  -6.785
  526    HD1  TYR  54           HD2      TYR  54   9.296  -0.257  -8.871
  527    HD2  TYR  54           HD1      TYR  54  10.736  -2.458  -5.456
  528    HE1  TYR  54           HE2      TYR  54  10.742   1.656  -8.230
  529    HE2  TYR  54           HE1      TYR  54  12.058  -0.469  -4.737
  530    HH   TYR  54           HH       TYR  54  12.496   2.291  -6.861
  531    H    THR  55           H        THR  55  10.063  -5.715  -7.302
  532    HA   THR  55           HA       THR  55   8.143  -7.347  -8.833
  533    HB   THR  55           HB       THR  55   8.686  -9.196  -7.682
  534    HG1  THR  55           HG1      THR  55   9.617  -9.156  -5.603
  535   HG21  THR  55          HG21      THR  55  11.062  -9.404  -7.398
  536   HG22  THR  55          HG22      THR  55  11.265  -7.653  -7.202
  537   HG23  THR  55          HG23      THR  55  10.783  -8.322  -8.774
  538    H    MET  56           H        MET  56   6.156  -8.359  -7.797
  539    HA   MET  56           HA       MET  56   4.588  -6.333  -6.521
  540    HB2  MET  56           HB2      MET  56   3.689  -8.317  -7.804
  541    HB3  MET  56           HB3      MET  56   4.050  -9.323  -6.383
  542    HG2  MET  56           HG2      MET  56   2.502  -8.032  -5.021
  543    HG3  MET  56           HG3      MET  56   2.319  -6.827  -6.262
  544    HE1  MET  56           HE1      MET  56   0.460  -6.640  -7.528
  545    HE2  MET  56           HE2      MET  56   1.427  -7.556  -8.702
  546    HE3  MET  56           HE3      MET  56  -0.310  -7.926  -8.505
  547    H    LYS  57           H        LYS  57   6.604  -8.916  -5.158
  548    HA   LYS  57           HA       LYS  57   5.789  -8.707  -2.425
  549    HB2  LYS  57           HB2      LYS  57   7.311 -10.477  -3.726
  550    HB3  LYS  57           HB3      LYS  57   8.616  -9.372  -3.325
  551    HG2  LYS  57           HG2      LYS  57   8.704 -10.835  -1.546
  552    HG3  LYS  57           HG3      LYS  57   7.674  -9.563  -0.857
  553    HD2  LYS  57           HD2      LYS  57   5.664 -10.899  -1.569
  554    HD3  LYS  57           HD3      LYS  57   6.727 -12.185  -2.138
  555    HE2  LYS  57           HE2      LYS  57   6.524 -11.187   0.735
  556    HE3  LYS  57           HE3      LYS  57   5.719 -12.618   0.095
  557    HZ1  LYS  57           HZ1      LYS  57   7.694 -13.225   1.250
  558    HZ2  LYS  57           HZ2      LYS  57   8.653 -12.263   0.330
  559    HZ3  LYS  57           HZ3      LYS  57   7.921 -13.575  -0.335
  560    H    GLU  58           H        GLU  58   8.328  -7.042  -4.314
  561    HA   GLU  58           HA       GLU  58   9.332  -5.406  -2.157
  562    HB2  GLU  58           HB2      GLU  58   9.413  -5.070  -5.166
  563    HB3  GLU  58           HB3      GLU  58  10.235  -4.005  -4.019
  564    HG2  GLU  58           HG2      GLU  58  11.636  -5.784  -3.205
  565    HG3  GLU  58           HG3      GLU  58  10.787  -6.984  -4.184
  566    H    VAL  59           H        VAL  59   6.862  -4.714  -4.715
  567    HA   VAL  59           HA       VAL  59   6.363  -2.018  -3.877
  568    HB   VAL  59           HB       VAL  59   4.389  -3.920  -5.212
  569   HG11  VAL  59          HG11      VAL  59   3.264  -1.904  -5.970
  570   HG12  VAL  59          HG12      VAL  59   3.293  -1.935  -4.204
  571   HG13  VAL  59          HG13      VAL  59   4.419  -0.881  -5.078
  572   HG21  VAL  59          HG21      VAL  59   6.441  -3.552  -6.610
  573   HG22  VAL  59          HG22      VAL  59   5.040  -2.745  -7.306
  574   HG23  VAL  59          HG23      VAL  59   6.256  -1.806  -6.412
  575    H    LEU  60           H        LEU  60   4.597  -5.051  -2.988
  576    HA   LEU  60           HA       LEU  60   2.922  -3.908  -1.001
  577    HB2  LEU  60           HB2      LEU  60   4.208  -6.663  -1.229
  578    HB3  LEU  60           HB3      LEU  60   3.028  -6.264   0.012
  579    HG   LEU  60           HG       LEU  60   2.413  -6.048  -2.968
  580   HD11  LEU  60          HD11      LEU  60   1.765  -8.297  -1.016
  581   HD12  LEU  60          HD12      LEU  60   2.961  -8.386  -2.333
  582   HD13  LEU  60          HD13      LEU  60   1.243  -8.189  -2.710
  583   HD21  LEU  60          HD21      LEU  60   0.077  -6.132  -2.207
  584   HD22  LEU  60          HD22      LEU  60   0.904  -4.725  -1.526
  585   HD23  LEU  60          HD23      LEU  60   0.612  -6.152  -0.511
  586    H    PHE  61           H        PHE  61   6.290  -5.220  -0.611
  587    HA   PHE  61           HA       PHE  61   6.486  -4.659   2.125
  588    HB2  PHE  61           HB2      PHE  61   8.145  -6.035   1.264
  589    HB3  PHE  61           HB3      PHE  61   8.563  -4.905  -0.001
  590    HD1  PHE  61           HD1      PHE  61   8.907  -5.585   3.629
  591    HD2  PHE  61           HD2      PHE  61  10.131  -3.090   0.328
  592    HE1  PHE  61           HE1      PHE  61  10.705  -4.604   5.034
  593    HE2  PHE  61           HE2      PHE  61  11.930  -2.121   1.732
  594    HZ   PHE  61           HZ       PHE  61  12.218  -2.870   4.087
  595    H    TYR  62           H        TYR  62   7.654  -2.433  -0.418
  596    HA   TYR  62           HA       TYR  62   8.208  -0.341   1.417
  597    HB2  TYR  62           HB2      TYR  62   7.789  -0.426  -1.538
  598    HB3  TYR  62           HB3      TYR  62   8.087   1.101  -0.710
  599    HD1  TYR  62           HD1      TYR  62  10.219   0.941   1.025
  600    HD2  TYR  62           HD2      TYR  62   9.626  -1.400  -2.549
  601    HE1  TYR  62           HE1      TYR  62  12.683   0.672   0.786
  602    HE2  TYR  62           HE2      TYR  62  12.071  -1.725  -2.745
  603    HH   TYR  62           HH       TYR  62  14.142  -1.296  -1.827
  604    H    LEU  63           H        LEU  63   5.183  -0.942  -0.359
  605    HA   LEU  63           HA       LEU  63   3.862   1.458   0.442
  606    HB2  LEU  63           HB2      LEU  63   3.165   0.095  -1.448
  607    HB3  LEU  63           HB3      LEU  63   2.864  -1.288  -0.393
  608    HG   LEU  63           HG       LEU  63   0.974  -0.152   0.663
  609   HD11  LEU  63          HD11      LEU  63   1.643   2.197   0.524
  610   HD12  LEU  63          HD12      LEU  63   0.112   1.971  -0.324
  611   HD13  LEU  63          HD13      LEU  63   1.613   2.128  -1.258
  612   HD21  LEU  63          HD21      LEU  63  -0.518  -0.121  -1.292
  613   HD22  LEU  63          HD22      LEU  63   0.624  -1.469  -1.405
  614   HD23  LEU  63          HD23      LEU  63   0.875  -0.008  -2.382
  615    H    GLY  64           H        GLY  64   3.856  -1.838   1.933
  616    HA2  GLY  64           HA2      GLY  64   2.134  -1.187   4.131
  617    HA3  GLY  64           HA3      GLY  64   3.306  -2.505   4.065
  618    H    GLN  65           H        GLN  65   5.723  -1.096   3.821
  619    HA   GLN  65           HA       GLN  65   6.243  -0.194   6.500
  620    HB2  GLN  65           HB2      GLN  65   7.803   0.097   3.909
  621    HB3  GLN  65           HB3      GLN  65   8.423   0.610   5.474
  622    HG2  GLN  65           HG2      GLN  65   7.547  -2.252   4.859
  623    HG3  GLN  65           HG3      GLN  65   9.198  -1.672   4.721
  624   HE21  GLN  65          HE21      GLN  65   7.575  -3.642   6.616
  625   HE22  GLN  65          HE22      GLN  65   8.295  -3.222   8.162
  626    H    TYR  66           H        TYR  66   5.405   1.631   3.512
  627    HA   TYR  66           HA       TYR  66   5.662   4.214   4.718
  628    HB2  TYR  66           HB2      TYR  66   5.715   4.139   2.380
  629    HB3  TYR  66           HB3      TYR  66   4.218   3.248   2.286
  630    HD1  TYR  66           HD2      TYR  66   2.007   4.340   2.666
  631    HD2  TYR  66           HD1      TYR  66   5.696   6.573   2.610
  632    HE1  TYR  66           HE2      TYR  66   0.726   6.451   2.392
  633    HE2  TYR  66           HE1      TYR  66   4.417   8.679   2.295
  634    HH   TYR  66           HH       TYR  66   0.835   8.734   2.180
  635    H    ILE  67           H        ILE  67   2.773   2.179   4.310
  636    HA   ILE  67           HA       ILE  67   0.938   3.870   5.654
  637    HB   ILE  67           HB       ILE  67   1.007   0.841   5.369
  638   HG12  ILE  67          HG12      ILE  67  -0.715   2.806   3.813
  639   HG13  ILE  67          HG13      ILE  67   0.898   2.394   3.262
  640   HG21  ILE  67          HG21      ILE  67  -1.347   2.620   6.129
  641   HG22  ILE  67          HG22      ILE  67  -1.437   0.889   5.811
  642   HG23  ILE  67          HG23      ILE  67  -0.547   1.465   7.213
  643   HD11  ILE  67          HD11      ILE  67  -1.371   0.405   3.620
  644   HD12  ILE  67          HD12      ILE  67  -0.718   1.028   2.099
  645   HD13  ILE  67          HD13      ILE  67   0.293   0.004   3.133
  646    H    MET  68           H        MET  68   3.044   1.314   6.966
  647    HA   MET  68           HA       MET  68   2.231   1.521   9.690
  648    HB2  MET  68           HB2      MET  68   3.441  -0.393   8.693
  649    HB3  MET  68           HB3      MET  68   4.878   0.625   8.531
  650    HG2  MET  68           HG2      MET  68   3.953   0.821  11.261
  651    HG3  MET  68           HG3      MET  68   3.926  -0.875  10.819
  652    HE1  MET  68           HE1      MET  68   7.602  -1.653   9.879
  653    HE2  MET  68           HE2      MET  68   6.002  -2.327  10.254
  654    HE3  MET  68           HE3      MET  68   6.213  -1.287   8.829
  655    H    THR  69           H        THR  69   5.151   2.962   8.063
  656    HA   THR  69           HA       THR  69   5.936   4.327  10.433
  657    HB   THR  69           HB       THR  69   7.408   3.585   8.504
  658    HG1  THR  69           HG1      THR  69   8.313   4.642  10.172
  659   HG21  THR  69          HG21      THR  69   7.972   5.211   6.826
  660   HG22  THR  69          HG22      THR  69   6.852   6.416   7.500
  661   HG23  THR  69          HG23      THR  69   6.225   4.941   6.731
  662    H    LYS  70           H        LYS  70   3.948   5.486   7.767
  663    HA   LYS  70           HA       LYS  70   3.646   8.177   8.918
  664    HB2  LYS  70           HB2      LYS  70   2.139   6.700   6.726
  665    HB3  LYS  70           HB3      LYS  70   1.868   8.380   7.150
  666    HG2  LYS  70           HG2      LYS  70   4.445   7.199   6.023
  667    HG3  LYS  70           HG3      LYS  70   3.254   8.147   5.148
  668    HD2  LYS  70           HD2      LYS  70   5.019   9.160   7.417
  669    HD3  LYS  70           HD3      LYS  70   5.232   9.468   5.692
  670    HE2  LYS  70           HE2      LYS  70   3.014  10.604   5.617
  671    HE3  LYS  70           HE3      LYS  70   2.828  10.344   7.356
  672    HZ1  LYS  70           HZ1      LYS  70   4.989  11.952   6.096
  673    HZ2  LYS  70           HZ2      LYS  70   4.823  11.709   7.703
  674    HZ3  LYS  70           HZ3      LYS  70   3.698  12.560   6.885
  675    H    ARG  71           H        ARG  71   2.514   5.236   9.939
  676    HA   ARG  71           HA       ARG  71   0.886   4.473  11.297
  677    HB2  ARG  71           HB2      ARG  71   0.942   7.256  12.511
  678    HB3  ARG  71           HB3      ARG  71   0.427   5.749  13.273
  679    HG2  ARG  71           HG2      ARG  71   2.853   4.904  12.789
  680    HG3  ARG  71           HG3      ARG  71   3.230   6.606  12.488
  681    HD2  ARG  71           HD2      ARG  71   3.787   6.202  14.760
  682    HD3  ARG  71           HD3      ARG  71   2.262   7.109  14.793
  683    HE   ARG  71           HE       ARG  71   1.955   4.185  14.786
  684   HH11  ARG  71          HH11      ARG  71   2.278   6.906  16.976
  685   HH12  ARG  71          HH12      ARG  71   1.569   6.018  18.297
  686   HH21  ARG  71          HH21      ARG  71   1.141   3.131  16.443
  687   HH22  ARG  71          HH22      ARG  71   0.929   3.899  18.001
  688    H    LEU  72           H        LEU  72  -0.192   4.926   8.934
  689    HA   LEU  72           HA       LEU  72  -2.575   6.612   9.055
  690    HB2  LEU  72           HB2      LEU  72  -1.752   4.537   7.010
  691    HB3  LEU  72           HB3      LEU  72  -3.003   5.752   6.796
  692    HG   LEU  72           HG       LEU  72  -0.023   6.286   7.122
  693   HD11  LEU  72          HD11      LEU  72  -0.672   5.300   4.942
  694   HD12  LEU  72          HD12      LEU  72  -0.094   6.968   4.787
  695   HD13  LEU  72          HD13      LEU  72  -1.838   6.620   4.707
  696   HD21  LEU  72          HD21      LEU  72  -2.330   8.208   6.604
  697   HD22  LEU  72          HD22      LEU  72  -0.607   8.625   6.474
  698   HD23  LEU  72          HD23      LEU  72  -1.280   8.173   8.043
  699    H    TYR  73           H        TYR  73  -2.037   3.594  10.400
  700    HA   TYR  73           HA       TYR  73  -4.617   2.431   9.934
  701    HB2  TYR  73           HB2      TYR  73  -4.013   0.916  11.856
  702    HB3  TYR  73           HB3      TYR  73  -3.041   0.868  10.398
  703    HD1  TYR  73           HD2      TYR  73  -3.114   2.054  13.913
  704    HD2  TYR  73           HD1      TYR  73  -0.677   1.442  10.401
  705    HE1  TYR  73           HE2      TYR  73  -1.061   2.433  15.270
  706    HE2  TYR  73           HE1      TYR  73   1.376   1.819  11.772
  707    HH   TYR  73           HH       TYR  73   2.202   1.975  13.930
  708    H    ASP  74           H        ASP  74  -6.411   2.140  11.257
  709    HA   ASP  74           HA       ASP  74  -7.248   4.299  12.924
  710    HB2  ASP  74           HB2      ASP  74  -8.851   2.972  11.777
  711    HB3  ASP  74           HB3      ASP  74  -8.244   1.499  12.480
  712    H    GLU  75           H        GLU  75  -7.251   4.671  15.091
  713    HA   GLU  75           HA       GLU  75  -5.310   3.352  16.783
  714    HB2  GLU  75           HB2      GLU  75  -6.126   4.829  18.518
  715    HB3  GLU  75           HB3      GLU  75  -5.825   5.712  17.018
  716    HG2  GLU  75           HG2      GLU  75  -8.288   5.685  16.549
  717    HG3  GLU  75           HG3      GLU  75  -8.551   4.868  18.094
  718    H    LYS  76           H        LYS  76  -8.744   2.817  16.220
  719    HA   LYS  76           HA       LYS  76  -9.005   0.998  18.551
  720    HB2  LYS  76           HB2      LYS  76 -11.015   1.509  16.330
  721    HB3  LYS  76           HB3      LYS  76 -11.300   0.675  17.842
  722    HG2  LYS  76           HG2      LYS  76 -10.684   3.635  17.458
  723    HG3  LYS  76           HG3      LYS  76 -12.230   2.922  17.881
  724    HD2  LYS  76           HD2      LYS  76  -9.735   2.943  19.641
  725    HD3  LYS  76           HD3      LYS  76 -11.154   3.977  19.815
  726    HE2  LYS  76           HE2      LYS  76 -12.577   1.961  20.189
  727    HE3  LYS  76           HE3      LYS  76 -11.140   0.935  20.076
  728    HZ1  LYS  76           HZ1      LYS  76 -11.680   1.443  22.385
  729    HZ2  LYS  76           HZ2      LYS  76 -11.569   3.048  22.123
  730    HZ3  LYS  76           HZ3      LYS  76 -10.236   2.107  22.018
  731    H    GLN  77           H        GLN  77  -9.484   0.505  14.999
  732    HA   GLN  77           HA       GLN  77  -8.779  -2.368  15.376
  733    HB2  GLN  77           HB2      GLN  77  -9.946  -0.878  12.996
  734    HB3  GLN  77           HB3      GLN  77  -9.617  -2.603  13.065
  735    HG2  GLN  77           HG2      GLN  77 -11.673  -1.060  14.683
  736    HG3  GLN  77           HG3      GLN  77 -11.968  -2.262  13.427
  737   HE21  GLN  77          HE21      GLN  77 -10.714  -4.529  14.013
  738   HE22  GLN  77          HE22      GLN  77 -10.964  -5.015  15.687
  739    H    GLN  78           H        GLN  78  -6.658  -2.806  15.291
  740    HA   GLN  78           HA       GLN  78  -4.745  -1.244  13.811
  741    HB2  GLN  78           HB2      GLN  78  -3.104  -2.767  14.682
  742    HB3  GLN  78           HB3      GLN  78  -4.227  -2.312  15.946
  743    HG2  GLN  78           HG2      GLN  78  -4.809  -4.454  16.352
  744    HG3  GLN  78           HG3      GLN  78  -5.170  -4.770  14.659
  745   HE21  GLN  78          HE21      GLN  78  -3.068  -4.941  13.227
  746   HE22  GLN  78          HE22      GLN  78  -1.729  -5.845  13.958
  747    H    HIS  79           H        HIS  79  -6.817  -2.428  12.152
  748    HA   HIS  79           HA       HIS  79  -5.136  -3.561  10.004
  749    HB2  HIS  79           HB2      HIS  79  -6.681  -5.369   9.552
  750    HB3  HIS  79           HB3      HIS  79  -6.117  -5.478  11.220
  751    HD1  HIS  79           HD1      HIS  79  -9.292  -4.227   9.335
  752    HD2  HIS  79           HD2      HIS  79  -7.966  -5.742  13.036
  753    HE1  HIS  79           HE1      HIS  79 -11.376  -4.542  10.769
  754    H    ILE  80           H        ILE  80  -7.534  -1.301  10.958
  755    HA   ILE  80           HA       ILE  80  -8.552  -0.968   8.173
  756    HB   ILE  80           HB       ILE  80  -9.367   0.428  10.741
  757   HG12  ILE  80          HG12      ILE  80 -10.761  -1.674   9.021
  758   HG13  ILE  80          HG13      ILE  80 -10.123  -1.900  10.648
  759   HG21  ILE  80          HG21      ILE  80  -9.553   1.940   8.770
  760   HG22  ILE  80          HG22      ILE  80 -10.502   0.702   7.917
  761   HG23  ILE  80          HG23      ILE  80 -11.131   1.494   9.377
  762   HD11  ILE  80          HD11      ILE  80 -11.786  -0.196  11.485
  763   HD12  ILE  80          HD12      ILE  80 -12.532  -0.232   9.867
  764   HD13  ILE  80          HD13      ILE  80 -12.481  -1.702  10.849
  765    H    VAL  81           H        VAL  81  -7.855   0.696   6.919
  766    HA   VAL  81           HA       VAL  81  -5.690   2.481   7.973
  767    HB   VAL  81           HB       VAL  81  -5.883   1.191   5.238
  768   HG11  VAL  81          HG11      VAL  81  -3.776   3.050   6.428
  769   HG12  VAL  81          HG12      VAL  81  -3.607   2.166   4.894
  770   HG13  VAL  81          HG13      VAL  81  -4.847   3.408   5.053
  771   HG21  VAL  81          HG21      VAL  81  -3.815   0.004   5.881
  772   HG22  VAL  81          HG22      VAL  81  -3.917   0.706   7.513
  773   HG23  VAL  81          HG23      VAL  81  -5.158  -0.430   6.936
  774    H    TYR  82           H        TYR  82  -5.934   4.571   7.667
  775    HA   TYR  82           HA       TYR  82  -8.158   5.534   5.983
  776    HB2  TYR  82           HB2      TYR  82  -6.980   6.686   8.470
  777    HB3  TYR  82           HB3      TYR  82  -7.870   7.678   7.324
  778    HD1  TYR  82           HD2      TYR  82  -8.149   4.697   9.545
  779    HD2  TYR  82           HD1      TYR  82 -10.259   7.550   7.087
  780    HE1  TYR  82           HE2      TYR  82 -10.314   3.856  10.428
  781    HE2  TYR  82           HE1      TYR  82 -12.429   6.717   7.992
  782    HH   TYR  82           HH       TYR  82 -12.601   4.085  10.418
  783    H    CYS  83           H        CYS  83  -8.072   6.960   4.425
  784    HA   CYS  83           HA       CYS  83  -5.537   8.190   3.611
  785    HB2  CYS  83           HB2      CYS  83  -5.585   6.975   1.421
  786    HB3  CYS  83           HB3      CYS  83  -5.139   6.022   2.829
  787    HG   CYS  83           HG       CYS  83  -7.967   6.083   1.120
  788    H    SER  84           H        SER  84  -7.890   9.473   4.401
  789    HA   SER  84           HA       SER  84  -9.501  10.217   2.112
  790    HB2  SER  84           HB2      SER  84 -10.360  10.316   4.399
  791    HB3  SER  84           HB3      SER  84  -9.192  11.595   4.794
  792    HG   SER  84           HG       SER  84 -11.266  12.422   4.197
  793    H    ASN  85           H        ASN  85  -8.964  11.477   0.501
  794    HA   ASN  85           HA       ASN  85  -8.006  13.011  -0.834
  795    HB2  ASN  85           HB2      ASN  85  -8.337  14.696   1.666
  796    HB3  ASN  85           HB3      ASN  85  -8.116  15.338   0.042
  797   HD21  ASN  85          HD21      ASN  85 -10.395  15.759   1.832
  798   HD22  ASN  85          HD22      ASN  85 -11.782  15.177   0.922
  799    H    ASP  86           H        ASP  86  -5.968  11.353   0.375
  800    HA   ASP  86           HA       ASP  86  -3.618  13.176   0.081
  801    HB2  ASP  86           HB2      ASP  86  -2.372  11.767   1.650
  802    HB3  ASP  86           HB3      ASP  86  -3.744  12.591   2.369
  803    H    LEU  87           H        LEU  87  -1.537  11.677  -0.275
  804    HA   LEU  87           HA       LEU  87  -1.625  10.776  -2.940
  805    HB2  LEU  87           HB2      LEU  87   0.392  11.528  -1.824
  806    HB3  LEU  87           HB3      LEU  87   0.311  10.190  -0.677
  807    HG   LEU  87           HG       LEU  87   0.769   8.564  -2.477
  808   HD11  LEU  87          HD11      LEU  87   1.509   9.374  -4.705
  809   HD12  LEU  87          HD12      LEU  87   0.990  11.023  -4.271
  810   HD13  LEU  87          HD13      LEU  87  -0.199   9.708  -4.419
  811   HD21  LEU  87          HD21      LEU  87   3.104   9.265  -2.926
  812   HD22  LEU  87          HD22      LEU  87   2.639   9.553  -1.240
  813   HD23  LEU  87          HD23      LEU  87   2.707  10.911  -2.386
  814    H    LEU  88           H        LEU  88  -1.994   8.851   0.057
  815    HA   LEU  88           HA       LEU  88  -2.023   6.308  -1.334
  816    HB2  LEU  88           HB2      LEU  88  -1.314   6.610   1.036
  817    HB3  LEU  88           HB3      LEU  88  -2.973   7.035   1.462
  818    HG   LEU  88           HG       LEU  88  -3.732   4.763   0.737
  819   HD11  LEU  88          HD11      LEU  88  -2.047   4.139  -0.912
  820   HD12  LEU  88          HD12      LEU  88  -1.905   3.024   0.445
  821   HD13  LEU  88          HD13      LEU  88  -0.739   4.341   0.280
  822   HD21  LEU  88          HD21      LEU  88  -2.739   3.526   2.594
  823   HD22  LEU  88          HD22      LEU  88  -3.099   5.190   3.088
  824   HD23  LEU  88          HD23      LEU  88  -1.428   4.726   2.711
  825    H    GLY  89           H        GLY  89  -4.533   8.586  -0.244
  826    HA2  GLY  89           HA2      GLY  89  -6.848   7.098  -1.012
  827    HA3  GLY  89           HA3      GLY  89  -6.701   8.863  -0.938
  828    H    ASP  90           H        ASP  90  -4.766   9.335  -2.891
  829    HA   ASP  90           HA       ASP  90  -6.266   9.108  -5.343
  830    HB2  ASP  90           HB2      ASP  90  -3.463  10.070  -4.740
  831    HB3  ASP  90           HB3      ASP  90  -4.119   9.999  -6.372
  832    H    LEU  91           H        LEU  91  -3.805   7.085  -3.962
  833    HA   LEU  91           HA       LEU  91  -3.444   5.410  -6.326
  834    HB2  LEU  91           HB2      LEU  91  -2.695   5.233  -3.390
  835    HB3  LEU  91           HB3      LEU  91  -2.431   3.873  -4.471
  836    HG   LEU  91           HG       LEU  91  -1.231   6.640  -4.936
  837   HD11  LEU  91          HD11      LEU  91  -0.081   4.173  -3.638
  838   HD12  LEU  91          HD12      LEU  91  -0.403   5.751  -2.899
  839   HD13  LEU  91          HD13      LEU  91   0.848   5.613  -4.143
  840   HD21  LEU  91          HD21      LEU  91  -0.621   3.896  -6.136
  841   HD22  LEU  91          HD22      LEU  91   0.232   5.419  -6.478
  842   HD23  LEU  91          HD23      LEU  91  -1.433   5.219  -6.998
  843    H    PHE  92           H        PHE  92  -5.014   4.722  -3.131
  844    HA   PHE  92           HA       PHE  92  -6.246   2.381  -4.260
  845    HB2  PHE  92           HB2      PHE  92  -6.360   3.574  -1.514
  846    HB3  PHE  92           HB3      PHE  92  -7.400   2.244  -1.982
  847    HD1  PHE  92           HD1      PHE  92  -6.018   0.328  -3.414
  848    HD2  PHE  92           HD2      PHE  92  -4.535   2.783  -0.221
  849    HE1  PHE  92           HE1      PHE  92  -4.277  -1.397  -2.912
  850    HE2  PHE  92           HE2      PHE  92  -2.863   1.028   0.343
  851    HZ   PHE  92           HZ       PHE  92  -2.729  -1.048  -1.019
  852    H    GLY  93           H        GLY  93  -7.442   5.580  -4.224
  853    HA2  GLY  93           HA2      GLY  93  -9.309   6.401  -5.281
  854    HA3  GLY  93           HA3      GLY  93  -9.790   4.761  -5.729
  855    H    VAL  94           H        VAL  94  -9.233   5.437  -2.343
  856    HA   VAL  94           HA       VAL  94 -12.116   5.767  -1.710
  857    HB   VAL  94           HB       VAL  94 -11.847   3.964   0.065
  858   HG11  VAL  94          HG11      VAL  94 -11.794   2.985  -2.802
  859   HG12  VAL  94          HG12      VAL  94 -12.446   2.130  -1.390
  860   HG13  VAL  94          HG13      VAL  94 -13.211   3.635  -1.934
  861   HG21  VAL  94          HG21      VAL  94  -9.546   2.981  -1.657
  862   HG22  VAL  94          HG22      VAL  94  -9.374   3.665  -0.022
  863   HG23  VAL  94          HG23      VAL  94 -10.266   2.158  -0.270
  864    HA   PRO  95           HA       PRO  95 -10.323   8.174   1.640
  865    HB2  PRO  95           HB2      PRO  95 -12.385   8.291   3.420
  866    HB3  PRO  95           HB3      PRO  95 -12.457   9.096   1.823
  867    HG2  PRO  95           HG2      PRO  95 -13.569   6.357   2.566
  868    HG3  PRO  95           HG3      PRO  95 -14.425   7.709   1.754
  869    HD2  PRO  95           HD2      PRO  95 -13.311   5.679   0.355
  870    HD3  PRO  95           HD3      PRO  95 -13.253   7.355  -0.262
  871    H    SER  96           H        SER  96 -11.449   4.891   2.184
  872    HA   SER  96           HA       SER  96  -9.283   4.326   4.002
  873    HB2  SER  96           HB2      SER  96 -10.635   3.537   5.893
  874    HB3  SER  96           HB3      SER  96 -10.873   5.268   5.629
  875    HG   SER  96           HG       SER  96 -12.856   4.178   5.979
  876    H    PHE  97           H        PHE  97  -9.157   2.010   4.537
  877    HA   PHE  97           HA       PHE  97 -10.989   0.119   3.224
  878    HB2  PHE  97           HB2      PHE  97  -9.386  -0.898   1.789
  879    HB3  PHE  97           HB3      PHE  97  -9.320   0.805   1.421
  880    HD1  PHE  97           HD1      PHE  97  -7.308   2.175   2.106
  881    HD2  PHE  97           HD2      PHE  97  -7.509  -2.089   2.718
  882    HE1  PHE  97           HE1      PHE  97  -4.844   2.097   2.428
  883    HE2  PHE  97           HE2      PHE  97  -5.053  -2.142   3.066
  884    HZ   PHE  97           HZ       PHE  97  -3.723  -0.099   2.921
  885    H    SER  98           H        SER  98 -10.014  -2.220   3.724
  886    HA   SER  98           HA       SER  98  -8.632  -2.214   6.373
  887    HB2  SER  98           HB2      SER  98 -11.024  -2.447   6.768
  888    HB3  SER  98           HB3      SER  98 -11.086  -3.826   5.654
  889    HG   SER  98           HG       SER  98 -10.911  -4.538   7.772
  890    H    VAL  99           H        VAL  99  -7.047  -3.529   6.610
  891    HA   VAL  99           HA       VAL  99  -6.241  -5.420   4.562
  892    HB   VAL  99           HB       VAL  99  -4.794  -5.252   7.161
  893   HG11  VAL  99          HG11      VAL  99  -3.976  -6.785   5.327
  894   HG12  VAL  99          HG12      VAL  99  -3.839  -5.361   4.262
  895   HG13  VAL  99          HG13      VAL  99  -2.827  -5.501   5.704
  896   HG21  VAL  99          HG21      VAL  99  -5.084  -2.875   6.678
  897   HG22  VAL  99          HG22      VAL  99  -3.437  -3.364   6.306
  898   HG23  VAL  99          HG23      VAL  99  -4.599  -3.135   4.991
  899    H    LYS 100           H        LYS 100  -8.501  -5.734   6.910
  900    HA   LYS 100           HA       LYS 100  -8.174  -8.518   7.652
  901    HB2  LYS 100           HB2      LYS 100  -9.679  -6.795   8.756
  902    HB3  LYS 100           HB3      LYS 100 -10.698  -6.835   7.325
  903    HG2  LYS 100           HG2      LYS 100 -11.749  -8.158   9.004
  904    HG3  LYS 100           HG3      LYS 100 -11.200  -9.239   7.743
  905    HD2  LYS 100           HD2      LYS 100 -10.775 -10.241   9.919
  906    HD3  LYS 100           HD3      LYS 100  -9.248  -9.897   9.125
  907    HE2  LYS 100           HE2      LYS 100  -9.030  -9.295  11.447
  908    HE3  LYS 100           HE3      LYS 100  -9.020  -7.810  10.499
  909    HZ1  LYS 100           HZ1      LYS 100 -10.454  -7.499  12.361
  910    HZ2  LYS 100           HZ2      LYS 100 -11.294  -8.881  12.085
  911    HZ3  LYS 100           HZ3      LYS 100 -11.437  -7.599  11.075
  912    H    GLU 101           H        GLU 101  -9.362  -6.902   4.774
  913    HA   GLU 101           HA       GLU 101 -10.251  -9.499   3.587
  914    HB2  GLU 101           HB2      GLU 101 -11.766  -8.155   2.190
  915    HB3  GLU 101           HB3      GLU 101 -12.178  -8.242   3.897
  916    HG2  GLU 101           HG2      GLU 101 -11.461  -5.989   4.316
  917    HG3  GLU 101           HG3      GLU 101 -10.725  -5.845   2.718
  918    H    HIS 102           H        HIS 102  -7.979  -9.799   3.073
  919    HA   HIS 102           HA       HIS 102  -6.405  -8.327   1.357
  920    HB2  HIS 102           HB2      HIS 102  -6.706 -11.352   1.285
  921    HB3  HIS 102           HB3      HIS 102  -5.292 -10.430   0.816
  922    HD1  HIS 102           HD1      HIS 102  -4.395  -8.823   3.180
  923    HD2  HIS 102           HD2      HIS 102  -6.366 -12.515   3.556
  924    HE1  HIS 102           HE1      HIS 102  -3.751  -9.742   5.464
  925    H    ARG 103           H        ARG 103  -9.102 -10.417   0.369
  926    HA   ARG 103           HA       ARG 103  -8.838 -10.473  -2.423
  927    HB2  ARG 103           HB2      ARG 103 -11.296 -10.798  -2.472
  928    HB3  ARG 103           HB3      ARG 103 -10.516 -11.755  -1.240
  929    HG2  ARG 103           HG2      ARG 103 -12.247 -11.083   0.020
  930    HG3  ARG 103           HG3      ARG 103 -11.210  -9.706   0.357
  931    HD2  ARG 103           HD2      ARG 103 -12.415  -8.477  -1.536
  932    HD3  ARG 103           HD3      ARG 103 -13.499  -9.853  -1.652
  933    HE   ARG 103           HE       ARG 103 -13.335  -7.848   0.552
  934   HH11  ARG 103          HH11      ARG 103 -14.972 -10.787  -0.503
  935   HH12  ARG 103          HH12      ARG 103 -16.279 -10.510   0.615
  936   HH21  ARG 103          HH21      ARG 103 -14.888  -7.602   1.865
  937   HH22  ARG 103          HH22      ARG 103 -16.249  -8.725   1.967
  938    H    LYS 104           H        LYS 104  -9.985  -7.734  -0.499
  939    HA   LYS 104           HA       LYS 104 -10.850  -6.219  -2.886
  940    HB2  LYS 104           HB2      LYS 104 -12.029  -6.058  -0.719
  941    HB3  LYS 104           HB3      LYS 104 -10.576  -5.403   0.043
  942    HG2  LYS 104           HG2      LYS 104 -10.652  -3.428  -1.417
  943    HG3  LYS 104           HG3      LYS 104 -12.047  -4.077  -2.288
  944    HD2  LYS 104           HD2      LYS 104 -12.019  -3.451   0.695
  945    HD3  LYS 104           HD3      LYS 104 -12.554  -2.307  -0.543
  946    HE2  LYS 104           HE2      LYS 104 -14.381  -3.732  -1.224
  947    HE3  LYS 104           HE3      LYS 104 -13.788  -5.074  -0.235
  948    HZ1  LYS 104           HZ1      LYS 104 -14.216  -3.816   1.741
  949    HZ2  LYS 104           HZ2      LYS 104 -15.597  -3.908   0.871
  950    HZ3  LYS 104           HZ3      LYS 104 -14.748  -2.506   0.892
  951    H    ILE 105           H        ILE 105  -8.079  -6.210  -0.652
  952    HA   ILE 105           HA       ILE 105  -6.764  -3.944  -1.871
  953    HB   ILE 105           HB       ILE 105  -5.677  -6.209  -0.171
  954   HG12  ILE 105          HG12      ILE 105  -6.311  -3.290   0.494
  955   HG13  ILE 105          HG13      ILE 105  -7.385  -4.642   0.855
  956   HG21  ILE 105          HG21      ILE 105  -4.313  -3.627  -1.084
  957   HG22  ILE 105          HG22      ILE 105  -3.675  -4.717   0.156
  958   HG23  ILE 105          HG23      ILE 105  -3.816  -5.287  -1.491
  959   HD11  ILE 105          HD11      ILE 105  -5.607  -5.665   2.280
  960   HD12  ILE 105          HD12      ILE 105  -4.648  -4.170   2.067
  961   HD13  ILE 105          HD13      ILE 105  -6.228  -4.105   2.844
  962    H    TYR 106           H        TYR 106  -6.451  -7.504  -2.475
  963    HA   TYR 106           HA       TYR 106  -4.353  -7.290  -4.298
  964    HB2  TYR 106           HB2      TYR 106  -6.589  -9.317  -4.201
  965    HB3  TYR 106           HB3      TYR 106  -5.194  -9.448  -5.252
  966    HD1  TYR 106           HD2      TYR 106  -2.952  -8.565  -3.332
  967    HD2  TYR 106           HD1      TYR 106  -6.317 -11.242  -2.904
  968    HE1  TYR 106           HE2      TYR 106  -1.724  -9.832  -1.594
  969    HE2  TYR 106           HE1      TYR 106  -5.034 -12.552  -1.206
  970    HH   TYR 106           HH       TYR 106  -1.701 -11.752  -0.300
  971    H    THR 107           H        THR 107  -7.802  -7.014  -5.159
  972    HA   THR 107           HA       THR 107  -7.229  -6.663  -7.947
  973    HB   THR 107           HB       THR 107  -9.437  -7.379  -6.877
  974    HG1  THR 107           HG1      THR 107 -10.455  -6.696  -8.749
  975   HG21  THR 107          HG21      THR 107  -9.871  -5.306  -5.564
  976   HG22  THR 107          HG22      THR 107 -11.151  -5.664  -6.726
  977   HG23  THR 107          HG23      THR 107  -9.975  -4.380  -7.078
  978    H    MET 108           H        MET 108  -7.378  -4.310  -5.333
  979    HA   MET 108           HA       MET 108  -7.130  -2.017  -7.118
  980    HB2  MET 108           HB2      MET 108  -6.584  -2.238  -4.139
  981    HB3  MET 108           HB3      MET 108  -6.652  -0.755  -5.116
  982    HG2  MET 108           HG2      MET 108  -8.999  -1.296  -5.737
  983    HG3  MET 108           HG3      MET 108  -8.966  -2.656  -4.625
  984    HE1  MET 108           HE1      MET 108  -7.313  -1.335  -2.047
  985    HE2  MET 108           HE2      MET 108  -8.735  -0.825  -1.113
  986    HE3  MET 108           HE3      MET 108  -8.735  -2.392  -1.954
  987    H    MET 109           H        MET 109  -4.787  -4.062  -5.322
  988    HA   MET 109           HA       MET 109  -2.434  -2.574  -6.093
  989    HB2  MET 109           HB2      MET 109  -2.848  -5.493  -5.325
  990    HB3  MET 109           HB3      MET 109  -1.270  -4.801  -5.676
  991    HG2  MET 109           HG2      MET 109  -3.145  -3.936  -3.456
  992    HG3  MET 109           HG3      MET 109  -1.680  -4.884  -3.272
  993    HE1  MET 109           HE1      MET 109   1.107  -2.150  -4.048
  994    HE2  MET 109           HE2      MET 109   0.838  -3.864  -3.697
  995    HE3  MET 109           HE3      MET 109   0.388  -3.192  -5.282
  996    H    ALA 110           H        ALA 110  -4.170  -5.308  -7.669
  997    HA   ALA 110           HA       ALA 110  -2.479  -5.515  -9.952
  998    HB1  ALA 110           HB1      ALA 110  -4.492  -6.565 -10.979
  999    HB2  ALA 110           HB2      ALA 110  -4.185  -7.172  -9.339
 1000    HB3  ALA 110           HB3      ALA 110  -5.477  -5.989  -9.624
 1001    H    SER 111           H        SER 111  -5.207  -3.291  -9.281
 1002    HA   SER 111           HA       SER 111  -5.150  -1.958 -11.838
 1003    HB2  SER 111           HB2      SER 111  -6.250  -1.024  -9.159
 1004    HB3  SER 111           HB3      SER 111  -6.531  -0.244 -10.719
 1005    HG   SER 111           HG       SER 111  -7.321  -2.862  -9.924
 1006    H    MET 112           H        MET 112  -2.804  -1.801  -9.379
 1007    HA   MET 112           HA       MET 112  -1.873   0.898 -10.199
 1008    HB2  MET 112           HB2      MET 112  -0.807  -0.985  -8.075
 1009    HB3  MET 112           HB3      MET 112  -0.150   0.603  -8.479
 1010    HG2  MET 112           HG2      MET 112  -2.242   1.699  -7.859
 1011    HG3  MET 112           HG3      MET 112  -2.987   0.137  -7.534
 1012    HE1  MET 112           HE1      MET 112  -2.931   1.358  -3.956
 1013    HE2  MET 112           HE2      MET 112  -3.516   2.019  -5.502
 1014    HE3  MET 112           HE3      MET 112  -3.757   0.300  -5.128
 1015    H    THR 113           H        THR 113  -1.525  -2.220 -11.347
 1016    HA   THR 113           HA       THR 113   1.026  -1.533 -12.695
 1017    HB   THR 113           HB       THR 113   2.063  -3.507 -12.362
 1018    HG1  THR 113           HG1      THR 113   1.030  -5.373 -11.650
 1019   HG21  THR 113          HG21      THR 113   1.995  -4.116  -9.980
 1020   HG22  THR 113          HG22      THR 113   0.471  -3.258  -9.767
 1021   HG23  THR 113          HG23      THR 113   1.951  -2.355 -10.167
 1022    H    GLY 114           H        GLY 114  -1.942  -3.424 -12.980
 1023    HA2  GLY 114           HA2      GLY 114  -1.689  -3.589 -15.937
 1024    HA3  GLY 114           HA3      GLY 114  -2.932  -4.322 -14.926
 1025    H    GLY 115           H        GLY 115  -4.000  -3.231 -16.972
 1026    HA2  GLY 115           HA2      GLY 115  -5.713  -1.799 -17.598
 1027    HA3  GLY 115           HA3      GLY 115  -5.577  -0.963 -16.056
 1028    H    GLN 116           H        GLN 116  -6.130   0.715 -17.897
 1029    HA   GLN 116           HA       GLN 116  -3.865   1.718 -19.434
 1030    HB2  GLN 116           HB2      GLN 116  -5.337   3.443 -20.183
 1031    HB3  GLN 116           HB3      GLN 116  -6.160   1.896 -20.293
 1032    HG2  GLN 116           HG2      GLN 116  -7.629   2.405 -18.487
 1033    HG3  GLN 116           HG3      GLN 116  -6.606   3.705 -17.882
 1034   HE21  GLN 116          HE21      GLN 116  -6.303   5.673 -19.399
 1035   HE22  GLN 116          HE22      GLN 116  -7.710   6.098 -20.372
 1036    H    GLN 117           H        GLN 117  -3.032   3.864 -19.317
 1037    HA   GLN 117           HA       GLN 117  -2.728   5.010 -16.582
 1038    HB2  GLN 117           HB2      GLN 117  -1.260   5.561 -19.193
 1039    HB3  GLN 117           HB3      GLN 117  -0.964   6.393 -17.658
 1040    HG2  GLN 117           HG2      GLN 117  -0.402   4.200 -16.593
 1041    HG3  GLN 117           HG3      GLN 117  -0.580   3.408 -18.160
 1042   HE21  GLN 117          HE21      GLN 117   1.802   2.987 -17.047
 1043   HE22  GLN 117          HE22      GLN 117   3.035   4.014 -17.770
 1044    H    MET 118           H        MET 118  -2.686   7.502 -16.595
 1045    HA   MET 118           HA       MET 118  -5.205   8.572 -17.545
 1046    HB2  MET 118           HB2      MET 118  -4.170   9.300 -15.445
 1047    HB3  MET 118           HB3      MET 118  -2.764   9.904 -16.320
 1048    HG2  MET 118           HG2      MET 118  -4.234  11.735 -15.688
 1049    HG3  MET 118           HG3      MET 118  -4.108  11.606 -17.432
 1050    HE1  MET 118           HE1      MET 118  -6.414   9.548 -14.827
 1051    HE2  MET 118           HE2      MET 118  -6.353  11.234 -14.260
 1052    HE3  MET 118           HE3      MET 118  -7.868  10.563 -14.901
 1053    H    GLY 119           H        GLY 119  -5.599  10.090 -19.148
 1054    HA2  GLY 119           HA2      GLY 119  -4.155   9.842 -21.625
 1055    HA3  GLY 119           HA3      GLY 119  -5.504  10.927 -21.302
  Start of MODEL   10
    1    H1   MET -11           H1       MET -11   5.102  -1.455  18.934
    2    H2   MET -11           H2       MET -11   6.546  -2.160  18.629
    3    H3   MET -11           H3       MET -11   5.222  -3.084  18.924
    4    HA   MET -11           HA       MET -11   5.587  -1.326  16.589
    5    HB2  MET -11           HB2      MET -11   5.596  -4.373  16.737
    6    HB3  MET -11           HB3      MET -11   5.586  -3.430  15.249
    7    HG2  MET -11           HG2      MET -11   7.783  -3.489  17.344
    8    HG3  MET -11           HG3      MET -11   7.839  -4.194  15.738
    9    HE1  MET -11           HE1      MET -11   6.812  -2.084  13.692
   10    HE2  MET -11           HE2      MET -11   8.297  -1.173  13.356
   11    HE3  MET -11           HE3      MET -11   8.364  -2.938  13.544
   12    HA   PRO -10           HA       PRO -10   1.156  -1.431  16.378
   13    HB2  PRO -10           HB2      PRO -10   0.677  -0.779  13.772
   14    HB3  PRO -10           HB3      PRO -10   1.331   0.380  14.964
   15    HG2  PRO -10           HG2      PRO -10   2.886  -1.278  12.948
   16    HG3  PRO -10           HG3      PRO -10   3.009   0.484  13.258
   17    HD2  PRO -10           HD2      PRO -10   4.728  -1.293  14.389
   18    HD3  PRO -10           HD3      PRO -10   4.157   0.143  15.291
   19    H    ARG  -9           H        ARG  -9  -0.503  -2.805  15.868
   20    HA   ARG  -9           HA       ARG  -9   0.097  -5.517  14.985
   21    HB2  ARG  -9           HB2      ARG  -9  -2.570  -4.139  15.509
   22    HB3  ARG  -9           HB3      ARG  -9  -2.336  -5.874  15.271
   23    HG2  ARG  -9           HG2      ARG  -9  -0.877  -5.952  17.291
   24    HG3  ARG  -9           HG3      ARG  -9  -1.161  -4.221  17.555
   25    HD2  ARG  -9           HD2      ARG  -9  -3.602  -4.653  17.725
   26    HD3  ARG  -9           HD3      ARG  -9  -3.316  -6.382  17.530
   27    HE   ARG  -9           HE       ARG  -9  -2.779  -4.703  19.897
   28   HH11  ARG  -9          HH11      ARG  -9  -2.230  -7.878  18.506
   29   HH12  ARG  -9          HH12      ARG  -9  -1.918  -8.598  20.061
   30   HH21  ARG  -9          HH21      ARG  -9  -2.346  -5.683  21.834
   31   HH22  ARG  -9          HH22      ARG  -9  -1.978  -7.383  21.889
   32    H    PHE  -8           H        PHE  -8  -0.875  -2.662  13.298
   33    HA   PHE  -8           HA       PHE  -8  -2.052  -3.573  10.975
   34    HB2  PHE  -8           HB2      PHE  -8  -1.788  -1.262  11.177
   35    HB3  PHE  -8           HB3      PHE  -8  -0.065  -1.383  11.470
   36    HD1  PHE  -8           HD1      PHE  -8  -2.661  -1.734   8.818
   37    HD2  PHE  -8           HD2      PHE  -8   1.548  -1.420   9.693
   38    HE1  PHE  -8           HE1      PHE  -8  -2.158  -1.567   6.387
   39    HE2  PHE  -8           HE2      PHE  -8   2.040  -1.247   7.260
   40    HZ   PHE  -8           HZ       PHE  -8   0.187  -1.335   5.612
   41    H    TRP  -7           H        TRP  -7   1.468  -3.720  11.572
   42    HA   TRP  -7           HA       TRP  -7   2.040  -4.677   8.944
   43    HB2  TRP  -7           HB2      TRP  -7   3.675  -3.493  10.216
   44    HB3  TRP  -7           HB3      TRP  -7   3.679  -4.721  11.477
   45    HD1  TRP  -7           HD1      TRP  -7   5.171  -6.817  11.143
   46    HE1  TRP  -7           HE1      TRP  -7   6.768  -7.675   9.329
   47    HE3  TRP  -7           HE3      TRP  -7   3.980  -3.526   7.408
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.357  -7.095   6.563
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.005  -3.777   5.152
   50    HH2  TRP  -7           HH2      TRP  -7   6.678  -5.551   4.723
   51    H    GLU  -6           H        GLU  -6   1.232  -6.486  11.897
   52    HA   GLU  -6           HA       GLU  -6   2.027  -9.075  10.880
   53    HB2  GLU  -6           HB2      GLU  -6  -0.144  -8.356  12.904
   54    HB3  GLU  -6           HB3      GLU  -6   0.510  -9.974  12.597
   55    HG2  GLU  -6           HG2      GLU  -6   2.791  -9.111  13.230
   56    HG3  GLU  -6           HG3      GLU  -6   2.041  -7.582  13.705
   57    H    TYR  -5           H        TYR  -5  -0.965  -7.162  10.558
   58    HA   TYR  -5           HA       TYR  -5  -2.324  -9.151   8.941
   59    HB2  TYR  -5           HB2      TYR  -5  -2.884  -6.244   9.502
   60    HB3  TYR  -5           HB3      TYR  -5  -3.777  -7.163   8.306
   61    HD1  TYR  -5           HD2      TYR  -5  -5.116  -9.160   8.904
   62    HD2  TYR  -5           HD1      TYR  -5  -3.333  -6.592  11.878
   63    HE1  TYR  -5           HE2      TYR  -5  -6.644 -10.092  10.631
   64    HE2  TYR  -5           HE1      TYR  -5  -4.876  -7.510  13.600
   65    HH   TYR  -5           HH       TYR  -5  -6.537  -9.034  14.053
   66    H    TRP  -4           H        TRP  -4  -0.465  -6.246   8.123
   67    HA   TRP  -4           HA       TRP  -4  -0.868  -6.372   5.296
   68    HB2  TRP  -4           HB2      TRP  -4  -0.089  -4.438   6.768
   69    HB3  TRP  -4           HB3      TRP  -4   1.499  -5.202   6.815
   70    HD1  TRP  -4           HD1      TRP  -4   2.957  -5.091   4.604
   71    HE1  TRP  -4           HE1      TRP  -4   2.750  -3.803   2.391
   72    HE3  TRP  -4           HE3      TRP  -4  -1.914  -3.629   4.992
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.657  -2.514   0.878
   74    HZ3  TRP  -4           HZ3      TRP  -4  -3.035  -2.495   3.093
   75    HH2  TRP  -4           HH2      TRP  -4  -1.776  -1.909   1.053
   76    H    LEU  -3           H        LEU  -3   1.731  -7.787   7.339
   77    HA   LEU  -3           HA       LEU  -3   3.305  -8.895   5.274
   78    HB2  LEU  -3           HB2      LEU  -3   3.874  -8.663   7.705
   79    HB3  LEU  -3           HB3      LEU  -3   2.694  -9.921   8.079
   80    HG   LEU  -3           HG       LEU  -3   4.088 -11.521   6.664
   81   HD11  LEU  -3          HD11      LEU  -3   5.302  -9.804   5.331
   82   HD12  LEU  -3          HD12      LEU  -3   6.431 -10.835   6.225
   83   HD13  LEU  -3          HD13      LEU  -3   6.058  -9.198   6.816
   84   HD21  LEU  -3          HD21      LEU  -3   5.448 -10.175   9.038
   85   HD22  LEU  -3          HD22      LEU  -3   5.820 -11.795   8.398
   86   HD23  LEU  -3          HD23      LEU  -3   4.236 -11.474   9.119
   87    H    ARG  -2           H        ARG  -2   0.207  -9.996   6.611
   88    HA   ARG  -2           HA       ARG  -2   0.382 -12.690   5.593
   89    HB2  ARG  -2           HB2      ARG  -2  -1.079 -11.571   7.553
   90    HB3  ARG  -2           HB3      ARG  -2  -2.231 -11.317   6.244
   91    HG2  ARG  -2           HG2      ARG  -2  -2.803 -13.360   7.311
   92    HG3  ARG  -2           HG3      ARG  -2  -2.074 -13.808   5.761
   93    HD2  ARG  -2           HD2      ARG  -2   0.076 -14.254   6.926
   94    HD3  ARG  -2           HD3      ARG  -2  -0.670 -13.833   8.470
   95    HE   ARG  -2           HE       ARG  -2  -2.314 -15.754   7.888
   96   HH11  ARG  -2          HH11      ARG  -2   1.152 -15.909   7.119
   97   HH12  ARG  -2          HH12      ARG  -2   1.118 -17.651   7.146
   98   HH21  ARG  -2          HH22      ARG  -2  -2.207 -17.955   7.908
   99   HH22  ARG  -2          HH21      ARG  -2  -0.699 -18.763   7.604
  100    H    LEU  -1           H        LEU  -1  -0.441  -9.676   4.136
  101    HA   LEU  -1           HA       LEU  -1  -1.914 -10.636   1.840
  102    HB2  LEU  -1           HB2      LEU  -1   0.008  -8.292   2.103
  103    HB3  LEU  -1           HB3      LEU  -1  -1.117  -8.541   0.784
  104    HG   LEU  -1           HG       LEU  -1  -1.856  -7.897   3.670
  105   HD11  LEU  -1          HD11      LEU  -1  -1.995  -6.344   1.048
  106   HD12  LEU  -1          HD12      LEU  -1  -0.826  -6.068   2.355
  107   HD13  LEU  -1          HD13      LEU  -1  -2.545  -5.753   2.638
  108   HD21  LEU  -1          HD21      LEU  -1  -4.147  -7.625   2.798
  109   HD22  LEU  -1          HD22      LEU  -1  -3.593  -9.291   2.608
  110   HD23  LEU  -1          HD23      LEU  -1  -3.621  -8.207   1.197
  111    H    MET   0           H        MET   0   1.590  -9.930   2.343
  112    HA   MET   0           HA       MET   0   2.261 -10.927  -0.294
  113    HB2  MET   0           HB2      MET   0   4.528 -10.416   0.228
  114    HB3  MET   0           HB3      MET   0   3.500  -9.078   0.734
  115    HG2  MET   0           HG2      MET   0   3.702  -9.760   3.074
  116    HG3  MET   0           HG3      MET   0   4.576 -11.223   2.610
  117    HE1  MET   0           HE1      MET   0   4.699  -7.508   3.450
  118    HE2  MET   0           HE2      MET   0   6.229  -6.935   2.750
  119    HE3  MET   0           HE3      MET   0   4.872  -7.339   1.680
  120    H    GLU   1           H        GLU   1   2.081 -12.423   2.860
  121    HA   GLU   1           HA       GLU   1   3.501 -14.856   2.193
  122    HB2  GLU   1           HB2      GLU   1   1.562 -14.125   4.397
  123    HB3  GLU   1           HB3      GLU   1   2.265 -15.739   4.237
  124    HG2  GLU   1           HG2      GLU   1   4.533 -14.837   4.353
  125    HG3  GLU   1           HG3      GLU   1   3.902 -13.209   4.580
  126    H    GLY   2           H        GLY   2   1.860 -14.306   0.027
  127    HA2  GLY   2           HA2      GLY   2  -0.345 -16.255  -0.083
  128    HA3  GLY   2           HA3      GLY   2   0.310 -15.299  -1.407
  129    H    GLY   3           H        GLY   3   2.776 -16.915   0.335
  130    HA2  GLY   3           HA2      GLY   3   4.118 -18.749  -0.105
  131    HA3  GLY   3           HA3      GLY   3   2.903 -19.378  -1.220
  132    H    GLY   4           H        GLY   4   2.745 -17.197  -3.040
  133    HA2  GLY   4           HA2      GLY   4   4.946 -15.874  -4.004
  134    HA3  GLY   4           HA3      GLY   4   5.181 -17.507  -4.625
  135    H    GLU   5           H        GLU   5   4.983 -16.763  -6.728
  136    HA   GLU   5           HA       GLU   5   4.024 -16.517  -8.728
  137    HB2  GLU   5           HB2      GLU   5   1.430 -17.391  -7.431
  138    HB3  GLU   5           HB3      GLU   5   1.703 -17.244  -9.154
  139    HG2  GLU   5           HG2      GLU   5   3.207 -19.139  -7.293
  140    HG3  GLU   5           HG3      GLU   5   1.835 -19.569  -8.301
  141    H    ASN   6           H        ASN   6   4.603 -14.385  -8.661
  142    HA   ASN   6           HA       ASN   6   3.268 -12.150  -7.792
  143    HB2  ASN   6           HB2      ASN   6   5.519 -12.227  -8.766
  144    HB3  ASN   6           HB3      ASN   6   4.857 -12.566 -10.366
  145   HD21  ASN   6          HD21      ASN   6   3.760 -10.834 -11.499
  146   HD22  ASN   6          HD22      ASN   6   3.986  -9.177 -10.974
  147    H    LEU   7           H        LEU   7   1.339 -11.256  -8.133
  148    HA   LEU   7           HA       LEU   7  -0.560 -12.201  -9.983
  149    HB2  LEU   7           HB2      LEU   7  -1.072 -11.148  -7.806
  150    HB3  LEU   7           HB3      LEU   7  -0.479  -9.604  -8.407
  151    HG   LEU   7           HG       LEU   7  -2.328  -9.574 -10.109
  152   HD11  LEU   7          HD11      LEU   7  -4.245 -11.130  -9.727
  153   HD12  LEU   7          HD12      LEU   7  -3.229 -12.054  -8.591
  154   HD13  LEU   7          HD13      LEU   7  -2.811 -11.975 -10.314
  155   HD21  LEU   7          HD21      LEU   7  -4.111  -9.077  -8.490
  156   HD22  LEU   7          HD22      LEU   7  -2.558  -8.415  -7.961
  157   HD23  LEU   7          HD23      LEU   7  -3.185  -9.902  -7.214
  158    H    TYR   8           H        TYR   8  -1.368 -11.503 -11.910
  159    HA   TYR   8           HA       TYR   8   0.317 -10.061 -13.673
  160    HB2  TYR   8           HB2      TYR   8  -2.521 -11.046 -13.965
  161    HB3  TYR   8           HB3      TYR   8  -1.651 -10.218 -15.245
  162    HD1  TYR   8           HD2      TYR   8   0.563 -11.147 -16.110
  163    HD2  TYR   8           HD1      TYR   8  -2.173 -13.403 -13.644
  164    HE1  TYR   8           HE2      TYR   8   1.626 -13.265 -16.866
  165    HE2  TYR   8           HE1      TYR   8  -1.102 -15.521 -14.404
  166    HH   TYR   8           HH       TYR   8   1.630 -15.553 -16.725
  167    H    PHE   9           H        PHE   9   0.147  -8.174 -14.815
  168    HA   PHE   9           HA       PHE   9  -1.016  -5.914 -13.476
  169    HB2  PHE   9           HB2      PHE   9  -0.011  -4.635 -15.468
  170    HB3  PHE   9           HB3      PHE   9   0.988  -5.363 -14.238
  171    HD1  PHE   9           HD1      PHE   9  -0.371  -6.036 -17.672
  172    HD2  PHE   9           HD2      PHE   9   2.719  -6.869 -14.778
  173    HE1  PHE   9           HE1      PHE   9   0.874  -7.352 -19.374
  174    HE2  PHE   9           HE2      PHE   9   3.959  -8.183 -16.482
  175    HZ   PHE   9           HZ       PHE   9   3.037  -8.429 -18.781
  176    H    GLN  10           H        GLN  10  -3.126  -7.458 -13.934
  177    HA   GLN  10           HA       GLN  10  -4.602  -6.482 -16.307
  178    HB2  GLN  10           HB2      GLN  10  -5.155  -8.578 -14.184
  179    HB3  GLN  10           HB3      GLN  10  -6.318  -8.157 -15.449
  180    HG2  GLN  10           HG2      GLN  10  -4.815  -8.842 -17.209
  181    HG3  GLN  10           HG3      GLN  10  -3.487  -9.079 -16.080
  182   HE21  GLN  10          HE21      GLN  10  -3.786 -11.217 -17.550
  183   HE22  GLN  10          HE22      GLN  10  -4.684 -12.475 -16.712
  184    H    GLY  11           H        GLY  11  -4.408  -5.528 -12.985
  185    HA2  GLY  11           HA2      GLY  11  -5.701  -4.066 -11.717
  186    HA3  GLY  11           HA3      GLY  11  -6.634  -3.664 -13.158
  187    H    MET  12           H        MET  12  -6.201  -6.877 -11.652
  188    HA   MET  12           HA       MET  12  -9.098  -7.073 -10.987
  189    HB2  MET  12           HB2      MET  12  -7.520  -9.006 -12.735
  190    HB3  MET  12           HB3      MET  12  -9.147  -9.297 -12.110
  191    HG2  MET  12           HG2      MET  12  -9.982  -7.309 -13.328
  192    HG3  MET  12           HG3      MET  12  -8.364  -7.043 -13.984
  193    HE1  MET  12           HE1      MET  12  -9.018  -6.982 -16.441
  194    HE2  MET  12           HE2      MET  12 -10.122  -8.140 -17.216
  195    HE3  MET  12           HE3      MET  12 -10.719  -7.068 -15.929
  196    H    SER  13           H        SER  13  -9.636  -9.014  -9.730
  197    HA   SER  13           HA       SER  13  -8.026  -9.392  -7.425
  198    HB2  SER  13           HB2      SER  13 -10.258 -11.149  -8.528
  199    HB3  SER  13           HB3      SER  13  -9.629 -11.183  -6.870
  200    HG   SER  13           HG       SER  13 -11.547  -9.903  -7.104
  201    H    VAL  14           H        VAL  14  -7.191 -11.416  -6.559
  202    HA   VAL  14           HA       VAL  14  -5.323 -12.720  -8.222
  203    HB   VAL  14           HB       VAL  14  -6.362 -13.815  -5.610
  204   HG11  VAL  14          HG11      VAL  14  -4.081 -14.748  -5.412
  205   HG12  VAL  14          HG12      VAL  14  -4.903 -15.384  -6.839
  206   HG13  VAL  14          HG13      VAL  14  -3.668 -14.111  -7.010
  207   HG21  VAL  14          HG21      VAL  14  -5.703 -11.494  -5.204
  208   HG22  VAL  14          HG22      VAL  14  -4.487 -12.581  -4.539
  209   HG23  VAL  14          HG23      VAL  14  -4.173 -11.757  -6.078
  210    HA   PRO  15           HA       PRO  15  -8.092 -15.568 -10.276
  211    HB2  PRO  15           HB2      PRO  15  -6.285 -17.180 -11.579
  212    HB3  PRO  15           HB3      PRO  15  -6.660 -15.501 -12.076
  213    HG2  PRO  15           HG2      PRO  15  -4.347 -16.455 -10.351
  214    HG3  PRO  15           HG3      PRO  15  -4.291 -15.363 -11.774
  215    HD2  PRO  15           HD2      PRO  15  -4.326 -14.370  -9.252
  216    HD3  PRO  15           HD3      PRO  15  -5.258 -13.576 -10.555
  217    H    THR  16           H        THR  16  -9.139 -17.369  -9.610
  218    HA   THR  16           HA       THR  16  -8.502 -18.689  -7.280
  219    HB   THR  16           HB       THR  16 -10.271 -20.058  -9.258
  220    HG1  THR  16           HG1      THR  16 -11.880 -18.578  -8.806
  221   HG21  THR  16          HG21      THR  16 -11.696 -20.354  -7.271
  222   HG22  THR  16          HG22      THR  16 -10.536 -19.426  -6.289
  223   HG23  THR  16          HG23      THR  16 -10.069 -20.993  -6.995
  224    H    ASP  17           H        ASP  17  -7.765 -19.861 -10.500
  225    HA   ASP  17           HA       ASP  17  -6.668 -22.399  -9.665
  226    HB2  ASP  17           HB2      ASP  17  -7.512 -22.228 -11.854
  227    HB3  ASP  17           HB3      ASP  17  -6.570 -20.782 -12.200
  228    H    GLY  18           H        GLY  18  -5.366 -19.234  -9.513
  229    HA2  GLY  18           HA2      GLY  18  -2.516 -20.048  -9.383
  230    HA3  GLY  18           HA3      GLY  18  -3.175 -18.418  -9.324
  231    H    ALA  19           H        ALA  19  -1.789 -18.028  -7.546
  232    HA   ALA  19           HA       ALA  19  -1.997 -19.459  -5.041
  233    HB1  ALA  19           HB1      ALA  19   0.104 -18.519  -5.833
  234    HB2  ALA  19           HB2      ALA  19  -0.583 -16.874  -5.805
  235    HB3  ALA  19           HB3      ALA  19  -0.358 -17.780  -4.296
  236    H    VAL  20           H        VAL  20  -4.533 -18.911  -5.401
  237    HA   VAL  20           HA       VAL  20  -5.465 -16.429  -4.316
  238    HB   VAL  20           HB       VAL  20  -6.620 -18.063  -5.907
  239   HG11  VAL  20          HG11      VAL  20  -8.198 -19.629  -4.960
  240   HG12  VAL  20          HG12      VAL  20  -6.573 -20.050  -4.405
  241   HG13  VAL  20          HG13      VAL  20  -7.705 -19.220  -3.308
  242   HG21  VAL  20          HG21      VAL  20  -7.621 -15.959  -5.140
  243   HG22  VAL  20          HG22      VAL  20  -8.824 -17.241  -5.329
  244   HG23  VAL  20          HG23      VAL  20  -8.275 -16.784  -3.706
  245    H    THR  21           H        THR  21  -4.099 -18.982  -2.649
  246    HA   THR  21           HA       THR  21  -5.135 -17.972  -0.070
  247    HB   THR  21           HB       THR  21  -5.417 -19.944   0.943
  248    HG1  THR  21           HG1      THR  21  -4.514 -21.900   0.175
  249   HG21  THR  21          HG21      THR  21  -7.084 -19.839  -0.918
  250   HG22  THR  21          HG22      THR  21  -6.703 -21.487  -0.397
  251   HG23  THR  21          HG23      THR  21  -6.004 -20.859  -1.902
  252    H    THR  22           H        THR  22  -3.693 -18.675   1.860
  253    HA   THR  22           HA       THR  22  -1.068 -17.585   1.455
  254    HB   THR  22           HB       THR  22  -0.656 -17.884   3.742
  255    HG1  THR  22           HG1      THR  22  -1.983 -19.168   5.029
  256   HG21  THR  22          HG21      THR  22  -3.664 -17.380   3.587
  257   HG22  THR  22          HG22      THR  22  -2.417 -16.168   3.205
  258   HG23  THR  22          HG23      THR  22  -2.530 -16.836   4.840
  259    H    SER  23           H        SER  23  -2.182 -20.706   0.844
  260    HA   SER  23           HA       SER  23  -1.264 -22.647   0.251
  261    HB2  SER  23           HB2      SER  23   0.049 -21.227  -1.266
  262    HB3  SER  23           HB3      SER  23   1.346 -21.148  -0.058
  263    HG   SER  23           HG       SER  23   1.844 -22.788  -1.450
  264    H    GLN  24           H        GLN  24   0.130 -24.443   0.754
  265    HA   GLN  24           HA       GLN  24   0.665 -24.741   3.628
  266    HB2  GLN  24           HB2      GLN  24  -0.383 -26.510   2.202
  267    HB3  GLN  24           HB3      GLN  24   1.106 -26.620   1.271
  268    HG2  GLN  24           HG2      GLN  24   1.003 -28.448   2.848
  269    HG3  GLN  24           HG3      GLN  24   2.328 -27.390   3.306
  270   HE21  GLN  24          HE21      GLN  24  -1.198 -27.936   4.029
  271   HE22  GLN  24          HE22      GLN  24  -1.049 -27.473   5.720
  272    H    ILE  25           H        ILE  25   2.528 -24.096   0.702
  273    HA   ILE  25           HA       ILE  25   5.028 -23.817   2.220
  274    HB   ILE  25           HB       ILE  25   6.103 -25.151   0.128
  275   HG12  ILE  25          HG12      ILE  25   5.003 -27.313  -0.209
  276   HG13  ILE  25          HG13      ILE  25   3.570 -26.776   0.657
  277   HG21  ILE  25          HG21      ILE  25   5.103 -26.495   2.661
  278   HG22  ILE  25          HG22      ILE  25   6.464 -27.010   1.647
  279   HG23  ILE  25          HG23      ILE  25   6.557 -25.486   2.536
  280   HD11  ILE  25          HD11      ILE  25   4.638 -25.532  -1.925
  281   HD12  ILE  25          HD12      ILE  25   3.330 -26.728  -1.827
  282   HD13  ILE  25          HD13      ILE  25   3.101 -25.123  -1.122
  283    HA   PRO  26           HA       PRO  26   5.662 -20.500  -0.617
  284    HB2  PRO  26           HB2      PRO  26   8.355 -20.090  -0.552
  285    HB3  PRO  26           HB3      PRO  26   7.297 -19.790   0.862
  286    HG2  PRO  26           HG2      PRO  26   8.941 -22.275   0.265
  287    HG3  PRO  26           HG3      PRO  26   8.891 -21.326   1.785
  288    HD2  PRO  26           HD2      PRO  26   7.395 -23.572   1.435
  289    HD3  PRO  26           HD3      PRO  26   6.763 -22.171   2.354
  290    H    ALA  27           H        ALA  27   6.488 -19.878  -2.657
  291    HA   ALA  27           HA       ALA  27   6.919 -21.984  -4.638
  292    HB1  ALA  27           HB1      ALA  27   6.796 -20.102  -6.203
  293    HB2  ALA  27           HB2      ALA  27   5.506 -19.958  -5.002
  294    HB3  ALA  27           HB3      ALA  27   6.963 -18.943  -4.867
  295    H    SER  28           H        SER  28   8.666 -21.101  -6.414
  296    HA   SER  28           HA       SER  28  11.259 -21.737  -5.349
  297    HB2  SER  28           HB2      SER  28  11.957 -21.566  -7.717
  298    HB3  SER  28           HB3      SER  28  10.519 -22.571  -7.488
  299    HG   SER  28           HG       SER  28  10.284 -21.109  -9.246
  300    H    GLU  29           H        GLU  29   9.953 -18.936  -4.781
  301    HA   GLU  29           HA       GLU  29  10.570 -16.869  -4.234
  302    HB2  GLU  29           HB2      GLU  29  12.202 -18.106  -2.966
  303    HB3  GLU  29           HB3      GLU  29  13.375 -18.005  -4.288
  304    HG2  GLU  29           HG2      GLU  29  13.519 -15.588  -4.061
  305    HG3  GLU  29           HG3      GLU  29  12.217 -15.586  -2.860
  306    H    GLN  30           H        GLN  30  12.015 -17.897  -7.255
  307    HA   GLN  30           HA       GLN  30  12.636 -15.243  -8.246
  308    HB2  GLN  30           HB2      GLN  30  13.603 -17.269  -9.208
  309    HB3  GLN  30           HB3      GLN  30  12.002 -17.859  -9.672
  310    HG2  GLN  30           HG2      GLN  30  11.725 -15.958 -11.235
  311    HG3  GLN  30           HG3      GLN  30  13.287 -15.301 -10.729
  312   HE21  GLN  30          HE21      GLN  30  15.244 -16.843 -11.094
  313   HE22  GLN  30          HE22      GLN  30  15.153 -17.897 -12.500
  314    H    GLU  31           H        GLU  31  11.241 -13.665  -8.851
  315    HA   GLU  31           HA       GLU  31   8.448 -14.306  -9.645
  316    HB2  GLU  31           HB2      GLU  31   9.267 -12.465  -7.367
  317    HB3  GLU  31           HB3      GLU  31   7.665 -12.485  -8.074
  318    HG2  GLU  31           HG2      GLU  31   8.997 -14.785  -6.590
  319    HG3  GLU  31           HG3      GLU  31   7.740 -13.725  -5.976
  320    H    THR  32           H        THR  32   7.396 -12.858 -10.902
  321    HA   THR  32           HA       THR  32   8.970 -11.292 -12.612
  322    HB   THR  32           HB       THR  32   6.020 -10.922 -12.683
  323    HG1  THR  32           HG1      THR  32   5.789 -12.974 -13.598
  324   HG21  THR  32          HG21      THR  32   8.106 -11.625 -14.794
  325   HG22  THR  32          HG22      THR  32   7.365 -10.027 -14.535
  326   HG23  THR  32          HG23      THR  32   6.374 -11.373 -15.096
  327    H    LEU  33           H        LEU  33   8.974  -9.119 -13.268
  328    HA   LEU  33           HA       LEU  33   8.450  -7.132 -11.157
  329    HB2  LEU  33           HB2      LEU  33   9.448  -6.804 -14.009
  330    HB3  LEU  33           HB3      LEU  33   9.349  -5.517 -12.812
  331    HG   LEU  33           HG       LEU  33  11.112  -7.998 -12.535
  332   HD11  LEU  33          HD11      LEU  33  11.820  -5.142 -13.317
  333   HD12  LEU  33          HD12      LEU  33  11.842  -6.561 -14.386
  334   HD13  LEU  33          HD13      LEU  33  12.973  -6.463 -13.026
  335   HD21  LEU  33          HD21      LEU  33  12.216  -6.703 -10.735
  336   HD22  LEU  33          HD22      LEU  33  10.527  -7.029 -10.342
  337   HD23  LEU  33          HD23      LEU  33  11.010  -5.414 -10.915
  338    H    VAL  34           H        VAL  34   6.951  -5.497 -11.251
  339    HA   VAL  34           HA       VAL  34   4.519  -6.134 -12.823
  340    HB   VAL  34           HB       VAL  34   3.226  -5.161 -11.195
  341   HG11  VAL  34          HG11      VAL  34   5.565  -6.262  -9.624
  342   HG12  VAL  34          HG12      VAL  34   3.884  -6.159  -9.094
  343   HG13  VAL  34          HG13      VAL  34   4.328  -7.248 -10.430
  344   HG21  VAL  34          HG21      VAL  34   4.265  -2.993 -10.820
  345   HG22  VAL  34          HG22      VAL  34   4.109  -3.810  -9.272
  346   HG23  VAL  34          HG23      VAL  34   5.685  -3.760 -10.070
  347    H    ARG  35           H        ARG  35   6.861  -3.704 -12.733
  348    HA   ARG  35           HA       ARG  35   7.103  -1.576 -13.454
  349    HB2  ARG  35           HB2      ARG  35   5.170  -2.429 -15.640
  350    HB3  ARG  35           HB3      ARG  35   6.144  -0.956 -15.654
  351    HG2  ARG  35           HG2      ARG  35   8.221  -2.314 -15.571
  352    HG3  ARG  35           HG3      ARG  35   7.248  -3.800 -15.598
  353    HD2  ARG  35           HD2      ARG  35   6.298  -3.145 -17.784
  354    HD3  ARG  35           HD3      ARG  35   7.240  -1.640 -17.741
  355    HE   ARG  35           HE       ARG  35   8.892  -4.028 -17.465
  356   HH11  ARG  35          HH11      ARG  35   7.386  -1.997 -19.894
  357   HH12  ARG  35          HH12      ARG  35   8.555  -2.431 -21.111
  358   HH21  ARG  35          HH21      ARG  35  10.345  -4.539 -19.066
  359   HH22  ARG  35          HH22      ARG  35  10.176  -3.841 -20.650
  360    HA   PRO  36           HA       PRO  36   3.415  -0.244 -11.064
  361    HB2  PRO  36           HB2      PRO  36   5.399   1.531  -9.703
  362    HB3  PRO  36           HB3      PRO  36   4.180   0.425  -8.999
  363    HG2  PRO  36           HG2      PRO  36   6.836  -0.183  -8.979
  364    HG3  PRO  36           HG3      PRO  36   5.574  -1.431  -9.203
  365    HD2  PRO  36           HD2      PRO  36   7.265  -0.062 -11.305
  366    HD3  PRO  36           HD3      PRO  36   6.841  -1.791 -11.142
  367    H    LYS  37           H        LYS  37   2.207   1.729 -11.005
  368    HA   LYS  37           HA       LYS  37   2.638   3.705 -13.050
  369    HB2  LYS  37           HB2      LYS  37   0.886   3.761 -10.546
  370    HB3  LYS  37           HB3      LYS  37   0.906   5.039 -11.762
  371    HG2  LYS  37           HG2      LYS  37   0.402   3.144 -13.480
  372    HG3  LYS  37           HG3      LYS  37  -0.077   2.194 -12.081
  373    HD2  LYS  37           HD2      LYS  37  -1.238   4.840 -13.019
  374    HD3  LYS  37           HD3      LYS  37  -2.007   3.257 -13.121
  375    HE2  LYS  37           HE2      LYS  37  -2.169   3.160 -10.640
  376    HE3  LYS  37           HE3      LYS  37  -1.369   4.730 -10.517
  377    HZ1  LYS  37           HZ1      LYS  37  -3.970   4.215 -11.861
  378    HZ2  LYS  37           HZ2      LYS  37  -3.251   5.683 -11.757
  379    HZ3  LYS  37           HZ3      LYS  37  -3.789   4.936 -10.408
  380    HA   PRO  38           HA       PRO  38   5.642   6.416 -11.256
  381    HB2  PRO  38           HB2      PRO  38   4.839   8.919 -12.110
  382    HB3  PRO  38           HB3      PRO  38   5.635   7.699 -13.147
  383    HG2  PRO  38           HG2      PRO  38   2.665   8.256 -12.877
  384    HG3  PRO  38           HG3      PRO  38   3.629   8.078 -14.378
  385    HD2  PRO  38           HD2      PRO  38   2.199   6.010 -13.407
  386    HD3  PRO  38           HD3      PRO  38   3.833   5.731 -14.076
  387    H    LEU  39           H        LEU  39   2.217   7.266 -10.717
  388    HA   LEU  39           HA       LEU  39   2.520   8.889  -8.412
  389    HB2  LEU  39           HB2      LEU  39   0.458   8.632  -9.801
  390    HB3  LEU  39           HB3      LEU  39   0.285   6.978  -9.214
  391    HG   LEU  39           HG       LEU  39  -0.003   7.892  -6.869
  392   HD11  LEU  39          HD11      LEU  39  -0.610  10.304  -6.676
  393   HD12  LEU  39          HD12      LEU  39  -0.098  10.556  -8.358
  394   HD13  LEU  39          HD13      LEU  39   1.087  10.079  -7.120
  395   HD21  LEU  39          HD21      LEU  39  -2.295   8.658  -7.231
  396   HD22  LEU  39          HD22      LEU  39  -1.934   7.295  -8.299
  397   HD23  LEU  39          HD23      LEU  39  -1.956   8.946  -8.954
  398    H    LEU  40           H        LEU  40   2.430   5.335  -8.733
  399    HA   LEU  40           HA       LEU  40   2.476   4.874  -5.851
  400    HB2  LEU  40           HB2      LEU  40   1.401   3.275  -7.390
  401    HB3  LEU  40           HB3      LEU  40   2.928   3.014  -8.220
  402    HG   LEU  40           HG       LEU  40   3.926   2.029  -6.208
  403   HD11  LEU  40          HD11      LEU  40   2.439   1.480  -4.246
  404   HD12  LEU  40          HD12      LEU  40   1.199   2.548  -4.946
  405   HD13  LEU  40          HD13      LEU  40   2.752   3.211  -4.408
  406   HD21  LEU  40          HD21      LEU  40   1.281   0.621  -6.417
  407   HD22  LEU  40          HD22      LEU  40   2.926  -0.024  -6.400
  408   HD23  LEU  40          HD23      LEU  40   2.300   0.741  -7.862
  409    H    LEU  41           H        LEU  41   4.852   4.644  -8.523
  410    HA   LEU  41           HA       LEU  41   7.104   3.875  -7.012
  411    HB2  LEU  41           HB2      LEU  41   7.075   3.846  -9.410
  412    HB3  LEU  41           HB3      LEU  41   6.801   5.582  -9.493
  413    HG   LEU  41           HG       LEU  41   9.026   6.068  -8.686
  414   HD11  LEU  41          HD11      LEU  41  10.738   4.270  -8.477
  415   HD12  LEU  41          HD12      LEU  41   9.452   3.044  -8.565
  416   HD13  LEU  41          HD13      LEU  41   9.537   4.176  -7.195
  417   HD21  LEU  41          HD21      LEU  41  10.294   5.242 -10.607
  418   HD22  LEU  41          HD22      LEU  41   8.650   5.691 -11.094
  419   HD23  LEU  41          HD23      LEU  41   9.079   3.974 -10.889
  420    H    LYS  42           H        LYS  42   5.849   7.194  -7.514
  421    HA   LYS  42           HA       LYS  42   7.738   8.635  -5.962
  422    HB2  LYS  42           HB2      LYS  42   5.995   9.649  -7.362
  423    HB3  LYS  42           HB3      LYS  42   4.737   9.061  -6.267
  424    HG2  LYS  42           HG2      LYS  42   5.584  10.497  -4.453
  425    HG3  LYS  42           HG3      LYS  42   6.964  10.975  -5.453
  426    HD2  LYS  42           HD2      LYS  42   5.367  12.761  -5.474
  427    HD3  LYS  42           HD3      LYS  42   5.394  12.025  -7.084
  428    HE2  LYS  42           HE2      LYS  42   3.328  10.756  -6.543
  429    HE3  LYS  42           HE3      LYS  42   3.328  11.435  -4.909
  430    HZ1  LYS  42           HZ1      LYS  42   3.057  13.649  -5.899
  431    HZ2  LYS  42           HZ2      LYS  42   1.836  12.680  -6.376
  432    HZ3  LYS  42           HZ3      LYS  42   3.054  13.026  -7.408
  433    H    LEU  43           H        LEU  43   4.904   6.794  -4.785
  434    HA   LEU  43           HA       LEU  43   5.256   7.499  -2.002
  435    HB2  LEU  43           HB2      LEU  43   3.141   6.762  -2.946
  436    HB3  LEU  43           HB3      LEU  43   3.776   5.171  -3.302
  437    HG   LEU  43           HG       LEU  43   3.755   6.226  -0.467
  438   HD11  LEU  43          HD11      LEU  43   1.443   6.371  -1.441
  439   HD12  LEU  43          HD12      LEU  43   1.584   5.194  -0.128
  440   HD13  LEU  43          HD13      LEU  43   1.546   4.632  -1.805
  441   HD21  LEU  43          HD21      LEU  43   5.009   4.130  -0.682
  442   HD22  LEU  43          HD22      LEU  43   3.738   3.427  -1.705
  443   HD23  LEU  43          HD23      LEU  43   3.448   3.748   0.011
  444    H    LEU  44           H        LEU  44   6.371   4.670  -3.959
  445    HA   LEU  44           HA       LEU  44   7.725   3.362  -1.797
  446    HB2  LEU  44           HB2      LEU  44   8.751   3.243  -4.633
  447    HB3  LEU  44           HB3      LEU  44   8.813   2.009  -3.384
  448    HG   LEU  44           HG       LEU  44   6.391   2.877  -4.983
  449   HD11  LEU  44          HD11      LEU  44   7.934   0.273  -4.976
  450   HD12  LEU  44          HD12      LEU  44   8.005   1.532  -6.227
  451   HD13  LEU  44          HD13      LEU  44   6.493   0.651  -5.951
  452   HD21  LEU  44          HD21      LEU  44   5.096   1.152  -3.942
  453   HD22  LEU  44          HD22      LEU  44   5.755   2.154  -2.640
  454   HD23  LEU  44          HD23      LEU  44   6.489   0.581  -3.019
  455    H    LYS  45           H        LYS  45   8.899   5.802  -4.132
  456    HA   LYS  45           HA       LYS  45  11.564   5.927  -2.995
  457    HB2  LYS  45           HB2      LYS  45  10.084   7.622  -5.026
  458    HB3  LYS  45           HB3      LYS  45  11.748   7.966  -4.503
  459    HG2  LYS  45           HG2      LYS  45  12.477   5.724  -5.124
  460    HG3  LYS  45           HG3      LYS  45  10.846   5.238  -5.535
  461    HD2  LYS  45           HD2      LYS  45  12.117   5.601  -7.527
  462    HD3  LYS  45           HD3      LYS  45  10.800   6.778  -7.416
  463    HE2  LYS  45           HE2      LYS  45  12.773   7.747  -8.325
  464    HE3  LYS  45           HE3      LYS  45  12.393   8.511  -6.769
  465    HZ1  LYS  45           HZ1      LYS  45  14.480   6.425  -7.204
  466    HZ2  LYS  45           HZ2      LYS  45  14.144   7.107  -5.759
  467    HZ3  LYS  45           HZ3      LYS  45  14.778   8.010  -6.962
  468    H    SER  46           H        SER  46   8.622   7.537  -2.073
  469    HA   SER  46           HA       SER  46   9.835   9.534  -0.376
  470    HB2  SER  46           HB2      SER  46   7.149   8.122  -0.117
  471    HB3  SER  46           HB3      SER  46   7.672   9.521   0.825
  472    HG   SER  46           HG       SER  46   7.404   9.395  -2.010
  473    H    VAL  47           H        VAL  47   9.447   6.064   0.000
  474    HA   VAL  47           HA       VAL  47  10.709   6.218   2.697
  475    HB   VAL  47           HB       VAL  47  10.018   4.001   3.175
  476   HG11  VAL  47          HG11      VAL  47   7.631   5.511   2.073
  477   HG12  VAL  47          HG12      VAL  47   7.647   4.303   3.373
  478   HG13  VAL  47          HG13      VAL  47   8.431   5.873   3.622
  479   HG21  VAL  47          HG21      VAL  47  10.064   3.088   0.815
  480   HG22  VAL  47          HG22      VAL  47   8.638   2.633   1.766
  481   HG23  VAL  47          HG23      VAL  47   8.512   3.900   0.536
  482    H    GLY  48           H        GLY  48  11.966   6.445  -0.111
  483    HA2  GLY  48           HA2      GLY  48  14.202   6.314  -0.578
  484    HA3  GLY  48           HA3      GLY  48  14.448   5.273   0.818
  485    H    ALA  49           H        ALA  49  12.149   4.238  -1.696
  486    HA   ALA  49           HA       ALA  49  13.533   1.851  -2.345
  487    HB1  ALA  49           HB1      ALA  49  11.833   1.707  -4.107
  488    HB2  ALA  49           HB2      ALA  49  11.119   2.301  -2.621
  489    HB3  ALA  49           HB3      ALA  49  11.483   3.436  -3.948
  490    H    GLN  50           H        GLN  50  15.090   1.317  -3.827
  491    HA   GLN  50           HA       GLN  50  16.694   3.547  -4.829
  492    HB2  GLN  50           HB2      GLN  50  17.727   1.777  -3.545
  493    HB3  GLN  50           HB3      GLN  50  17.158   0.556  -4.681
  494    HG2  GLN  50           HG2      GLN  50  19.509   0.922  -5.024
  495    HG3  GLN  50           HG3      GLN  50  18.647   1.475  -6.447
  496   HE21  GLN  50          HE21      GLN  50  18.364   3.915  -6.683
  497   HE22  GLN  50          HE22      GLN  50  19.543   4.954  -5.881
  498    H    LYS  51           H        LYS  51  15.069   0.771  -6.329
  499    HA   LYS  51           HA       LYS  51  15.842   1.564  -9.090
  500    HB2  LYS  51           HB2      LYS  51  14.329  -0.862  -8.019
  501    HB3  LYS  51           HB3      LYS  51  14.798  -0.603  -9.702
  502    HG2  LYS  51           HG2      LYS  51  17.196  -0.577  -9.034
  503    HG3  LYS  51           HG3      LYS  51  16.723  -0.924  -7.358
  504    HD2  LYS  51           HD2      LYS  51  15.651  -3.037  -8.089
  505    HD3  LYS  51           HD3      LYS  51  16.128  -2.698  -9.768
  506    HE2  LYS  51           HE2      LYS  51  18.520  -2.675  -9.076
  507    HE3  LYS  51           HE3      LYS  51  18.042  -3.025  -7.410
  508    HZ1  LYS  51           HZ1      LYS  51  18.687  -5.049  -8.588
  509    HZ2  LYS  51           HZ2      LYS  51  17.551  -4.815  -9.735
  510    HZ3  LYS  51           HZ3      LYS  51  17.106  -5.139  -8.194
  511    H    ASP  52           H        ASP  52  14.075   1.258 -10.758
  512    HA   ASP  52           HA       ASP  52  11.590   2.644  -9.952
  513    HB2  ASP  52           HB2      ASP  52  11.362   3.230 -12.376
  514    HB3  ASP  52           HB3      ASP  52  12.615   4.014 -11.433
  515    H    THR  53           H        THR  53  12.446  -0.491 -10.545
  516    HA   THR  53           HA       THR  53   9.619  -1.245 -11.216
  517    HB   THR  53           HB       THR  53  10.744  -3.293 -12.348
  518    HG1  THR  53           HG1      THR  53  12.734  -2.773 -13.359
  519   HG21  THR  53          HG21      THR  53  10.813  -2.206 -14.524
  520   HG22  THR  53          HG22      THR  53  10.884  -0.602 -13.749
  521   HG23  THR  53          HG23      THR  53   9.441  -1.629 -13.568
  522    H    TYR  54           H        TYR  54   8.900  -3.061 -10.222
  523    HA   TYR  54           HA       TYR  54  10.492  -4.460  -8.181
  524    HB2  TYR  54           HB2      TYR  54   8.146  -2.617  -7.613
  525    HB3  TYR  54           HB3      TYR  54   8.731  -3.801  -6.462
  526    HD1  TYR  54           HD2      TYR  54  11.311  -3.748  -5.901
  527    HD2  TYR  54           HD1      TYR  54   9.086  -0.457  -7.596
  528    HE1  TYR  54           HE2      TYR  54  13.128  -2.171  -5.243
  529    HE2  TYR  54           HE1      TYR  54  10.894   1.112  -6.931
  530    HH   TYR  54           HH       TYR  54  13.007   1.260  -6.155
  531    H    THR  55           H        THR  55   9.304  -6.164  -7.034
  532    HA   THR  55           HA       THR  55   7.259  -7.509  -8.683
  533    HB   THR  55           HB       THR  55   7.572  -9.454  -7.553
  534    HG1  THR  55           HG1      THR  55   8.644  -9.530  -5.523
  535   HG21  THR  55          HG21      THR  55  10.349  -8.237  -7.218
  536   HG22  THR  55          HG22      THR  55   9.691  -8.839  -8.761
  537   HG23  THR  55          HG23      THR  55   9.924  -9.951  -7.405
  538    H    MET  56           H        MET  56   5.285  -8.456  -7.566
  539    HA   MET  56           HA       MET  56   3.690  -6.539  -6.231
  540    HB2  MET  56           HB2      MET  56   3.595  -9.572  -6.333
  541    HB3  MET  56           HB3      MET  56   2.405  -8.637  -5.423
  542    HG2  MET  56           HG2      MET  56   2.977  -8.171  -8.366
  543    HG3  MET  56           HG3      MET  56   1.706  -9.227  -7.760
  544    HE1  MET  56           HE1      MET  56   1.627  -6.565  -9.720
  545    HE2  MET  56           HE2      MET  56   0.198  -7.601  -9.496
  546    HE3  MET  56           HE3      MET  56   0.072  -5.846  -9.238
  547    H    LYS  57           H        LYS  57   5.827  -9.049  -4.797
  548    HA   LYS  57           HA       LYS  57   5.105  -8.531  -2.049
  549    HB2  LYS  57           HB2      LYS  57   6.062 -10.640  -2.820
  550    HB3  LYS  57           HB3      LYS  57   7.573  -9.854  -3.271
  551    HG2  LYS  57           HG2      LYS  57   6.576  -9.616  -0.430
  552    HG3  LYS  57           HG3      LYS  57   7.254 -11.149  -0.976
  553    HD2  LYS  57           HD2      LYS  57   9.390 -10.062  -1.540
  554    HD3  LYS  57           HD3      LYS  57   8.736  -8.486  -1.097
  555    HE2  LYS  57           HE2      LYS  57  10.105  -9.250   0.704
  556    HE3  LYS  57           HE3      LYS  57   8.423  -9.208   1.229
  557    HZ1  LYS  57           HZ1      LYS  57   8.336 -11.626   0.935
  558    HZ2  LYS  57           HZ2      LYS  57   9.564 -11.245   1.935
  559    HZ3  LYS  57           HZ3      LYS  57   9.881 -11.665   0.393
  560    H    GLU  58           H        GLU  58   7.770  -7.302  -4.104
  561    HA   GLU  58           HA       GLU  58   8.978  -5.723  -2.003
  562    HB2  GLU  58           HB2      GLU  58   9.068  -5.474  -5.025
  563    HB3  GLU  58           HB3      GLU  58  10.041  -4.491  -3.939
  564    HG2  GLU  58           HG2      GLU  58  10.157  -7.524  -4.219
  565    HG3  GLU  58           HG3      GLU  58  11.286  -6.368  -4.920
  566    H    VAL  59           H        VAL  59   6.520  -4.892  -4.486
  567    HA   VAL  59           HA       VAL  59   6.198  -2.134  -3.734
  568    HB   VAL  59           HB       VAL  59   4.280  -4.142  -4.992
  569   HG11  VAL  59          HG11      VAL  59   3.891  -1.143  -4.613
  570   HG12  VAL  59          HG12      VAL  59   2.875  -2.209  -5.621
  571   HG13  VAL  59          HG13      VAL  59   2.906  -2.415  -3.874
  572   HG21  VAL  59          HG21      VAL  59   5.793  -1.747  -6.140
  573   HG22  VAL  59          HG22      VAL  59   6.240  -3.445  -6.370
  574   HG23  VAL  59          HG23      VAL  59   4.720  -2.843  -7.039
  575    H    LEU  60           H        LEU  60   4.419  -5.104  -2.598
  576    HA   LEU  60           HA       LEU  60   2.823  -3.744  -0.673
  577    HB2  LEU  60           HB2      LEU  60   3.878  -6.588  -0.820
  578    HB3  LEU  60           HB3      LEU  60   2.841  -6.054   0.497
  579    HG   LEU  60           HG       LEU  60   2.005  -5.851  -2.424
  580   HD11  LEU  60          HD11      LEU  60   2.405  -8.205  -1.812
  581   HD12  LEU  60          HD12      LEU  60   0.681  -7.866  -2.002
  582   HD13  LEU  60          HD13      LEU  60   1.374  -8.016  -0.373
  583   HD21  LEU  60          HD21      LEU  60  -0.272  -5.717  -1.485
  584   HD22  LEU  60          HD22      LEU  60   0.721  -4.383  -0.892
  585   HD23  LEU  60          HD23      LEU  60   0.394  -5.768   0.164
  586    H    PHE  61           H        PHE  61   6.114  -5.193  -0.270
  587    HA   PHE  61           HA       PHE  61   6.429  -4.493   2.429
  588    HB2  PHE  61           HB2      PHE  61   8.020  -5.953   1.667
  589    HB3  PHE  61           HB3      PHE  61   8.386  -4.995   0.246
  590    HD1  PHE  61           HD1      PHE  61   8.863  -5.148   3.943
  591    HD2  PHE  61           HD2      PHE  61  10.064  -3.273   0.246
  592    HE1  PHE  61           HE1      PHE  61  10.732  -4.018   5.121
  593    HE2  PHE  61           HE2      PHE  61  11.935  -2.154   1.428
  594    HZ   PHE  61           HZ       PHE  61  12.268  -2.514   3.867
  595    H    TYR  62           H        TYR  62   7.525  -2.443  -0.283
  596    HA   TYR  62           HA       TYR  62   8.210  -0.235   1.365
  597    HB2  TYR  62           HB2      TYR  62   7.572  -0.501  -1.548
  598    HB3  TYR  62           HB3      TYR  62   7.975   1.058  -0.835
  599    HD1  TYR  62           HD1      TYR  62  10.236   0.878   0.772
  600    HD2  TYR  62           HD2      TYR  62   9.307  -1.515  -2.694
  601    HE1  TYR  62           HE1      TYR  62  12.666   0.545   0.345
  602    HE2  TYR  62           HE2      TYR  62  11.717  -1.911  -3.072
  603    HH   TYR  62           HH       TYR  62  13.862  -1.510  -2.334
  604    H    LEU  63           H        LEU  63   5.123  -0.897  -0.260
  605    HA   LEU  63           HA       LEU  63   3.810   1.531   0.433
  606    HB2  LEU  63           HB2      LEU  63   3.133  -0.037  -1.329
  607    HB3  LEU  63           HB3      LEU  63   2.783  -1.275  -0.126
  608    HG   LEU  63           HG       LEU  63   0.889   0.028   0.728
  609   HD11  LEU  63          HD11      LEU  63   1.709   2.047  -1.407
  610   HD12  LEU  63          HD12      LEU  63   1.570   2.325   0.351
  611   HD13  LEU  63          HD13      LEU  63   0.125   2.025  -0.622
  612   HD21  LEU  63          HD21      LEU  63   0.590  -1.531  -1.208
  613   HD22  LEU  63          HD22      LEU  63   0.892  -0.183  -2.321
  614   HD23  LEU  63          HD23      LEU  63  -0.536  -0.166  -1.271
  615    H    GLY  64           H        GLY  64   4.062  -1.591   2.178
  616    HA2  GLY  64           HA2      GLY  64   2.500  -0.878   4.472
  617    HA3  GLY  64           HA3      GLY  64   3.766  -2.107   4.396
  618    H    GLN  65           H        GLN  65   6.022  -0.400   3.761
  619    HA   GLN  65           HA       GLN  65   6.677   0.685   6.347
  620    HB2  GLN  65           HB2      GLN  65   7.993   1.448   3.711
  621    HB3  GLN  65           HB3      GLN  65   8.622   1.677   5.327
  622    HG2  GLN  65           HG2      GLN  65   8.584  -0.785   3.652
  623    HG3  GLN  65           HG3      GLN  65   9.866  -0.109   4.616
  624   HE21  GLN  65          HE21      GLN  65   7.328  -2.424   4.518
  625   HE22  GLN  65          HE22      GLN  65   7.467  -2.985   6.187
  626    H    TYR  66           H        TYR  66   5.356   2.226   3.395
  627    HA   TYR  66           HA       TYR  66   5.541   4.925   4.371
  628    HB2  TYR  66           HB2      TYR  66   5.323   4.309   1.996
  629    HB3  TYR  66           HB3      TYR  66   3.702   3.709   2.300
  630    HD1  TYR  66           HD1      TYR  66   5.810   6.712   1.997
  631    HD2  TYR  66           HD2      TYR  66   1.800   5.259   2.643
  632    HE1  TYR  66           HE1      TYR  66   4.920   8.956   1.436
  633    HE2  TYR  66           HE2      TYR  66   0.904   7.523   2.061
  634    HH   TYR  66           HH       TYR  66   3.059  10.186   1.005
  635    H    ILE  67           H        ILE  67   2.820   2.570   4.332
  636    HA   ILE  67           HA       ILE  67   0.918   4.178   5.697
  637    HB   ILE  67           HB       ILE  67   1.259   1.159   5.598
  638   HG12  ILE  67          HG12      ILE  67  -0.797   2.831   4.116
  639   HG13  ILE  67          HG13      ILE  67   0.802   2.582   3.434
  640   HG21  ILE  67          HG21      ILE  67  -1.054   2.845   6.649
  641   HG22  ILE  67          HG22      ILE  67  -1.232   1.146   6.213
  642   HG23  ILE  67          HG23      ILE  67  -0.143   1.600   7.522
  643   HD11  ILE  67          HD11      ILE  67  -1.182   0.369   4.094
  644   HD12  ILE  67          HD12      ILE  67  -0.725   0.962   2.491
  645   HD13  ILE  67          HD13      ILE  67   0.473   0.122   3.489
  646    H    MET  68           H        MET  68   3.438   2.022   7.045
  647    HA   MET  68           HA       MET  68   2.759   2.478   9.804
  648    HB2  MET  68           HB2      MET  68   5.282   1.530   8.429
  649    HB3  MET  68           HB3      MET  68   5.215   1.817  10.174
  650    HG2  MET  68           HG2      MET  68   3.218   0.321  10.324
  651    HG3  MET  68           HG3      MET  68   3.457  -0.109   8.631
  652    HE1  MET  68           HE1      MET  68   6.753  -2.144   8.653
  653    HE2  MET  68           HE2      MET  68   5.412  -1.459   7.705
  654    HE3  MET  68           HE3      MET  68   6.669  -0.392   8.371
  655    H    THR  69           H        THR  69   5.371   4.041   7.818
  656    HA   THR  69           HA       THR  69   6.098   5.755   9.969
  657    HB   THR  69           HB       THR  69   7.521   5.059   7.997
  658    HG1  THR  69           HG1      THR  69   8.355   6.437   9.461
  659   HG21  THR  69          HG21      THR  69   6.010   5.969   6.213
  660   HG22  THR  69          HG22      THR  69   7.674   6.560   6.119
  661   HG23  THR  69          HG23      THR  69   6.397   7.614   6.762
  662    H    LYS  70           H        LYS  70   3.766   6.302   7.408
  663    HA   LYS  70           HA       LYS  70   3.080   9.026   8.273
  664    HB2  LYS  70           HB2      LYS  70   1.791   7.025   6.390
  665    HB3  LYS  70           HB3      LYS  70   1.196   8.657   6.635
  666    HG2  LYS  70           HG2      LYS  70   4.098   8.408   5.877
  667    HG3  LYS  70           HG3      LYS  70   2.935   7.905   4.668
  668    HD2  LYS  70           HD2      LYS  70   2.910  10.641   6.009
  669    HD3  LYS  70           HD3      LYS  70   3.658  10.262   4.446
  670    HE2  LYS  70           HE2      LYS  70   1.389   9.368   3.691
  671    HE3  LYS  70           HE3      LYS  70   0.696  10.066   5.156
  672    HZ1  LYS  70           HZ1      LYS  70   1.429  12.252   4.379
  673    HZ2  LYS  70           HZ2      LYS  70   0.522  11.518   3.215
  674    HZ3  LYS  70           HZ3      LYS  70   2.137  11.581   3.054
  675    H    ARG  71           H        ARG  71   2.334   5.945   9.498
  676    HA   ARG  71           HA       ARG  71   0.801   5.031  10.866
  677    HB2  ARG  71           HB2      ARG  71   0.759   7.818  12.070
  678    HB3  ARG  71           HB3      ARG  71   0.146   6.345  12.834
  679    HG2  ARG  71           HG2      ARG  71   2.443   5.332  12.661
  680    HG3  ARG  71           HG3      ARG  71   3.036   6.877  12.028
  681    HD2  ARG  71           HD2      ARG  71   3.548   6.800  14.364
  682    HD3  ARG  71           HD3      ARG  71   2.262   7.992  14.118
  683    HE   ARG  71           HE       ARG  71   1.512   5.203  14.863
  684   HH11  ARG  71          HH11      ARG  71   1.839   8.502  16.022
  685   HH12  ARG  71          HH12      ARG  71   0.816   8.214  17.403
  686   HH21  ARG  71          HH21      ARG  71   0.212   4.919  16.645
  687   HH22  ARG  71          HH22      ARG  71  -0.064   6.236  17.746
  688    H    LEU  72           H        LEU  72  -0.334   5.256   8.574
  689    HA   LEU  72           HA       LEU  72  -2.887   6.707   8.689
  690    HB2  LEU  72           HB2      LEU  72  -1.904   4.766   6.576
  691    HB3  LEU  72           HB3      LEU  72  -3.251   5.878   6.423
  692    HG   LEU  72           HG       LEU  72  -0.350   6.714   6.825
  693   HD11  LEU  72          HD11      LEU  72  -0.391   7.390   4.467
  694   HD12  LEU  72          HD12      LEU  72  -2.017   6.705   4.293
  695   HD13  LEU  72          HD13      LEU  72  -0.624   5.650   4.652
  696   HD21  LEU  72          HD21      LEU  72  -1.886   8.413   7.633
  697   HD22  LEU  72          HD22      LEU  72  -2.854   8.294   6.141
  698   HD23  LEU  72          HD23      LEU  72  -1.197   8.944   6.092
  699    H    TYR  73           H        TYR  73  -2.000   3.792  10.039
  700    HA   TYR  73           HA       TYR  73  -4.491   2.362   9.674
  701    HB2  TYR  73           HB2      TYR  73  -3.719   0.970  11.584
  702    HB3  TYR  73           HB3      TYR  73  -2.677   1.010  10.174
  703    HD1  TYR  73           HD1      TYR  73  -3.052   2.102  13.673
  704    HD2  TYR  73           HD2      TYR  73  -0.406   1.985  10.265
  705    HE1  TYR  73           HE1      TYR  73  -1.154   2.768  15.132
  706    HE2  TYR  73           HE2      TYR  73   1.491   2.699  11.732
  707    HH   TYR  73           HH       TYR  73   1.224   2.857  15.230
  708    H    ASP  74           H        ASP  74  -6.269   2.114  11.061
  709    HA   ASP  74           HA       ASP  74  -7.015   4.388  12.656
  710    HB2  ASP  74           HB2      ASP  74  -8.744   3.318  11.615
  711    HB3  ASP  74           HB3      ASP  74  -8.259   1.735  12.135
  712    H    GLU  75           H        GLU  75  -6.838   4.857  14.794
  713    HA   GLU  75           HA       GLU  75  -5.039   3.375  16.477
  714    HB2  GLU  75           HB2      GLU  75  -5.668   4.950  18.206
  715    HB3  GLU  75           HB3      GLU  75  -5.333   5.777  16.680
  716    HG2  GLU  75           HG2      GLU  75  -7.801   5.961  16.278
  717    HG3  GLU  75           HG3      GLU  75  -8.093   5.195  17.844
  718    H    LYS  76           H        LYS  76  -8.525   3.152  16.026
  719    HA   LYS  76           HA       LYS  76  -8.953   1.476  18.424
  720    HB2  LYS  76           HB2      LYS  76 -10.868   2.008  16.113
  721    HB3  LYS  76           HB3      LYS  76 -11.235   1.271  17.671
  722    HG2  LYS  76           HG2      LYS  76 -10.560   3.399  18.777
  723    HG3  LYS  76           HG3      LYS  76 -10.297   4.136  17.202
  724    HD2  LYS  76           HD2      LYS  76 -12.463   4.834  18.001
  725    HD3  LYS  76           HD3      LYS  76 -12.641   3.811  16.581
  726    HE2  LYS  76           HE2      LYS  76 -14.368   3.253  18.160
  727    HE3  LYS  76           HE3      LYS  76 -13.264   1.887  18.020
  728    HZ1  LYS  76           HZ1      LYS  76 -12.234   2.600  20.125
  729    HZ2  LYS  76           HZ2      LYS  76 -13.834   2.375  20.340
  730    HZ3  LYS  76           HZ3      LYS  76 -13.240   3.886  20.226
  731    H    GLN  77           H        GLN  77  -9.436   0.878  14.926
  732    HA   GLN  77           HA       GLN  77  -8.613  -1.988  15.348
  733    HB2  GLN  77           HB2      GLN  77 -10.550  -0.693  13.414
  734    HB3  GLN  77           HB3      GLN  77  -9.802  -2.251  13.084
  735    HG2  GLN  77           HG2      GLN  77 -11.928  -2.662  14.037
  736    HG3  GLN  77           HG3      GLN  77 -10.687  -3.199  15.161
  737   HE21  GLN  77          HE21      GLN  77 -11.455  -2.855  17.245
  738   HE22  GLN  77          HE22      GLN  77 -12.362  -1.434  17.735
  739    H    GLN  78           H        GLN  78  -6.389  -1.826  15.148
  740    HA   GLN  78           HA       GLN  78  -5.103  -0.213  13.164
  741    HB2  GLN  78           HB2      GLN  78  -4.052  -2.547  14.796
  742    HB3  GLN  78           HB3      GLN  78  -3.053  -1.462  13.813
  743    HG2  GLN  78           HG2      GLN  78  -3.871   0.481  15.163
  744    HG3  GLN  78           HG3      GLN  78  -4.777  -0.626  16.192
  745   HE21  GLN  78          HE21      GLN  78  -3.378   0.585  17.848
  746   HE22  GLN  78          HE22      GLN  78  -1.800  -0.124  18.169
  747    H    HIS  79           H        HIS  79  -6.643  -3.237  12.783
  748    HA   HIS  79           HA       HIS  79  -5.247  -4.034  10.347
  749    HB2  HIS  79           HB2      HIS  79  -6.770  -5.821  10.277
  750    HB3  HIS  79           HB3      HIS  79  -6.396  -5.572  11.980
  751    HD1  HIS  79           HD1      HIS  79  -9.289  -4.779   9.495
  752    HD2  HIS  79           HD2      HIS  79  -8.450  -5.376  13.582
  753    HE1  HIS  79           HE1      HIS  79 -11.540  -4.842  10.690
  754    H    ILE  80           H        ILE  80  -7.110  -1.338  10.844
  755    HA   ILE  80           HA       ILE  80  -8.192  -1.363   8.056
  756    HB   ILE  80           HB       ILE  80  -9.261   0.215  10.418
  757   HG12  ILE  80          HG12      ILE  80 -10.353  -2.306   9.095
  758   HG13  ILE  80          HG13      ILE  80  -9.751  -2.148  10.746
  759   HG21  ILE  80          HG21      ILE  80  -9.570   1.312   8.182
  760   HG22  ILE  80          HG22      ILE  80 -10.420  -0.145   7.621
  761   HG23  ILE  80          HG23      ILE  80 -11.087   0.853   8.926
  762   HD11  ILE  80          HD11      ILE  80 -11.622  -0.528  11.225
  763   HD12  ILE  80          HD12      ILE  80 -12.310  -0.963   9.640
  764   HD13  ILE  80          HD13      ILE  80 -12.114  -2.200  10.890
  765    H    VAL  81           H        VAL  81  -7.534   0.201   6.718
  766    HA   VAL  81           HA       VAL  81  -5.642   2.274   7.741
  767    HB   VAL  81           HB       VAL  81  -5.788   1.245   4.903
  768   HG11  VAL  81          HG11      VAL  81  -3.532   2.301   4.762
  769   HG12  VAL  81          HG12      VAL  81  -4.807   3.482   5.068
  770   HG13  VAL  81          HG13      VAL  81  -3.746   2.947   6.398
  771   HG21  VAL  81          HG21      VAL  81  -3.675   0.050   5.402
  772   HG22  VAL  81          HG22      VAL  81  -3.860   0.453   7.125
  773   HG23  VAL  81          HG23      VAL  81  -5.033  -0.608   6.310
  774    H    TYR  82           H        TYR  82  -6.053   4.358   7.468
  775    HA   TYR  82           HA       TYR  82  -8.447   5.173   5.937
  776    HB2  TYR  82           HB2      TYR  82  -7.349   6.277   8.471
  777    HB3  TYR  82           HB3      TYR  82  -8.337   7.257   7.394
  778    HD1  TYR  82           HD2      TYR  82  -8.327   4.093   9.368
  779    HD2  TYR  82           HD1      TYR  82 -10.704   6.968   7.200
  780    HE1  TYR  82           HE2      TYR  82 -10.407   3.029  10.231
  781    HE2  TYR  82           HE1      TYR  82 -12.781   5.900   8.059
  782    HH   TYR  82           HH       TYR  82 -13.671   4.241   9.367
  783    H    CYS  83           H        CYS  83  -7.601   5.221   3.981
  784    HA   CYS  83           HA       CYS  83  -5.241   6.635   3.220
  785    HB2  CYS  83           HB2      CYS  83  -7.555   5.834   1.418
  786    HB3  CYS  83           HB3      CYS  83  -5.829   5.850   1.050
  787    HG   CYS  83           HG       CYS  83  -6.636   3.397   1.032
  788    H    SER  84           H        SER  84  -8.454   7.779   3.770
  789    HA   SER  84           HA       SER  84  -9.031   9.517   1.765
  790    HB2  SER  84           HB2      SER  84 -10.503   8.942   3.675
  791    HB3  SER  84           HB3      SER  84  -9.572  10.042   4.707
  792    HG   SER  84           HG       SER  84 -11.452  11.036   3.820
  793    H    ASN  85           H        ASN  85  -8.673  11.527   1.102
  794    HA   ASN  85           HA       ASN  85  -7.577  13.403   0.583
  795    HB2  ASN  85           HB2      ASN  85  -7.619  13.795   3.591
  796    HB3  ASN  85           HB3      ASN  85  -7.313  15.067   2.416
  797   HD21  ASN  85          HD21      ASN  85  -9.560  14.662   4.406
  798   HD22  ASN  85          HD22      ASN  85 -10.994  14.860   3.409
  799    H    ASP  86           H        ASP  86  -5.768  11.004   1.224
  800    HA   ASP  86           HA       ASP  86  -3.194  12.520   1.229
  801    HB2  ASP  86           HB2      ASP  86  -3.438  11.369   3.321
  802    HB3  ASP  86           HB3      ASP  86  -3.858   9.861   2.506
  803    H    LEU  87           H        LEU  87  -1.343  11.301   0.199
  804    HA   LEU  87           HA       LEU  87  -1.741  10.604  -2.523
  805    HB2  LEU  87           HB2      LEU  87   0.392  11.306  -1.611
  806    HB3  LEU  87           HB3      LEU  87   0.433   9.917  -0.527
  807    HG   LEU  87           HG       LEU  87   0.685   8.375  -2.439
  808   HD11  LEU  87          HD11      LEU  87   0.749  10.907  -4.140
  809   HD12  LEU  87          HD12      LEU  87  -0.478   9.621  -4.217
  810   HD13  LEU  87          HD13      LEU  87   1.184   9.266  -4.688
  811   HD21  LEU  87          HD21      LEU  87   2.956   9.115  -3.130
  812   HD22  LEU  87          HD22      LEU  87   2.689   9.274  -1.385
  813   HD23  LEU  87          HD23      LEU  87   2.629  10.714  -2.425
  814    H    LEU  88           H        LEU  88  -1.800   8.520   0.416
  815    HA   LEU  88           HA       LEU  88  -1.961   6.040  -0.969
  816    HB2  LEU  88           HB2      LEU  88  -1.530   6.534   1.549
  817    HB3  LEU  88           HB3      LEU  88  -3.287   6.666   1.690
  818    HG   LEU  88           HG       LEU  88  -3.387   4.325   0.623
  819   HD11  LEU  88          HD11      LEU  88  -1.321   2.938   1.002
  820   HD12  LEU  88          HD12      LEU  88  -0.426   4.418   1.369
  821   HD13  LEU  88          HD13      LEU  88  -1.094   4.159  -0.257
  822   HD21  LEU  88          HD21      LEU  88  -2.043   4.488   3.311
  823   HD22  LEU  88          HD22      LEU  88  -2.999   3.139   2.648
  824   HD23  LEU  88          HD23      LEU  88  -3.777   4.691   3.018
  825    H    GLY  89           H        GLY  89  -4.525   8.383  -0.141
  826    HA2  GLY  89           HA2      GLY  89  -6.755   6.699  -0.981
  827    HA3  GLY  89           HA3      GLY  89  -6.779   8.437  -0.645
  828    H    ASP  90           H        ASP  90  -4.758   9.245  -2.497
  829    HA   ASP  90           HA       ASP  90  -6.151   9.296  -5.014
  830    HB2  ASP  90           HB2      ASP  90  -3.339  10.079  -4.227
  831    HB3  ASP  90           HB3      ASP  90  -3.924  10.185  -5.880
  832    H    LEU  91           H        LEU  91  -3.676   7.135  -3.802
  833    HA   LEU  91           HA       LEU  91  -3.402   5.613  -6.270
  834    HB2  LEU  91           HB2      LEU  91  -2.628   5.242  -3.363
  835    HB3  LEU  91           HB3      LEU  91  -2.460   3.912  -4.494
  836    HG   LEU  91           HG       LEU  91  -1.101   6.609  -4.883
  837   HD11  LEU  91          HD11      LEU  91  -0.067   4.013  -3.735
  838   HD12  LEU  91          HD12      LEU  91  -0.319   5.550  -2.886
  839   HD13  LEU  91          HD13      LEU  91   0.917   5.443  -4.150
  840   HD21  LEU  91          HD21      LEU  91   0.259   5.379  -6.500
  841   HD22  LEU  91          HD22      LEU  91  -1.424   5.281  -6.994
  842   HD23  LEU  91          HD23      LEU  91  -0.659   3.890  -6.200
  843    H    PHE  92           H        PHE  92  -4.983   4.732  -3.125
  844    HA   PHE  92           HA       PHE  92  -6.144   2.423  -4.322
  845    HB2  PHE  92           HB2      PHE  92  -6.384   3.629  -1.596
  846    HB3  PHE  92           HB3      PHE  92  -7.418   2.307  -2.086
  847    HD1  PHE  92           HD2      PHE  92  -6.442   0.141  -2.911
  848    HD2  PHE  92           HD1      PHE  92  -4.132   3.122  -0.894
  849    HE1  PHE  92           HE2      PHE  92  -4.728  -1.585  -2.352
  850    HE2  PHE  92           HE1      PHE  92  -2.469   1.400  -0.219
  851    HZ   PHE  92           HZ       PHE  92  -2.760  -0.959  -0.977
  852    H    GLY  93           H        GLY  93  -7.522   5.590  -4.203
  853    HA2  GLY  93           HA2      GLY  93  -9.432   6.361  -5.223
  854    HA3  GLY  93           HA3      GLY  93  -9.774   4.737  -5.825
  855    H    VAL  94           H        VAL  94  -9.344   5.038  -2.391
  856    HA   VAL  94           HA       VAL  94 -12.245   5.275  -1.798
  857    HB   VAL  94           HB       VAL  94 -11.973   3.359  -0.140
  858   HG11  VAL  94          HG11      VAL  94 -13.309   3.165  -2.181
  859   HG12  VAL  94          HG12      VAL  94 -11.875   2.605  -3.077
  860   HG13  VAL  94          HG13      VAL  94 -12.535   1.633  -1.744
  861   HG21  VAL  94          HG21      VAL  94  -9.477   3.126  -0.252
  862   HG22  VAL  94          HG22      VAL  94 -10.360   1.618  -0.529
  863   HG23  VAL  94          HG23      VAL  94  -9.664   2.487  -1.904
  864    HA   PRO  95           HA       PRO  95 -10.594   7.587   1.644
  865    HB2  PRO  95           HB2      PRO  95 -12.624   7.453   3.476
  866    HB3  PRO  95           HB3      PRO  95 -12.759   8.364   1.941
  867    HG2  PRO  95           HG2      PRO  95 -13.727   5.536   2.507
  868    HG3  PRO  95           HG3      PRO  95 -14.650   6.894   1.783
  869    HD2  PRO  95           HD2      PRO  95 -13.460   5.015   0.248
  870    HD3  PRO  95           HD3      PRO  95 -13.463   6.728  -0.253
  871    H    SER  96           H        SER  96 -11.613   4.230   2.159
  872    HA   SER  96           HA       SER  96  -9.371   3.692   3.899
  873    HB2  SER  96           HB2      SER  96 -10.704   2.924   5.843
  874    HB3  SER  96           HB3      SER  96 -10.919   4.655   5.555
  875    HG   SER  96           HG       SER  96 -12.913   3.593   5.947
  876    H    PHE  97           H        PHE  97  -9.243   1.396   4.546
  877    HA   PHE  97           HA       PHE  97 -11.184  -0.505   3.480
  878    HB2  PHE  97           HB2      PHE  97  -9.658  -1.790   2.104
  879    HB3  PHE  97           HB3      PHE  97  -9.748  -0.157   1.481
  880    HD1  PHE  97           HD2      PHE  97  -7.652  -2.543   3.407
  881    HD2  PHE  97           HD1      PHE  97  -7.729   1.214   1.304
  882    HE1  PHE  97           HE2      PHE  97  -5.201  -2.384   3.610
  883    HE2  PHE  97           HE1      PHE  97  -5.245   1.332   1.457
  884    HZ   PHE  97           HZ       PHE  97  -3.983  -0.462   2.655
  885    H    SER  98           H        SER  98 -10.817  -2.685   4.329
  886    HA   SER  98           HA       SER  98  -9.126  -2.793   6.782
  887    HB2  SER  98           HB2      SER  98 -11.443  -3.471   7.073
  888    HB3  SER  98           HB3      SER  98 -11.254  -4.705   5.810
  889    HG   SER  98           HG       SER  98 -10.958  -5.601   7.863
  890    H    VAL  99           H        VAL  99  -7.346  -3.948   6.909
  891    HA   VAL  99           HA       VAL  99  -6.102  -5.202   4.636
  892    HB   VAL  99           HB       VAL  99  -5.153  -5.374   7.477
  893   HG11  VAL  99          HG11      VAL  99  -3.683  -5.378   4.802
  894   HG12  VAL  99          HG12      VAL  99  -2.910  -5.391   6.403
  895   HG13  VAL  99          HG13      VAL  99  -3.874  -6.775   5.896
  896   HG21  VAL  99          HG21      VAL  99  -4.470  -3.157   5.497
  897   HG22  VAL  99          HG22      VAL  99  -5.523  -2.945   6.911
  898   HG23  VAL  99          HG23      VAL  99  -3.831  -3.364   7.133
  899    H    LYS 100           H        LYS 100  -8.331  -6.427   6.925
  900    HA   LYS 100           HA       LYS 100  -7.561  -9.205   6.897
  901    HB2  LYS 100           HB2      LYS 100 -10.219  -7.809   7.391
  902    HB3  LYS 100           HB3      LYS 100 -10.012  -9.561   7.502
  903    HG2  LYS 100           HG2      LYS 100  -8.297  -9.334   9.205
  904    HG3  LYS 100           HG3      LYS 100  -8.362  -7.563   9.112
  905    HD2  LYS 100           HD2      LYS 100 -10.660  -7.556   9.938
  906    HD3  LYS 100           HD3      LYS 100 -10.709  -9.333   9.936
  907    HE2  LYS 100           HE2      LYS 100  -8.982  -9.471  11.625
  908    HE3  LYS 100           HE3      LYS 100  -8.656  -7.740  11.525
  909    HZ1  LYS 100           HZ1      LYS 100 -10.056  -8.374  13.447
  910    HZ2  LYS 100           HZ2      LYS 100 -11.253  -8.849  12.442
  911    HZ3  LYS 100           HZ3      LYS 100 -10.780  -7.272  12.488
  912    H    GLU 101           H        GLU 101  -9.451  -7.332   4.531
  913    HA   GLU 101           HA       GLU 101  -9.875  -9.767   2.907
  914    HB2  GLU 101           HB2      GLU 101 -10.839  -6.926   2.768
  915    HB3  GLU 101           HB3      GLU 101 -10.885  -7.944   1.326
  916    HG2  GLU 101           HG2      GLU 101 -12.051  -8.865   3.983
  917    HG3  GLU 101           HG3      GLU 101 -12.926  -7.916   2.800
  918    H    HIS 102           H        HIS 102  -8.128 -10.499   2.115
  919    HA   HIS 102           HA       HIS 102  -5.875  -8.932   1.209
  920    HB2  HIS 102           HB2      HIS 102  -6.564 -11.841   0.616
  921    HB3  HIS 102           HB3      HIS 102  -5.021 -11.068   0.287
  922    HD1  HIS 102           HD1      HIS 102  -4.314 -13.300   1.852
  923    HD2  HIS 102           HD2      HIS 102  -6.065  -9.963   3.726
  924    HE1  HIS 102           HE1      HIS 102  -3.764 -13.498   4.324
  925    H    ARG 103           H        ARG 103  -8.264 -10.837  -0.622
  926    HA   ARG 103           HA       ARG 103  -7.470 -10.197  -3.250
  927    HB2  ARG 103           HB2      ARG 103  -9.712 -11.006  -3.893
  928    HB3  ARG 103           HB3      ARG 103  -8.945 -12.035  -2.682
  929    HG2  ARG 103           HG2      ARG 103 -10.295 -10.789  -0.907
  930    HG3  ARG 103           HG3      ARG 103 -11.190 -10.014  -2.217
  931    HD2  ARG 103           HD2      ARG 103 -12.102 -12.123  -2.925
  932    HD3  ARG 103           HD3      ARG 103 -11.007 -13.028  -1.853
  933    HE   ARG 103           HE       ARG 103 -12.242 -11.419  -0.060
  934   HH11  ARG 103          HH11      ARG 103 -13.703 -13.548  -2.441
  935   HH12  ARG 103          HH12      ARG 103 -15.158 -13.725  -1.497
  936   HH21  ARG 103          HH21      ARG 103 -14.068 -11.650   1.056
  937   HH22  ARG 103          HH22      ARG 103 -15.354 -12.681   0.460
  938    H    LYS 104           H        LYS 104  -9.582  -8.336  -1.115
  939    HA   LYS 104           HA       LYS 104 -10.488  -6.402  -3.054
  940    HB2  LYS 104           HB2      LYS 104 -11.560  -6.828  -0.848
  941    HB3  LYS 104           HB3      LYS 104 -10.150  -6.126  -0.036
  942    HG2  LYS 104           HG2      LYS 104 -10.588  -3.953  -1.133
  943    HG3  LYS 104           HG3      LYS 104 -11.965  -4.663  -1.998
  944    HD2  LYS 104           HD2      LYS 104 -13.095  -5.094   0.178
  945    HD3  LYS 104           HD3      LYS 104 -11.685  -4.470   1.038
  946    HE2  LYS 104           HE2      LYS 104 -13.361  -2.751   1.018
  947    HE3  LYS 104           HE3      LYS 104 -12.016  -2.239  -0.005
  948    HZ1  LYS 104           HZ1      LYS 104 -14.186  -1.816  -1.042
  949    HZ2  LYS 104           HZ2      LYS 104 -14.570  -3.399  -1.006
  950    HZ3  LYS 104           HZ3      LYS 104 -13.342  -2.871  -1.953
  951    H    ILE 105           H        ILE 105  -7.685  -6.401  -0.806
  952    HA   ILE 105           HA       ILE 105  -6.650  -3.868  -1.765
  953    HB   ILE 105           HB       ILE 105  -5.405  -6.157  -0.223
  954   HG12  ILE 105          HG12      ILE 105  -5.875  -3.270   0.633
  955   HG13  ILE 105          HG13      ILE 105  -7.183  -4.447   0.705
  956   HG21  ILE 105          HG21      ILE 105  -4.114  -3.569  -1.185
  957   HG22  ILE 105          HG22      ILE 105  -3.470  -4.534   0.163
  958   HG23  ILE 105          HG23      ILE 105  -3.545  -5.235  -1.453
  959   HD11  ILE 105          HD11      ILE 105  -4.558  -4.657   2.203
  960   HD12  ILE 105          HD12      ILE 105  -6.185  -4.344   2.827
  961   HD13  ILE 105          HD13      ILE 105  -5.811  -5.931   2.146
  962    H    TYR 106           H        TYR 106  -5.830  -7.281  -2.626
  963    HA   TYR 106           HA       TYR 106  -3.975  -6.564  -4.593
  964    HB2  TYR 106           HB2      TYR 106  -5.591  -9.042  -4.173
  965    HB3  TYR 106           HB3      TYR 106  -4.671  -8.852  -5.647
  966    HD1  TYR 106           HD2      TYR 106  -2.178  -8.306  -5.521
  967    HD2  TYR 106           HD1      TYR 106  -4.462  -9.739  -2.166
  968    HE1  TYR 106           HE2      TYR 106  -0.091  -9.197  -4.483
  969    HE2  TYR 106           HE1      TYR 106  -2.363 -10.543  -1.075
  970    HH   TYR 106           HH       TYR 106  -0.125 -10.954  -1.366
  971    H    THR 107           H        THR 107  -7.481  -6.994  -5.218
  972    HA   THR 107           HA       THR 107  -7.208  -6.369  -7.989
  973    HB   THR 107           HB       THR 107  -9.191  -7.444  -6.887
  974    HG1  THR 107           HG1      THR 107 -10.526  -6.613  -8.492
  975   HG21  THR 107          HG21      THR 107 -10.105  -4.552  -6.558
  976   HG22  THR 107          HG22      THR 107  -9.737  -5.685  -5.239
  977   HG23  THR 107          HG23      THR 107 -11.087  -6.017  -6.328
  978    H    MET 108           H        MET 108  -7.679  -4.134  -5.250
  979    HA   MET 108           HA       MET 108  -7.826  -1.757  -6.894
  980    HB2  MET 108           HB2      MET 108  -6.961  -2.139  -3.993
  981    HB3  MET 108           HB3      MET 108  -7.187  -0.579  -4.814
  982    HG2  MET 108           HG2      MET 108  -9.547  -1.153  -5.276
  983    HG3  MET 108           HG3      MET 108  -9.374  -2.625  -4.336
  984    HE1  MET 108           HE1      MET 108  -8.818  -1.151  -0.669
  985    HE2  MET 108           HE2      MET 108  -8.905  -2.628  -1.650
  986    HE3  MET 108           HE3      MET 108  -7.512  -1.544  -1.799
  987    H    MET 109           H        MET 109  -5.089  -3.396  -5.246
  988    HA   MET 109           HA       MET 109  -3.227  -1.350  -6.075
  989    HB2  MET 109           HB2      MET 109  -1.724  -2.337  -4.686
  990    HB3  MET 109           HB3      MET 109  -3.240  -2.674  -3.916
  991    HG2  MET 109           HG2      MET 109  -2.369  -4.728  -3.688
  992    HG3  MET 109           HG3      MET 109  -2.942  -4.964  -5.331
  993    HE1  MET 109           HE1      MET 109  -0.090  -3.907  -3.042
  994    HE2  MET 109           HE2      MET 109   1.404  -4.216  -3.965
  995    HE3  MET 109           HE3      MET 109   0.416  -2.782  -4.312
  996    H    ALA 110           H        ALA 110  -4.256  -4.374  -7.564
  997    HA   ALA 110           HA       ALA 110  -2.119  -4.529  -9.490
  998    HB1  ALA 110           HB1      ALA 110  -5.044  -5.386  -9.630
  999    HB2  ALA 110           HB2      ALA 110  -3.758  -5.889 -10.760
 1000    HB3  ALA 110           HB3      ALA 110  -3.680  -6.369  -9.058
 1001    H    SER 111           H        SER 111  -4.899  -2.337  -9.231
 1002    HA   SER 111           HA       SER 111  -4.737  -1.296 -11.945
 1003    HB2  SER 111           HB2      SER 111  -6.710  -1.120 -10.355
 1004    HB3  SER 111           HB3      SER 111  -5.794   0.121  -9.476
 1005    HG   SER 111           HG       SER 111  -7.223   0.982 -11.078
 1006    H    MET 112           H        MET 112  -2.735  -0.927  -9.144
 1007    HA   MET 112           HA       MET 112  -1.449   1.563 -10.043
 1008    HB2  MET 112           HB2      MET 112  -0.511  -0.272  -7.836
 1009    HB3  MET 112           HB3      MET 112  -0.106   1.423  -8.118
 1010    HG2  MET 112           HG2      MET 112  -2.356   2.133  -7.554
 1011    HG3  MET 112           HG3      MET 112  -2.892   0.458  -7.406
 1012    HE1  MET 112           HE1      MET 112  -3.870   0.426  -4.992
 1013    HE2  MET 112           HE2      MET 112  -3.236   1.592  -3.807
 1014    HE3  MET 112           HE3      MET 112  -3.773   2.142  -5.416
 1015    H    THR 113           H        THR 113  -1.372  -1.463 -11.243
 1016    HA   THR 113           HA       THR 113   1.365  -1.120 -12.308
 1017    HB   THR 113           HB       THR 113   2.051  -3.253 -12.031
 1018    HG1  THR 113           HG1      THR 113   0.704  -4.970 -11.561
 1019   HG21  THR 113          HG21      THR 113   1.894  -2.186  -9.773
 1020   HG22  THR 113          HG22      THR 113   1.734  -3.949  -9.709
 1021   HG23  THR 113          HG23      THR 113   0.295  -2.941  -9.552
 1022    H    GLY 114           H        GLY 114  -1.830  -2.485 -12.913
 1023    HA2  GLY 114           HA2      GLY 114  -1.431  -2.693 -15.817
 1024    HA3  GLY 114           HA3      GLY 114  -2.905  -2.971 -14.895
 1025    H    GLY 115           H        GLY 115  -3.897  -1.894 -16.682
 1026    HA2  GLY 115           HA2      GLY 115  -5.313  -0.109 -17.191
 1027    HA3  GLY 115           HA3      GLY 115  -4.359   0.983 -16.197
 1028    H    GLN 116           H        GLN 116  -5.371   0.747 -19.177
 1029    HA   GLN 116           HA       GLN 116  -2.955   0.957 -20.780
 1030    HB2  GLN 116           HB2      GLN 116  -5.019  -0.023 -21.619
 1031    HB3  GLN 116           HB3      GLN 116  -5.886   1.505 -21.399
 1032    HG2  GLN 116           HG2      GLN 116  -4.527   2.585 -23.126
 1033    HG3  GLN 116           HG3      GLN 116  -3.484   1.164 -23.242
 1034   HE21  GLN 116          HE21      GLN 116  -4.217   1.659 -25.626
 1035   HE22  GLN 116          HE22      GLN 116  -5.644   0.766 -26.141
 1036    H    GLN 117           H        GLN 117  -5.260   3.332 -19.445
 1037    HA   GLN 117           HA       GLN 117  -3.388   5.558 -19.844
 1038    HB2  GLN 117           HB2      GLN 117  -4.424   5.403 -22.043
 1039    HB3  GLN 117           HB3      GLN 117  -6.042   5.369 -21.334
 1040    HG2  GLN 117           HG2      GLN 117  -5.867   7.673 -20.624
 1041    HG3  GLN 117           HG3      GLN 117  -4.137   7.723 -21.005
 1042   HE21  GLN 117          HE21      GLN 117  -7.348   7.168 -22.613
 1043   HE22  GLN 117          HE22      GLN 117  -6.820   7.834 -24.153
 1044    H    MET 118           H        MET 118  -3.687   7.153 -18.355
 1045    HA   MET 118           HA       MET 118  -5.901   6.945 -16.391
 1046    HB2  MET 118           HB2      MET 118  -3.400   8.671 -16.454
 1047    HB3  MET 118           HB3      MET 118  -4.637   8.726 -15.191
 1048    HG2  MET 118           HG2      MET 118  -4.271   6.295 -14.760
 1049    HG3  MET 118           HG3      MET 118  -2.925   6.313 -15.899
 1050    HE1  MET 118           HE1      MET 118  -0.597   7.381 -15.467
 1051    HE2  MET 118           HE2      MET 118  -1.333   8.996 -15.331
 1052    HE3  MET 118           HE3      MET 118  -0.205   8.426 -14.085
 1053    H    GLY 119           H        GLY 119  -7.284   8.668 -15.880
 1054    HA2  GLY 119           HA2      GLY 119  -7.406  11.234 -17.034
 1055    HA3  GLY 119           HA3      GLY 119  -8.371  10.180 -18.069
  Start of MODEL   11
    1    H1   MET -11           H1       MET -11   4.832  -2.753  19.384
    2    H2   MET -11           H2       MET -11   4.819  -1.173  18.960
    3    H3   MET -11           H3       MET -11   6.208  -2.033  18.864
    4    HA   MET -11           HA       MET -11   5.278  -1.698  16.673
    5    HB2  MET -11           HB2      MET -11   6.621  -3.701  17.080
    6    HB3  MET -11           HB3      MET -11   5.199  -4.580  17.651
    7    HG2  MET -11           HG2      MET -11   4.167  -4.372  15.408
    8    HG3  MET -11           HG3      MET -11   5.590  -3.504  14.830
    9    HE1  MET -11           HE1      MET -11   8.104  -5.112  15.968
   10    HE2  MET -11           HE2      MET -11   8.330  -6.261  14.635
   11    HE3  MET -11           HE3      MET -11   7.888  -4.577  14.282
   12    HA   PRO -10           HA       PRO -10   0.787  -1.656  16.722
   13    HB2  PRO -10           HB2      PRO -10   0.271  -1.005  14.133
   14    HB3  PRO -10           HB3      PRO -10   0.992   0.158  15.284
   15    HG2  PRO -10           HG2      PRO -10   2.456  -1.598  13.275
   16    HG3  PRO -10           HG3      PRO -10   2.620   0.169  13.508
   17    HD2  PRO -10           HD2      PRO -10   4.335  -1.576  14.672
   18    HD3  PRO -10           HD3      PRO -10   3.793  -0.107  15.539
   19    H    ARG  -9           H        ARG  -9  -0.922  -3.003  16.124
   20    HA   ARG  -9           HA       ARG  -9  -0.338  -5.719  15.243
   21    HB2  ARG  -9           HB2      ARG  -9  -3.001  -4.279  15.580
   22    HB3  ARG  -9           HB3      ARG  -9  -2.790  -6.017  15.350
   23    HG2  ARG  -9           HG2      ARG  -9  -1.497  -6.142  17.476
   24    HG3  ARG  -9           HG3      ARG  -9  -1.753  -4.404  17.727
   25    HD2  ARG  -9           HD2      ARG  -9  -4.211  -4.769  17.704
   26    HD3  ARG  -9           HD3      ARG  -9  -3.958  -6.505  17.524
   27    HE   ARG  -9           HE       ARG  -9  -3.562  -4.846  19.934
   28   HH11  ARG  -9          HH11      ARG  -9  -2.990  -8.032  18.577
   29   HH12  ARG  -9          HH12      ARG  -9  -2.812  -8.761  20.149
   30   HH21  ARG  -9          HH21      ARG  -9  -3.300  -5.839  21.894
   31   HH22  ARG  -9          HH22      ARG  -9  -2.979  -7.547  21.971
   32    H    PHE  -8           H        PHE  -8  -1.076  -2.822  13.534
   33    HA   PHE  -8           HA       PHE  -8  -2.148  -3.655  11.131
   34    HB2  PHE  -8           HB2      PHE  -8  -1.820  -1.347  11.433
   35    HB3  PHE  -8           HB3      PHE  -8  -0.110  -1.543  11.765
   36    HD1  PHE  -8           HD1      PHE  -8  -2.650  -1.644   9.054
   37    HD2  PHE  -8           HD2      PHE  -8   1.555  -1.665  10.016
   38    HE1  PHE  -8           HE1      PHE  -8  -2.086  -1.408   6.643
   39    HE2  PHE  -8           HE2      PHE  -8   2.104  -1.450   7.598
   40    HZ   PHE  -8           HZ       PHE  -8   0.287  -1.334   5.919
   41    H    TRP  -7           H        TRP  -7   1.330  -3.920  11.930
   42    HA   TRP  -7           HA       TRP  -7   2.017  -4.747   9.285
   43    HB2  TRP  -7           HB2      TRP  -7   3.599  -3.642  10.699
   44    HB3  TRP  -7           HB3      TRP  -7   3.542  -4.943  11.881
   45    HD1  TRP  -7           HD1      TRP  -7   5.070  -6.990  11.515
   46    HE1  TRP  -7           HE1      TRP  -7   6.754  -7.756   9.737
   47    HE3  TRP  -7           HE3      TRP  -7   4.016  -3.545   7.880
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.493  -7.020   7.047
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.194  -3.647   5.687
   50    HH2  TRP  -7           HH2      TRP  -7   6.916  -5.369   5.260
   51    H    GLU  -6           H        GLU  -6   1.033  -6.702  12.082
   52    HA   GLU  -6           HA       GLU  -6   1.795  -9.248  10.913
   53    HB2  GLU  -6           HB2      GLU  -6  -0.394  -8.578  12.935
   54    HB3  GLU  -6           HB3      GLU  -6   0.162 -10.205  12.502
   55    HG2  GLU  -6           HG2      GLU  -6   2.480  -9.547  13.243
   56    HG3  GLU  -6           HG3      GLU  -6   1.816  -8.021  13.839
   57    H    TYR  -5           H        TYR  -5  -1.191  -7.272  10.739
   58    HA   TYR  -5           HA       TYR  -5  -2.549  -9.046   8.923
   59    HB2  TYR  -5           HB2      TYR  -5  -3.020  -6.204   9.757
   60    HB3  TYR  -5           HB3      TYR  -5  -3.863  -6.888   8.381
   61    HD1  TYR  -5           HD1      TYR  -5  -5.405  -8.776   8.575
   62    HD2  TYR  -5           HD2      TYR  -5  -3.580  -6.966  12.042
   63    HE1  TYR  -5           HE1      TYR  -5  -7.104  -9.855  10.036
   64    HE2  TYR  -5           HE2      TYR  -5  -5.299  -8.026  13.500
   65    HH   TYR  -5           HH       TYR  -5  -7.117  -9.428  13.593
   66    H    TRP  -4           H        TRP  -4  -0.456  -6.257   8.327
   67    HA   TRP  -4           HA       TRP  -4  -0.798  -6.252   5.478
   68    HB2  TRP  -4           HB2      TRP  -4   0.074  -4.391   6.980
   69    HB3  TRP  -4           HB3      TRP  -4   1.608  -5.265   7.064
   70    HD1  TRP  -4           HD1      TRP  -4   3.072  -5.362   4.823
   71    HE1  TRP  -4           HE1      TRP  -4   2.946  -4.153   2.557
   72    HE3  TRP  -4           HE3      TRP  -4  -1.623  -3.372   5.212
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.940  -2.838   0.982
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.668  -2.247   3.264
   75    HH2  TRP  -4           HH2      TRP  -4  -1.412  -1.977   1.146
   76    H    LEU  -3           H        LEU  -3   1.653  -7.872   7.570
   77    HA   LEU  -3           HA       LEU  -3   3.145  -9.020   5.431
   78    HB2  LEU  -3           HB2      LEU  -3   3.770  -8.789   7.902
   79    HB3  LEU  -3           HB3      LEU  -3   2.695 -10.151   8.216
   80    HG   LEU  -3           HG       LEU  -3   4.154 -11.474   6.528
   81   HD11  LEU  -3          HD11      LEU  -3   5.286  -9.486   5.499
   82   HD12  LEU  -3          HD12      LEU  -3   6.447 -10.614   6.215
   83   HD13  LEU  -3          HD13      LEU  -3   6.013  -9.118   7.075
   84   HD21  LEU  -3          HD21      LEU  -3   5.414 -10.445   9.102
   85   HD22  LEU  -3          HD22      LEU  -3   5.889 -11.916   8.220
   86   HD23  LEU  -3          HD23      LEU  -3   4.283 -11.808   8.959
   87    H    ARG  -2           H        ARG  -2   0.108  -9.967   6.921
   88    HA   ARG  -2           HA       ARG  -2  -0.053 -12.657   5.896
   89    HB2  ARG  -2           HB2      ARG  -2  -1.715 -10.851   7.460
   90    HB3  ARG  -2           HB3      ARG  -2  -2.679 -11.617   6.216
   91    HG2  ARG  -2           HG2      ARG  -2  -0.876 -13.072   8.175
   92    HG3  ARG  -2           HG3      ARG  -2  -2.615 -12.843   8.385
   93    HD2  ARG  -2           HD2      ARG  -2  -1.314 -14.416   6.110
   94    HD3  ARG  -2           HD3      ARG  -2  -2.055 -15.094   7.562
   95    HE   ARG  -2           HE       ARG  -2  -3.749 -13.342   5.854
   96   HH11  ARG  -2          HH11      ARG  -2  -3.015 -16.683   6.655
   97   HH12  ARG  -2          HH12      ARG  -2  -4.557 -17.234   6.062
   98   HH21  ARG  -2          HH21      ARG  -2  -5.633 -14.068   5.207
   99   HH22  ARG  -2          HH22      ARG  -2  -6.027 -15.778   5.239
  100    H    LEU  -1           H        LEU  -1  -0.793  -9.565   4.463
  101    HA   LEU  -1           HA       LEU  -1  -2.150 -10.455   2.108
  102    HB2  LEU  -1           HB2      LEU  -1  -0.101  -8.231   2.421
  103    HB3  LEU  -1           HB3      LEU  -1  -1.111  -8.445   1.012
  104    HG   LEU  -1           HG       LEU  -1  -2.180  -7.817   3.794
  105   HD11  LEU  -1          HD11      LEU  -1  -2.538  -5.554   2.814
  106   HD12  LEU  -1          HD12      LEU  -1  -1.706  -6.071   1.336
  107   HD13  LEU  -1          HD13      LEU  -1  -0.819  -5.989   2.867
  108   HD21  LEU  -1          HD21      LEU  -1  -3.769  -8.990   2.235
  109   HD22  LEU  -1          HD22      LEU  -1  -3.534  -7.690   1.055
  110   HD23  LEU  -1          HD23      LEU  -1  -4.261  -7.344   2.645
  111    H    MET   0           H        MET   0   1.380 -10.009   2.675
  112    HA   MET   0           HA       MET   0   1.978 -11.028   0.024
  113    HB2  MET   0           HB2      MET   0   4.192 -10.392   0.435
  114    HB3  MET   0           HB3      MET   0   3.197  -9.157   1.163
  115    HG2  MET   0           HG2      MET   0   3.700  -9.886   3.373
  116    HG3  MET   0           HG3      MET   0   4.338 -11.432   2.821
  117    HE1  MET   0           HE1      MET   0   5.204  -7.804   1.379
  118    HE2  MET   0           HE2      MET   0   4.945  -7.631   3.146
  119    HE3  MET   0           HE3      MET   0   6.568  -7.428   2.445
  120    H    GLU   1           H        GLU   1   2.027 -12.432   3.271
  121    HA   GLU   1           HA       GLU   1   3.420 -14.880   2.478
  122    HB2  GLU   1           HB2      GLU   1   1.849 -14.056   4.944
  123    HB3  GLU   1           HB3      GLU   1   2.577 -15.642   4.776
  124    HG2  GLU   1           HG2      GLU   1   4.141 -13.026   4.631
  125    HG3  GLU   1           HG3      GLU   1   3.927 -13.986   6.091
  126    H    GLY   2           H        GLY   2  -0.033 -13.992   2.919
  127    HA2  GLY   2           HA2      GLY   2  -1.011 -16.693   2.384
  128    HA3  GLY   2           HA3      GLY   2  -1.955 -15.205   2.519
  129    H    GLY   3           H        GLY   3  -1.009 -13.591   0.580
  130    HA2  GLY   3           HA2      GLY   3  -1.191 -13.051  -1.631
  131    HA3  GLY   3           HA3      GLY   3  -0.628 -14.665  -2.016
  132    H    GLY   4           H        GLY   4  -2.231 -13.829  -3.839
  133    HA2  GLY   4           HA2      GLY   4  -4.548 -15.545  -3.728
  134    HA3  GLY   4           HA3      GLY   4  -5.006 -13.841  -3.670
  135    H    GLU   5           H        GLU   5  -5.783 -15.556  -5.709
  136    HA   GLU   5           HA       GLU   5  -4.072 -15.774  -7.932
  137    HB2  GLU   5           HB2      GLU   5  -6.025 -16.508  -9.144
  138    HB3  GLU   5           HB3      GLU   5  -6.035 -17.177  -7.511
  139    HG2  GLU   5           HG2      GLU   5  -7.673 -15.416  -6.818
  140    HG3  GLU   5           HG3      GLU   5  -7.680 -14.788  -8.469
  141    H    ASN   6           H        ASN   6  -5.720 -12.922  -6.949
  142    HA   ASN   6           HA       ASN   6  -5.876 -11.620  -9.544
  143    HB2  ASN   6           HB2      ASN   6  -5.922 -10.589  -6.682
  144    HB3  ASN   6           HB3      ASN   6  -6.153  -9.559  -8.093
  145   HD21  ASN   6          HD21      ASN   6  -8.144  -9.668  -9.255
  146   HD22  ASN   6          HD22      ASN   6  -9.507 -10.561  -8.602
  147    H    LEU   7           H        LEU   7  -3.183 -12.323  -7.474
  148    HA   LEU   7           HA       LEU   7  -1.501 -10.100  -8.413
  149    HB2  LEU   7           HB2      LEU   7  -0.813 -12.620  -6.861
  150    HB3  LEU   7           HB3      LEU   7   0.284 -11.277  -7.168
  151    HG   LEU   7           HG       LEU   7  -2.287 -11.091  -5.521
  152   HD11  LEU   7          HD11      LEU   7  -0.523 -12.445  -4.441
  153   HD12  LEU   7          HD12      LEU   7  -0.794 -10.915  -3.595
  154   HD13  LEU   7          HD13      LEU   7   0.628 -11.104  -4.643
  155   HD21  LEU   7          HD21      LEU   7  -0.049  -9.072  -6.007
  156   HD22  LEU   7          HD22      LEU   7  -1.341  -8.892  -4.806
  157   HD23  LEU   7          HD23      LEU   7  -1.746  -8.915  -6.524
  158    H    TYR   8           H        TYR   8  -0.099 -10.108 -10.019
  159    HA   TYR   8           HA       TYR   8   0.864 -10.514 -11.915
  160    HB2  TYR   8           HB2      TYR   8   1.407 -13.198 -10.732
  161    HB3  TYR   8           HB3      TYR   8   1.966 -12.767 -12.334
  162    HD1  TYR   8           HD2      TYR   8   3.464 -10.731 -12.684
  163    HD2  TYR   8           HD1      TYR   8   2.530 -12.350  -8.793
  164    HE1  TYR   8           HE2      TYR   8   5.387  -9.487 -11.704
  165    HE2  TYR   8           HE1      TYR   8   4.479 -11.124  -7.828
  166    HH   TYR   8           HH       TYR   8   6.733  -9.245  -9.793
  167    H    PHE   9           H        PHE   9   0.954 -11.122 -14.041
  168    HA   PHE   9           HA       PHE   9  -1.709 -11.801 -15.054
  169    HB2  PHE   9           HB2      PHE   9  -0.768 -10.898 -17.234
  170    HB3  PHE   9           HB3      PHE   9  -1.073  -9.807 -15.898
  171    HD1  PHE   9           HD1      PHE   9   1.574 -11.431 -17.902
  172    HD2  PHE   9           HD2      PHE   9   0.734  -8.653 -14.710
  173    HE1  PHE   9           HE1      PHE   9   3.931 -10.645 -17.962
  174    HE2  PHE   9           HE2      PHE   9   3.095  -7.877 -14.769
  175    HZ   PHE   9           HZ       PHE   9   4.695  -8.875 -16.387
  176    H    GLN  10           H        GLN  10   1.235 -13.506 -14.879
  177    HA   GLN  10           HA       GLN  10   0.182 -15.760 -16.412
  178    HB2  GLN  10           HB2      GLN  10   1.945 -15.825 -18.075
  179    HB3  GLN  10           HB3      GLN  10   1.086 -14.310 -18.181
  180    HG2  GLN  10           HG2      GLN  10   3.268 -13.610 -18.440
  181    HG3  GLN  10           HG3      GLN  10   2.997 -13.290 -16.737
  182   HE21  GLN  10          HE21      GLN  10   5.306 -13.344 -16.326
  183   HE22  GLN  10          HE22      GLN  10   6.182 -14.867 -16.370
  184    H    GLY  11           H        GLY  11   1.724 -17.636 -16.368
  185    HA2  GLY  11           HA2      GLY  11   3.314 -19.011 -15.376
  186    HA3  GLY  11           HA3      GLY  11   3.962 -17.622 -14.513
  187    H    MET  12           H        MET  12   4.016 -18.192 -12.404
  188    HA   MET  12           HA       MET  12   2.280 -20.062 -11.115
  189    HB2  MET  12           HB2      MET  12   4.059 -17.891  -9.932
  190    HB3  MET  12           HB3      MET  12   3.269 -19.164  -8.999
  191    HG2  MET  12           HG2      MET  12   5.320 -19.620 -11.198
  192    HG3  MET  12           HG3      MET  12   5.630 -19.664  -9.467
  193    HE1  MET  12           HE1      MET  12   6.800 -21.995  -9.661
  194    HE2  MET  12           HE2      MET  12   6.077 -23.405 -10.466
  195    HE3  MET  12           HE3      MET  12   6.522 -21.972 -11.419
  196    H    SER  13           H        SER  13   0.466 -19.870  -9.895
  197    HA   SER  13           HA       SER  13  -1.291 -17.708 -10.465
  198    HB2  SER  13           HB2      SER  13  -1.972 -20.080 -10.070
  199    HB3  SER  13           HB3      SER  13  -1.540 -19.891  -8.362
  200    HG   SER  13           HG       SER  13  -3.626 -18.609  -9.815
  201    H    VAL  14           H        VAL  14   0.852 -18.168  -7.896
  202    HA   VAL  14           HA       VAL  14   0.141 -15.611  -6.610
  203    HB   VAL  14           HB       VAL  14   0.422 -18.131  -4.951
  204   HG11  VAL  14          HG11      VAL  14   1.149 -16.086  -3.761
  205   HG12  VAL  14          HG12      VAL  14  -0.394 -15.302  -4.185
  206   HG13  VAL  14          HG13      VAL  14  -0.354 -16.712  -3.097
  207   HG21  VAL  14          HG21      VAL  14  -1.748 -18.255  -6.049
  208   HG22  VAL  14          HG22      VAL  14  -1.975 -17.816  -4.359
  209   HG23  VAL  14          HG23      VAL  14  -2.096 -16.566  -5.615
  210    HA   PRO  15           HA       PRO  15   4.673 -15.616  -6.404
  211    HB2  PRO  15           HB2      PRO  15   5.137 -13.109  -5.491
  212    HB3  PRO  15           HB3      PRO  15   4.395 -13.414  -7.085
  213    HG2  PRO  15           HG2      PRO  15   2.950 -12.811  -4.474
  214    HG3  PRO  15           HG3      PRO  15   2.769 -11.968  -6.046
  215    HD2  PRO  15           HD2      PRO  15   1.101 -13.994  -5.281
  216    HD3  PRO  15           HD3      PRO  15   1.583 -13.769  -6.986
  217    H    THR  16           H        THR  16   3.574 -17.245  -4.477
  218    HA   THR  16           HA       THR  16   3.842 -16.394  -1.833
  219    HB   THR  16           HB       THR  16   4.139 -19.303  -2.376
  220    HG1  THR  16           HG1      THR  16   1.974 -19.436  -2.868
  221   HG21  THR  16          HG21      THR  16   2.492 -19.455  -0.564
  222   HG22  THR  16          HG22      THR  16   2.328 -17.685  -0.532
  223   HG23  THR  16          HG23      THR  16   3.860 -18.452  -0.057
  224    H    ASP  17           H        ASP  17   6.202 -18.443  -3.555
  225    HA   ASP  17           HA       ASP  17   8.385 -17.473  -1.895
  226    HB2  ASP  17           HB2      ASP  17   9.049 -19.803  -1.170
  227    HB3  ASP  17           HB3      ASP  17   7.729 -19.014  -0.334
  228    H    GLY  18           H        GLY  18  10.512 -18.349  -2.401
  229    HA2  GLY  18           HA2      GLY  18  10.964 -18.518  -5.283
  230    HA3  GLY  18           HA3      GLY  18  12.178 -18.511  -4.013
  231    H    ALA  19           H        ALA  19  12.275 -20.154  -6.302
  232    HA   ALA  19           HA       ALA  19  11.398 -22.851  -5.745
  233    HB1  ALA  19           HB1      ALA  19  13.418 -21.772  -7.757
  234    HB2  ALA  19           HB2      ALA  19  12.688 -23.391  -7.773
  235    HB3  ALA  19           HB3      ALA  19  11.668 -21.964  -8.029
  236    H    VAL  20           H        VAL  20  12.688 -24.701  -5.398
  237    HA   VAL  20           HA       VAL  20  15.444 -24.429  -4.356
  238    HB   VAL  20           HB       VAL  20  14.959 -25.799  -2.379
  239   HG11  VAL  20          HG11      VAL  20  13.993 -24.081  -0.969
  240   HG12  VAL  20          HG12      VAL  20  15.070 -23.346  -2.166
  241   HG13  VAL  20          HG13      VAL  20  13.301 -23.251  -2.369
  242   HG21  VAL  20          HG21      VAL  20  12.681 -26.055  -1.498
  243   HG22  VAL  20          HG22      VAL  20  12.001 -25.345  -2.975
  244   HG23  VAL  20          HG23      VAL  20  12.851 -26.907  -3.032
  245    H    THR  21           H        THR  21  16.673 -26.292  -4.503
  246    HA   THR  21           HA       THR  21  15.666 -28.397  -6.288
  247    HB   THR  21           HB       THR  21  17.828 -29.032  -6.740
  248    HG1  THR  21           HG1      THR  21  19.585 -28.411  -5.496
  249   HG21  THR  21          HG21      THR  21  17.306 -26.724  -7.615
  250   HG22  THR  21          HG22      THR  21  19.032 -27.053  -7.401
  251   HG23  THR  21          HG23      THR  21  18.176 -26.043  -6.220
  252    H    THR  22           H        THR  22  15.899 -28.066  -2.956
  253    HA   THR  22           HA       THR  22  15.253 -30.863  -2.469
  254    HB   THR  22           HB       THR  22  17.761 -30.780  -2.505
  255    HG1  THR  22           HG1      THR  22  17.876 -32.107  -0.737
  256   HG21  THR  22          HG21      THR  22  18.948 -29.946  -0.555
  257   HG22  THR  22          HG22      THR  22  17.449 -29.339   0.175
  258   HG23  THR  22          HG23      THR  22  18.087 -28.601  -1.314
  259    H    SER  23           H        SER  23  15.132 -31.147   0.118
  260    HA   SER  23           HA       SER  23  13.005 -29.342   0.974
  261    HB2  SER  23           HB2      SER  23  13.002 -31.751   1.488
  262    HB3  SER  23           HB3      SER  23  14.433 -31.538   2.513
  263    HG   SER  23           HG       SER  23  12.448 -31.481   3.701
  264    H    GLN  24           H        GLN  24  13.856 -27.308   1.097
  265    HA   GLN  24           HA       GLN  24  15.197 -26.521   3.567
  266    HB2  GLN  24           HB2      GLN  24  17.003 -25.287   2.451
  267    HB3  GLN  24           HB3      GLN  24  17.172 -27.014   2.198
  268    HG2  GLN  24           HG2      GLN  24  16.566 -26.877  -0.092
  269    HG3  GLN  24           HG3      GLN  24  15.810 -25.298   0.092
  270   HE21  GLN  24          HE21      GLN  24  17.210 -23.387   0.449
  271   HE22  GLN  24          HE22      GLN  24  18.904 -23.474  -0.049
  272    H    ILE  25           H        ILE  25  15.413 -24.059   3.621
  273    HA   ILE  25           HA       ILE  25  13.018 -22.741   2.643
  274    HB   ILE  25           HB       ILE  25  14.411 -20.623   3.454
  275   HG12  ILE  25          HG12      ILE  25  15.811 -21.073   5.397
  276   HG13  ILE  25          HG13      ILE  25  15.752 -22.808   5.121
  277   HG21  ILE  25          HG21      ILE  25  13.440 -20.987   5.684
  278   HG22  ILE  25          HG22      ILE  25  12.321 -21.473   4.406
  279   HG23  ILE  25          HG23      ILE  25  13.214 -22.711   5.315
  280   HD11  ILE  25          HD11      ILE  25  16.967 -20.780   3.183
  281   HD12  ILE  25          HD12      ILE  25  17.882 -21.714   4.384
  282   HD13  ILE  25          HD13      ILE  25  17.068 -22.554   3.060
  283    HA   PRO  26           HA       PRO  26  14.270 -21.290  -1.312
  284    HB2  PRO  26           HB2      PRO  26  13.405 -18.519  -0.496
  285    HB3  PRO  26           HB3      PRO  26  13.016 -19.442  -1.979
  286    HG2  PRO  26           HG2      PRO  26  11.207 -19.279   0.028
  287    HG3  PRO  26           HG3      PRO  26  11.495 -20.859  -0.777
  288    HD2  PRO  26           HD2      PRO  26  12.633 -19.854   1.848
  289    HD3  PRO  26           HD3      PRO  26  11.893 -21.437   1.463
  290    H    ALA  27           H        ALA  27  16.293 -20.997  -2.032
  291    HA   ALA  27           HA       ALA  27  18.303 -19.469  -0.561
  292    HB1  ALA  27           HB1      ALA  27  18.380 -20.841  -3.288
  293    HB2  ALA  27           HB2      ALA  27  19.781 -20.238  -2.377
  294    HB3  ALA  27           HB3      ALA  27  18.821 -21.582  -1.732
  295    H    SER  28           H        SER  28  16.263 -18.921  -3.391
  296    HA   SER  28           HA       SER  28  16.666 -16.057  -3.387
  297    HB2  SER  28           HB2      SER  28  18.689 -16.901  -4.666
  298    HB3  SER  28           HB3      SER  28  17.579 -17.603  -5.854
  299    HG   SER  28           HG       SER  28  18.356 -15.483  -6.413
  300    H    GLU  29           H        GLU  29  15.377 -15.129  -5.332
  301    HA   GLU  29           HA       GLU  29  13.197 -16.801  -6.347
  302    HB2  GLU  29           HB2      GLU  29  11.399 -15.402  -5.557
  303    HB3  GLU  29           HB3      GLU  29  12.224 -16.142  -4.206
  304    HG2  GLU  29           HG2      GLU  29  12.718 -13.265  -5.125
  305    HG3  GLU  29           HG3      GLU  29  11.484 -13.718  -3.969
  306    H    GLN  30           H        GLN  30  12.069 -15.865  -8.137
  307    HA   GLN  30           HA       GLN  30  13.800 -14.288  -9.792
  308    HB2  GLN  30           HB2      GLN  30  12.285 -16.065 -10.628
  309    HB3  GLN  30           HB3      GLN  30  10.887 -15.048 -10.240
  310    HG2  GLN  30           HG2      GLN  30  11.689 -13.332 -11.854
  311    HG3  GLN  30           HG3      GLN  30  13.126 -14.305 -12.187
  312   HE21  GLN  30          HE21      GLN  30   9.563 -14.206 -12.501
  313   HE22  GLN  30          HE22      GLN  30   9.487 -15.437 -13.767
  314    H    GLU  31           H        GLU  31  13.903 -12.181 -10.207
  315    HA   GLU  31           HA       GLU  31  12.337 -10.247  -8.729
  316    HB2  GLU  31           HB2      GLU  31  14.390  -9.753 -10.928
  317    HB3  GLU  31           HB3      GLU  31  13.790  -8.622  -9.726
  318    HG2  GLU  31           HG2      GLU  31  15.792  -9.141  -8.805
  319    HG3  GLU  31           HG3      GLU  31  14.751 -10.272  -7.951
  320    H    THR  32           H        THR  32  10.417 -11.589 -10.206
  321    HA   THR  32           HA       THR  32   9.909 -10.548 -12.753
  322    HB   THR  32           HB       THR  32   7.547 -11.259 -11.143
  323    HG1  THR  32           HG1      THR  32   8.065 -13.299 -10.953
  324   HG21  THR  32          HG21      THR  32   6.945 -12.501 -13.174
  325   HG22  THR  32          HG22      THR  32   8.507 -12.078 -13.910
  326   HG23  THR  32          HG23      THR  32   7.310 -10.810 -13.548
  327    H    LEU  33           H        LEU  33   9.232  -8.734 -13.582
  328    HA   LEU  33           HA       LEU  33   8.721  -6.531 -11.705
  329    HB2  LEU  33           HB2      LEU  33   9.234  -6.378 -14.682
  330    HB3  LEU  33           HB3      LEU  33   9.265  -5.045 -13.536
  331    HG   LEU  33           HG       LEU  33  11.211  -7.403 -13.562
  332   HD11  LEU  33          HD11      LEU  33  11.526  -5.951 -15.478
  333   HD12  LEU  33          HD12      LEU  33  12.847  -5.715 -14.322
  334   HD13  LEU  33          HD13      LEU  33  11.537  -4.516 -14.438
  335   HD21  LEU  33          HD21      LEU  33  12.524  -6.084 -11.947
  336   HD22  LEU  33          HD22      LEU  33  10.948  -6.494 -11.275
  337   HD23  LEU  33          HD23      LEU  33  11.249  -4.854 -11.878
  338    H    VAL  34           H        VAL  34   7.000  -5.303 -11.510
  339    HA   VAL  34           HA       VAL  34   4.511  -6.111 -12.899
  340    HB   VAL  34           HB       VAL  34   3.294  -5.195 -11.136
  341   HG11  VAL  34          HG11      VAL  34   4.486  -7.279 -10.579
  342   HG12  VAL  34          HG12      VAL  34   5.815  -6.321  -9.890
  343   HG13  VAL  34          HG13      VAL  34   4.211  -6.248  -9.152
  344   HG21  VAL  34          HG21      VAL  34   5.817  -3.786 -10.173
  345   HG22  VAL  34          HG22      VAL  34   4.317  -3.027 -10.756
  346   HG23  VAL  34          HG23      VAL  34   4.328  -3.919  -9.238
  347    H    ARG  35           H        ARG  35   6.642  -3.451 -12.924
  348    HA   ARG  35           HA       ARG  35   6.624  -1.317 -13.584
  349    HB2  ARG  35           HB2      ARG  35   6.482  -2.301 -15.764
  350    HB3  ARG  35           HB3      ARG  35   4.734  -2.414 -15.668
  351    HG2  ARG  35           HG2      ARG  35   5.349  -0.679 -17.162
  352    HG3  ARG  35           HG3      ARG  35   4.516   0.036 -15.802
  353    HD2  ARG  35           HD2      ARG  35   7.540  -0.012 -16.096
  354    HD3  ARG  35           HD3      ARG  35   6.528   1.280 -16.749
  355    HE   ARG  35           HE       ARG  35   5.712   1.516 -14.261
  356   HH11  ARG  35          HH11      ARG  35   9.041   1.144 -15.338
  357   HH12  ARG  35          HH12      ARG  35   9.645   1.692 -13.778
  358   HH21  ARG  35          HH21      ARG  35   6.609   2.339 -12.430
  359   HH22  ARG  35          HH22      ARG  35   8.371   2.343 -12.248
  360    HA   PRO  36           HA       PRO  36   2.918  -0.041 -11.165
  361    HB2  PRO  36           HB2      PRO  36   4.243   1.414  -9.254
  362    HB3  PRO  36           HB3      PRO  36   3.999  -0.359  -9.163
  363    HG2  PRO  36           HG2      PRO  36   6.463   1.158  -9.981
  364    HG3  PRO  36           HG3      PRO  36   6.303  -0.336  -8.992
  365    HD2  PRO  36           HD2      PRO  36   6.949  -0.285 -11.697
  366    HD3  PRO  36           HD3      PRO  36   6.210  -1.673 -10.867
  367    H    LYS  37           H        LYS  37   1.897   2.018 -11.154
  368    HA   LYS  37           HA       LYS  37   2.718   3.819 -13.218
  369    HB2  LYS  37           HB2      LYS  37   0.802   5.155 -12.641
  370    HB3  LYS  37           HB3      LYS  37   0.372   3.452 -12.621
  371    HG2  LYS  37           HG2      LYS  37   0.365   3.454 -10.142
  372    HG3  LYS  37           HG3      LYS  37   0.987   5.099 -10.142
  373    HD2  LYS  37           HD2      LYS  37  -1.190   5.561  -9.764
  374    HD3  LYS  37           HD3      LYS  37  -1.196   5.695 -11.510
  375    HE2  LYS  37           HE2      LYS  37  -2.073   3.281  -9.862
  376    HE3  LYS  37           HE3      LYS  37  -3.158   4.510 -10.487
  377    HZ1  LYS  37           HZ1      LYS  37  -2.673   3.883 -12.709
  378    HZ2  LYS  37           HZ2      LYS  37  -3.086   2.514 -11.908
  379    HZ3  LYS  37           HZ3      LYS  37  -1.515   2.800 -12.271
  380    HA   PRO  38           HA       PRO  38   5.543   6.632 -11.400
  381    HB2  PRO  38           HB2      PRO  38   3.824   8.905 -12.409
  382    HB3  PRO  38           HB3      PRO  38   5.596   8.681 -12.549
  383    HG2  PRO  38           HG2      PRO  38   4.015   8.112 -14.658
  384    HG3  PRO  38           HG3      PRO  38   5.315   6.961 -14.202
  385    HD2  PRO  38           HD2      PRO  38   2.359   6.813 -13.546
  386    HD3  PRO  38           HD3      PRO  38   3.451   5.536 -14.163
  387    H    LEU  39           H        LEU  39   2.142   7.482 -10.727
  388    HA   LEU  39           HA       LEU  39   2.538   9.046  -8.387
  389    HB2  LEU  39           HB2      LEU  39   0.442   8.797  -9.802
  390    HB3  LEU  39           HB3      LEU  39   0.235   7.198  -9.100
  391    HG   LEU  39           HG       LEU  39   0.100   8.323  -6.806
  392   HD11  LEU  39          HD11      LEU  39   1.121  10.500  -7.394
  393   HD12  LEU  39          HD12      LEU  39  -0.547  10.738  -6.850
  394   HD13  LEU  39          HD13      LEU  39  -0.167  10.800  -8.582
  395   HD21  LEU  39          HD21      LEU  39  -1.993   9.079  -8.881
  396   HD22  LEU  39          HD22      LEU  39  -2.226   9.011  -7.119
  397   HD23  LEU  39          HD23      LEU  39  -1.892   7.527  -8.018
  398    H    LEU  40           H        LEU  40   2.469   5.517  -8.818
  399    HA   LEU  40           HA       LEU  40   2.513   4.953  -5.948
  400    HB2  LEU  40           HB2      LEU  40   1.446   3.404  -7.569
  401    HB3  LEU  40           HB3      LEU  40   2.984   3.176  -8.371
  402    HG   LEU  40           HG       LEU  40   3.948   2.127  -6.379
  403   HD11  LEU  40          HD11      LEU  40   1.204   2.602  -5.149
  404   HD12  LEU  40          HD12      LEU  40   2.743   3.262  -4.568
  405   HD13  LEU  40          HD13      LEU  40   2.439   1.525  -4.454
  406   HD21  LEU  40          HD21      LEU  40   2.999   0.083  -6.721
  407   HD22  LEU  40          HD22      LEU  40   2.249   0.918  -8.090
  408   HD23  LEU  40          HD23      LEU  40   1.339   0.677  -6.596
  409    H    LEU  41           H        LEU  41   4.843   4.954  -8.653
  410    HA   LEU  41           HA       LEU  41   7.145   4.184  -7.208
  411    HB2  LEU  41           HB2      LEU  41   7.065   4.303  -9.622
  412    HB3  LEU  41           HB3      LEU  41   6.785   6.042  -9.577
  413    HG   LEU  41           HG       LEU  41   9.009   6.458  -8.694
  414   HD11  LEU  41          HD11      LEU  41   9.329   3.431  -8.818
  415   HD12  LEU  41          HD12      LEU  41   9.516   4.461  -7.374
  416   HD13  LEU  41          HD13      LEU  41  10.691   4.558  -8.686
  417   HD21  LEU  41          HD21      LEU  41  10.289   5.816 -10.684
  418   HD22  LEU  41          HD22      LEU  41   8.656   6.332 -11.133
  419   HD23  LEU  41          HD23      LEU  41   9.063   4.601 -11.106
  420    H    LYS  42           H        LYS  42   5.748   7.480  -7.528
  421    HA   LYS  42           HA       LYS  42   7.604   8.903  -5.915
  422    HB2  LYS  42           HB2      LYS  42   5.792   9.924  -7.251
  423    HB3  LYS  42           HB3      LYS  42   4.581   9.192  -6.197
  424    HG2  LYS  42           HG2      LYS  42   5.610  10.539  -4.263
  425    HG3  LYS  42           HG3      LYS  42   6.544  11.402  -5.488
  426    HD2  LYS  42           HD2      LYS  42   3.504  11.214  -5.289
  427    HD3  LYS  42           HD3      LYS  42   4.498  12.608  -4.824
  428    HE2  LYS  42           HE2      LYS  42   5.298  12.700  -7.238
  429    HE3  LYS  42           HE3      LYS  42   4.093  11.453  -7.608
  430    HZ1  LYS  42           HZ1      LYS  42   3.488  14.151  -6.508
  431    HZ2  LYS  42           HZ2      LYS  42   2.365  13.008  -6.829
  432    HZ3  LYS  42           HZ3      LYS  42   3.221  13.682  -8.045
  433    H    LEU  43           H        LEU  43   4.757   6.980  -4.858
  434    HA   LEU  43           HA       LEU  43   5.029   7.592  -2.065
  435    HB2  LEU  43           HB2      LEU  43   2.970   6.833  -3.157
  436    HB3  LEU  43           HB3      LEU  43   3.650   5.240  -3.435
  437    HG   LEU  43           HG       LEU  43   3.491   6.363  -0.624
  438   HD11  LEU  43          HD11      LEU  43   1.286   5.425  -0.348
  439   HD12  LEU  43          HD12      LEU  43   1.290   4.796  -2.004
  440   HD13  LEU  43          HD13      LEU  43   1.223   6.548  -1.716
  441   HD21  LEU  43          HD21      LEU  43   4.707   4.222  -0.800
  442   HD22  LEU  43          HD22      LEU  43   3.386   3.522  -1.761
  443   HD23  LEU  43          HD23      LEU  43   3.144   3.936  -0.054
  444    H    LEU  44           H        LEU  44   6.228   4.813  -4.026
  445    HA   LEU  44           HA       LEU  44   7.503   3.415  -1.879
  446    HB2  LEU  44           HB2      LEU  44   8.231   3.547  -4.838
  447    HB3  LEU  44           HB3      LEU  44   8.767   2.307  -3.713
  448    HG   LEU  44           HG       LEU  44   5.834   2.756  -4.424
  449   HD11  LEU  44          HD11      LEU  44   7.125   2.078  -6.425
  450   HD12  LEU  44          HD12      LEU  44   6.042   0.795  -5.871
  451   HD13  LEU  44          HD13      LEU  44   7.786   0.699  -5.528
  452   HD21  LEU  44          HD21      LEU  44   6.282   1.583  -2.263
  453   HD22  LEU  44          HD22      LEU  44   7.202   0.369  -3.197
  454   HD23  LEU  44          HD23      LEU  44   5.462   0.585  -3.467
  455    H    LYS  45           H        LYS  45   8.729   5.930  -4.113
  456    HA   LYS  45           HA       LYS  45  11.362   5.967  -2.902
  457    HB2  LYS  45           HB2      LYS  45  10.014   7.742  -4.953
  458    HB3  LYS  45           HB3      LYS  45  11.690   7.956  -4.399
  459    HG2  LYS  45           HG2      LYS  45  12.219   5.622  -5.004
  460    HG3  LYS  45           HG3      LYS  45  10.579   5.339  -5.532
  461    HD2  LYS  45           HD2      LYS  45  12.019   5.665  -7.432
  462    HD3  LYS  45           HD3      LYS  45  10.821   6.972  -7.325
  463    HE2  LYS  45           HE2      LYS  45  12.935   7.835  -8.000
  464    HE3  LYS  45           HE3      LYS  45  12.534   8.448  -6.383
  465    HZ1  LYS  45           HZ1      LYS  45  14.057   6.712  -5.477
  466    HZ2  LYS  45           HZ2      LYS  45  14.861   7.722  -6.482
  467    HZ3  LYS  45           HZ3      LYS  45  14.434   6.229  -6.987
  468    H    SER  46           H        SER  46   8.458   7.672  -2.024
  469    HA   SER  46           HA       SER  46   9.719   9.657  -0.386
  470    HB2  SER  46           HB2      SER  46   7.660  10.001   0.636
  471    HB3  SER  46           HB3      SER  46   7.246   9.501  -1.006
  472    HG   SER  46           HG       SER  46   6.818   7.392  -0.163
  473    H    VAL  47           H        VAL  47   9.227   6.188   0.162
  474    HA   VAL  47           HA       VAL  47  10.632   6.398   2.780
  475    HB   VAL  47           HB       VAL  47  10.002   4.149   3.265
  476   HG11  VAL  47          HG11      VAL  47   7.566   5.700   2.328
  477   HG12  VAL  47          HG12      VAL  47   7.642   4.443   3.585
  478   HG13  VAL  47          HG13      VAL  47   8.453   5.998   3.839
  479   HG21  VAL  47          HG21      VAL  47   8.381   4.073   0.694
  480   HG22  VAL  47          HG22      VAL  47   9.933   3.240   0.917
  481   HG23  VAL  47          HG23      VAL  47   8.535   2.802   1.917
  482    H    GLY  48           H        GLY  48  11.758   6.576  -0.107
  483    HA2  GLY  48           HA2      GLY  48  13.966   6.493  -0.688
  484    HA3  GLY  48           HA3      GLY  48  14.320   5.537   0.747
  485    H    ALA  49           H        ALA  49  11.978   4.434  -1.779
  486    HA   ALA  49           HA       ALA  49  13.382   1.984  -2.153
  487    HB1  ALA  49           HB1      ALA  49  10.928   2.432  -2.401
  488    HB2  ALA  49           HB2      ALA  49  11.276   3.280  -3.929
  489    HB3  ALA  49           HB3      ALA  49  11.639   1.537  -3.720
  490    H    GLN  50           H        GLN  50  14.861   1.322  -3.692
  491    HA   GLN  50           HA       GLN  50  16.468   3.512  -4.806
  492    HB2  GLN  50           HB2      GLN  50  16.998   0.540  -4.455
  493    HB3  GLN  50           HB3      GLN  50  18.187   1.705  -5.035
  494    HG2  GLN  50           HG2      GLN  50  16.845   1.787  -2.291
  495    HG3  GLN  50           HG3      GLN  50  18.468   1.209  -2.629
  496   HE21  GLN  50          HE21      GLN  50  16.757   3.938  -1.587
  497   HE22  GLN  50          HE22      GLN  50  18.016   5.121  -1.938
  498    H    LYS  51           H        LYS  51  14.301   1.277  -6.236
  499    HA   LYS  51           HA       LYS  51  15.667   1.266  -8.876
  500    HB2  LYS  51           HB2      LYS  51  13.969  -0.604  -7.280
  501    HB3  LYS  51           HB3      LYS  51  13.636  -0.600  -8.988
  502    HG2  LYS  51           HG2      LYS  51  16.473  -0.854  -7.914
  503    HG3  LYS  51           HG3      LYS  51  15.405  -2.244  -8.052
  504    HD2  LYS  51           HD2      LYS  51  16.108  -0.426 -10.402
  505    HD3  LYS  51           HD3      LYS  51  16.983  -1.910 -10.018
  506    HE2  LYS  51           HE2      LYS  51  15.102  -3.304 -10.459
  507    HE3  LYS  51           HE3      LYS  51  13.976  -1.955 -10.399
  508    HZ1  LYS  51           HZ1      LYS  51  15.002  -1.067 -12.428
  509    HZ2  LYS  51           HZ2      LYS  51  14.294  -2.505 -12.647
  510    HZ3  LYS  51           HZ3      LYS  51  15.942  -2.418 -12.561
  511    H    ASP  52           H        ASP  52  14.319   1.082 -10.790
  512    HA   ASP  52           HA       ASP  52  12.094   3.017 -10.878
  513    HB2  ASP  52           HB2      ASP  52  12.376   2.789 -13.367
  514    HB3  ASP  52           HB3      ASP  52  13.662   3.569 -12.461
  515    H    THR  53           H        THR  53  12.504  -0.397 -10.905
  516    HA   THR  53           HA       THR  53   9.602  -0.857 -11.432
  517    HB   THR  53           HB       THR  53  10.377  -3.012 -12.629
  518    HG1  THR  53           HG1      THR  53  12.346  -2.661 -13.825
  519   HG21  THR  53          HG21      THR  53  10.477  -2.007 -14.816
  520   HG22  THR  53          HG22      THR  53  10.857  -0.420 -14.106
  521   HG23  THR  53          HG23      THR  53   9.270  -1.193 -13.815
  522    H    TYR  54           H        TYR  54   8.861  -2.815 -10.443
  523    HA   TYR  54           HA       TYR  54  10.560  -4.008  -8.317
  524    HB2  TYR  54           HB2      TYR  54   7.967  -2.473  -7.901
  525    HB3  TYR  54           HB3      TYR  54   8.759  -3.438  -6.669
  526    HD1  TYR  54           HD2      TYR  54  10.897  -2.740  -5.645
  527    HD2  TYR  54           HD1      TYR  54   8.842  -0.281  -8.537
  528    HE1  TYR  54           HE2      TYR  54  12.307  -0.784  -4.996
  529    HE2  TYR  54           HE1      TYR  54  10.304   1.641  -7.931
  530    HH   TYR  54           HH       TYR  54  12.217   2.248  -6.835
  531    H    THR  55           H        THR  55   9.547  -5.770  -7.139
  532    HA   THR  55           HA       THR  55   7.567  -7.318  -8.683
  533    HB   THR  55           HB       THR  55   7.999  -9.194  -7.498
  534    HG1  THR  55           HG1      THR  55   8.998  -9.182  -5.457
  535   HG21  THR  55          HG21      THR  55  10.350  -9.563  -7.321
  536   HG22  THR  55          HG22      THR  55  10.688  -7.831  -7.145
  537   HG23  THR  55          HG23      THR  55  10.093  -8.466  -8.690
  538    H    MET  56           H        MET  56   5.611  -8.309  -7.632
  539    HA   MET  56           HA       MET  56   3.923  -6.395  -6.374
  540    HB2  MET  56           HB2      MET  56   3.847  -9.427  -6.473
  541    HB3  MET  56           HB3      MET  56   2.657  -8.521  -5.545
  542    HG2  MET  56           HG2      MET  56   3.161  -8.091  -8.499
  543    HG3  MET  56           HG3      MET  56   1.874  -9.085  -7.828
  544    HE1  MET  56           HE1      MET  56   1.803  -6.416  -9.828
  545    HE2  MET  56           HE2      MET  56   0.386  -7.457  -9.546
  546    HE3  MET  56           HE3      MET  56   0.266  -5.696  -9.306
  547    H    LYS  57           H        LYS  57   6.006  -8.886  -4.871
  548    HA   LYS  57           HA       LYS  57   5.145  -8.336  -2.160
  549    HB2  LYS  57           HB2      LYS  57   5.937 -10.506  -2.946
  550    HB3  LYS  57           HB3      LYS  57   7.542  -9.849  -3.272
  551    HG2  LYS  57           HG2      LYS  57   8.061  -9.587  -0.994
  552    HG3  LYS  57           HG3      LYS  57   6.370  -9.626  -0.480
  553    HD2  LYS  57           HD2      LYS  57   7.709 -12.026  -1.774
  554    HD3  LYS  57           HD3      LYS  57   7.786 -11.716  -0.017
  555    HE2  LYS  57           HE2      LYS  57   5.488 -11.938   0.294
  556    HE3  LYS  57           HE3      LYS  57   5.102 -11.718  -1.414
  557    HZ1  LYS  57           HZ1      LYS  57   4.881 -14.015  -0.590
  558    HZ2  LYS  57           HZ2      LYS  57   6.499 -14.127  -0.381
  559    HZ3  LYS  57           HZ3      LYS  57   5.862 -13.915  -1.886
  560    H    GLU  58           H        GLU  58   7.835  -7.121  -4.153
  561    HA   GLU  58           HA       GLU  58   9.091  -5.570  -2.050
  562    HB2  GLU  58           HB2      GLU  58   9.042  -5.319  -5.067
  563    HB3  GLU  58           HB3      GLU  58   9.944  -4.210  -4.025
  564    HG2  GLU  58           HG2      GLU  58  11.288  -6.015  -3.123
  565    HG3  GLU  58           HG3      GLU  58  10.369  -7.223  -4.024
  566    H    VAL  59           H        VAL  59   6.570  -4.698  -4.486
  567    HA   VAL  59           HA       VAL  59   6.203  -2.001  -3.566
  568    HB   VAL  59           HB       VAL  59   4.237  -3.878  -4.939
  569   HG11  VAL  59          HG11      VAL  59   3.072  -1.965  -3.792
  570   HG12  VAL  59          HG12      VAL  59   4.085  -0.842  -4.703
  571   HG13  VAL  59          HG13      VAL  59   2.948  -1.921  -5.547
  572   HG21  VAL  59          HG21      VAL  59   6.261  -3.333  -6.305
  573   HG22  VAL  59          HG22      VAL  59   4.808  -2.591  -6.973
  574   HG23  VAL  59          HG23      VAL  59   5.970  -1.613  -6.048
  575    H    LEU  60           H        LEU  60   4.510  -5.058  -2.604
  576    HA   LEU  60           HA       LEU  60   2.860  -3.890  -0.593
  577    HB2  LEU  60           HB2      LEU  60   4.063  -6.656  -0.956
  578    HB3  LEU  60           HB3      LEU  60   3.084  -6.278   0.451
  579    HG   LEU  60           HG       LEU  60   2.041  -5.904  -2.385
  580   HD11  LEU  60          HD11      LEU  60   0.877  -8.048  -2.079
  581   HD12  LEU  60          HD12      LEU  60   1.666  -8.277  -0.504
  582   HD13  LEU  60          HD13      LEU  60   2.628  -8.282  -2.002
  583   HD21  LEU  60          HD21      LEU  60   0.653  -6.140   0.328
  584   HD22  LEU  60          HD22      LEU  60  -0.165  -6.024  -1.245
  585   HD23  LEU  60          HD23      LEU  60   0.788  -4.664  -0.648
  586    H    PHE  61           H        PHE  61   6.209  -5.251  -0.237
  587    HA   PHE  61           HA       PHE  61   6.476  -4.656   2.494
  588    HB2  PHE  61           HB2      PHE  61   8.096  -6.062   1.615
  589    HB3  PHE  61           HB3      PHE  61   8.483  -4.967   0.303
  590    HD1  PHE  61           HD1      PHE  61   8.949  -5.577   3.930
  591    HD2  PHE  61           HD2      PHE  61  10.063  -3.141   0.547
  592    HE1  PHE  61           HE1      PHE  61  10.806  -4.585   5.251
  593    HE2  PHE  61           HE2      PHE  61  11.905  -2.144   1.875
  594    HZ   PHE  61           HZ       PHE  61  12.278  -2.858   4.230
  595    H    TYR  62           H        TYR  62   7.531  -2.513  -0.148
  596    HA   TYR  62           HA       TYR  62   8.200  -0.366   1.596
  597    HB2  TYR  62           HB2      TYR  62   7.700  -0.547  -1.336
  598    HB3  TYR  62           HB3      TYR  62   8.009   1.010  -0.572
  599    HD1  TYR  62           HD1      TYR  62  10.167   0.964   1.105
  600    HD2  TYR  62           HD2      TYR  62   9.552  -1.537  -2.354
  601    HE1  TYR  62           HE1      TYR  62  12.633   0.740   0.825
  602    HE2  TYR  62           HE2      TYR  62  12.010  -1.794  -2.607
  603    HH   TYR  62           HH       TYR  62  14.080  -1.309  -1.731
  604    H    LEU  63           H        LEU  63   5.079  -0.995  -0.018
  605    HA   LEU  63           HA       LEU  63   3.834   1.433   0.823
  606    HB2  LEU  63           HB2      LEU  63   2.977   0.097  -0.994
  607    HB3  LEU  63           HB3      LEU  63   2.791  -1.312   0.053
  608    HG   LEU  63           HG       LEU  63   0.989  -0.252   1.290
  609   HD11  LEU  63          HD11      LEU  63   0.033   1.864   0.635
  610   HD12  LEU  63          HD12      LEU  63   1.293   2.108  -0.605
  611   HD13  LEU  63          HD13      LEU  63   1.700   2.131   1.126
  612   HD21  LEU  63          HD21      LEU  63  -0.680  -0.141  -0.514
  613   HD22  LEU  63          HD22      LEU  63   0.447  -1.473  -0.801
  614   HD23  LEU  63          HD23      LEU  63   0.606   0.034  -1.723
  615    H    GLY  64           H        GLY  64   4.061  -1.801   2.409
  616    HA2  GLY  64           HA2      GLY  64   2.502  -1.171   4.724
  617    HA3  GLY  64           HA3      GLY  64   3.782  -2.386   4.622
  618    H    GLN  65           H        GLN  65   6.040  -0.806   4.110
  619    HA   GLN  65           HA       GLN  65   6.697   0.413   6.621
  620    HB2  GLN  65           HB2      GLN  65   7.965   0.657   3.867
  621    HB3  GLN  65           HB3      GLN  65   8.664   1.349   5.322
  622    HG2  GLN  65           HG2      GLN  65   8.097  -1.624   4.938
  623    HG3  GLN  65           HG3      GLN  65   9.650  -0.860   4.652
  624   HE21  GLN  65          HE21      GLN  65   9.216  -3.014   6.501
  625   HE22  GLN  65          HE22      GLN  65   9.586  -2.376   8.098
  626    H    TYR  66           H        TYR  66   5.415   1.866   3.599
  627    HA   TYR  66           HA       TYR  66   5.612   4.576   4.513
  628    HB2  TYR  66           HB2      TYR  66   5.487   4.167   2.187
  629    HB3  TYR  66           HB3      TYR  66   3.989   3.283   2.344
  630    HD1  TYR  66           HD1      TYR  66   1.807   4.465   2.790
  631    HD2  TYR  66           HD2      TYR  66   5.502   6.577   2.096
  632    HE1  TYR  66           HE1      TYR  66   0.535   6.544   2.267
  633    HE2  TYR  66           HE2      TYR  66   4.229   8.625   1.516
  634    HH   TYR  66           HH       TYR  66   0.650   8.755   1.638
  635    H    ILE  67           H        ILE  67   2.861   2.315   4.565
  636    HA   ILE  67           HA       ILE  67   1.041   4.039   5.917
  637    HB   ILE  67           HB       ILE  67   1.246   1.011   5.824
  638   HG12  ILE  67          HG12      ILE  67  -0.731   2.776   4.329
  639   HG13  ILE  67          HG13      ILE  67   0.859   2.417   3.655
  640   HG21  ILE  67          HG21      ILE  67  -1.245   1.121   6.446
  641   HG22  ILE  67          HG22      ILE  67  -0.116   1.496   7.743
  642   HG23  ILE  67          HG23      ILE  67  -0.970   2.803   6.902
  643   HD11  ILE  67          HD11      ILE  67  -1.220   0.313   4.361
  644   HD12  ILE  67          HD12      ILE  67  -0.778   0.876   2.745
  645   HD13  ILE  67          HD13      ILE  67   0.411   0.001   3.724
  646    H    MET  68           H        MET  68   3.502   1.791   7.268
  647    HA   MET  68           HA       MET  68   2.854   2.271  10.017
  648    HB2  MET  68           HB2      MET  68   5.377   1.321   8.648
  649    HB3  MET  68           HB3      MET  68   5.294   1.598  10.394
  650    HG2  MET  68           HG2      MET  68   3.263   0.115  10.486
  651    HG3  MET  68           HG3      MET  68   3.577  -0.330   8.811
  652    HE1  MET  68           HE1      MET  68   6.851  -0.586   8.772
  653    HE2  MET  68           HE2      MET  68   6.876  -2.352   9.002
  654    HE3  MET  68           HE3      MET  68   5.627  -1.604   7.980
  655    H    THR  69           H        THR  69   5.401   3.891   8.002
  656    HA   THR  69           HA       THR  69   6.069   5.649  10.168
  657    HB   THR  69           HB       THR  69   7.572   4.982   8.268
  658    HG1  THR  69           HG1      THR  69   8.299   6.454   9.682
  659   HG21  THR  69          HG21      THR  69   6.130   5.693   6.376
  660   HG22  THR  69          HG22      THR  69   7.721   6.461   6.353
  661   HG23  THR  69          HG23      THR  69   6.302   7.390   6.887
  662    H    LYS  70           H        LYS  70   3.790   6.068   7.528
  663    HA   LYS  70           HA       LYS  70   3.019   8.797   8.239
  664    HB2  LYS  70           HB2      LYS  70   1.757   6.642   6.512
  665    HB3  LYS  70           HB3      LYS  70   1.149   8.284   6.619
  666    HG2  LYS  70           HG2      LYS  70   4.041   7.832   5.811
  667    HG3  LYS  70           HG3      LYS  70   2.763   7.493   4.666
  668    HD2  LYS  70           HD2      LYS  70   3.163  10.198   6.012
  669    HD3  LYS  70           HD3      LYS  70   3.739   9.734   4.400
  670    HE2  LYS  70           HE2      LYS  70   1.260   9.065   3.937
  671    HE3  LYS  70           HE3      LYS  70   0.866  10.047   5.349
  672    HZ1  LYS  70           HZ1      LYS  70   2.320  11.008   2.945
  673    HZ2  LYS  70           HZ2      LYS  70   1.864  11.954   4.216
  674    HZ3  LYS  70           HZ3      LYS  70   0.742  11.251   3.228
  675    H    ARG  71           H        ARG  71   2.114   5.680   9.448
  676    HA   ARG  71           HA       ARG  71   0.604   4.886  10.917
  677    HB2  ARG  71           HB2      ARG  71   0.672   7.711  12.032
  678    HB3  ARG  71           HB3      ARG  71  -0.002   6.295  12.854
  679    HG2  ARG  71           HG2      ARG  71   2.184   5.184  12.851
  680    HG3  ARG  71           HG3      ARG  71   2.903   6.547  11.974
  681    HD2  ARG  71           HD2      ARG  71   2.379   8.066  13.852
  682    HD3  ARG  71           HD3      ARG  71   1.609   6.735  14.717
  683    HE   ARG  71           HE       ARG  71   3.665   5.928  15.361
  684   HH11  ARG  71          HH11      ARG  71   4.324   8.152  12.719
  685   HH12  ARG  71          HH12      ARG  71   6.034   8.138  13.028
  686   HH21  ARG  71          HH21      ARG  71   5.854   5.954  15.674
  687   HH22  ARG  71          HH22      ARG  71   6.873   6.920  14.647
  688    H    LEU  72           H        LEU  72  -0.507   5.177   8.564
  689    HA   LEU  72           HA       LEU  72  -2.962   6.760   8.627
  690    HB2  LEU  72           HB2      LEU  72  -2.116   4.632   6.634
  691    HB3  LEU  72           HB3      LEU  72  -3.415   5.794   6.422
  692    HG   LEU  72           HG       LEU  72  -0.460   6.456   6.649
  693   HD11  LEU  72          HD11      LEU  72  -1.029   5.360   4.535
  694   HD12  LEU  72          HD12      LEU  72  -0.657   7.071   4.274
  695   HD13  LEU  72          HD13      LEU  72  -2.345   6.527   4.265
  696   HD21  LEU  72          HD21      LEU  72  -2.873   8.241   6.129
  697   HD22  LEU  72          HD22      LEU  72  -1.182   8.740   5.905
  698   HD23  LEU  72          HD23      LEU  72  -1.764   8.316   7.520
  699    H    TYR  73           H        TYR  73  -2.302   3.692   9.944
  700    HA   TYR  73           HA       TYR  73  -4.951   2.575   9.621
  701    HB2  TYR  73           HB2      TYR  73  -4.265   1.022  11.472
  702    HB3  TYR  73           HB3      TYR  73  -3.362   0.966   9.972
  703    HD1  TYR  73           HD2      TYR  73  -3.264   2.315  13.456
  704    HD2  TYR  73           HD1      TYR  73  -0.994   1.316   9.925
  705    HE1  TYR  73           HE2      TYR  73  -1.152   2.771  14.689
  706    HE2  TYR  73           HE1      TYR  73   1.116   1.763  11.169
  707    HH   TYR  73           HH       TYR  73   1.131   2.882  14.571
  708    H    ASP  74           H        ASP  74  -6.637   2.230  11.181
  709    HA   ASP  74           HA       ASP  74  -7.079   4.490  12.971
  710    HB2  ASP  74           HB2      ASP  74  -9.029   3.625  12.128
  711    HB3  ASP  74           HB3      ASP  74  -8.591   1.963  12.489
  712    H    GLU  75           H        GLU  75  -6.518   4.736  15.119
  713    HA   GLU  75           HA       GLU  75  -4.534   3.061  16.304
  714    HB2  GLU  75           HB2      GLU  75  -5.015   4.295  18.375
  715    HB3  GLU  75           HB3      GLU  75  -4.698   5.332  16.995
  716    HG2  GLU  75           HG2      GLU  75  -6.835   6.174  16.868
  717    HG3  GLU  75           HG3      GLU  75  -7.581   4.743  17.557
  718    H    LYS  76           H        LYS  76  -8.047   2.844  16.434
  719    HA   LYS  76           HA       LYS  76  -7.957   0.668  18.467
  720    HB2  LYS  76           HB2      LYS  76 -10.414   1.623  16.962
  721    HB3  LYS  76           HB3      LYS  76 -10.331   0.687  18.445
  722    HG2  LYS  76           HG2      LYS  76  -9.732   3.633  18.043
  723    HG3  LYS  76           HG3      LYS  76 -11.013   2.895  18.998
  724    HD2  LYS  76           HD2      LYS  76  -9.233   1.981  20.563
  725    HD3  LYS  76           HD3      LYS  76  -8.032   2.906  19.635
  726    HE2  LYS  76           HE2      LYS  76  -9.551   4.961  20.054
  727    HE3  LYS  76           HE3      LYS  76 -10.374   3.965  21.261
  728    HZ1  LYS  76           HZ1      LYS  76  -8.629   5.239  22.308
  729    HZ2  LYS  76           HZ2      LYS  76  -7.506   4.748  21.233
  730    HZ3  LYS  76           HZ3      LYS  76  -8.133   3.680  22.324
  731    H    GLN  77           H        GLN  77  -9.370   0.904  15.154
  732    HA   GLN  77           HA       GLN  77  -9.028  -2.006  14.767
  733    HB2  GLN  77           HB2      GLN  77 -10.213   0.116  12.950
  734    HB3  GLN  77           HB3      GLN  77 -10.234  -1.618  12.658
  735    HG2  GLN  77           HG2      GLN  77 -11.788  -2.065  14.323
  736    HG3  GLN  77           HG3      GLN  77 -11.443  -0.592  15.228
  737   HE21  GLN  77          HE21      GLN  77 -11.848   1.534  13.791
  738   HE22  GLN  77          HE22      GLN  77 -13.427   1.514  12.985
  739    H    GLN  78           H        GLN  78  -6.634  -1.853  14.930
  740    HA   GLN  78           HA       GLN  78  -5.134  -0.306  13.037
  741    HB2  GLN  78           HB2      GLN  78  -4.357  -2.625  14.822
  742    HB3  GLN  78           HB3      GLN  78  -3.197  -1.692  13.854
  743    HG2  GLN  78           HG2      GLN  78  -3.784   0.373  15.019
  744    HG3  GLN  78           HG3      GLN  78  -5.076  -0.438  15.902
  745   HE21  GLN  78          HE21      GLN  78  -4.128   0.299  17.894
  746   HE22  GLN  78          HE22      GLN  78  -2.691  -0.516  18.523
  747    H    HIS  79           H        HIS  79  -6.797  -3.240  12.597
  748    HA   HIS  79           HA       HIS  79  -5.331  -4.077  10.207
  749    HB2  HIS  79           HB2      HIS  79  -6.879  -5.861  10.100
  750    HB3  HIS  79           HB3      HIS  79  -6.437  -5.641  11.792
  751    HD1  HIS  79           HD1      HIS  79  -8.423  -4.892  13.473
  752    HD2  HIS  79           HD2      HIS  79  -9.447  -5.465   9.431
  753    HE1  HIS  79           HE1      HIS  79 -10.966  -4.922  13.380
  754    H    ILE  80           H        ILE  80  -7.250  -1.388  10.676
  755    HA   ILE  80           HA       ILE  80  -8.145  -1.406   7.826
  756    HB   ILE  80           HB       ILE  80  -9.509   0.036  10.116
  757   HG12  ILE  80          HG12      ILE  80 -10.346  -2.548   8.722
  758   HG13  ILE  80          HG13      ILE  80  -9.828  -2.384  10.400
  759   HG21  ILE  80          HG21      ILE  80 -11.257   0.543   8.485
  760   HG22  ILE  80          HG22      ILE  80  -9.727   1.091   7.833
  761   HG23  ILE  80          HG23      ILE  80 -10.440  -0.426   7.246
  762   HD11  ILE  80          HD11      ILE  80 -12.397  -1.329   9.197
  763   HD12  ILE  80          HD12      ILE  80 -12.180  -2.549  10.461
  764   HD13  ILE  80          HD13      ILE  80 -11.790  -0.850  10.802
  765    H    VAL  81           H        VAL  81  -7.447   0.183   6.585
  766    HA   VAL  81           HA       VAL  81  -5.698   2.315   7.731
  767    HB   VAL  81           HB       VAL  81  -5.814   1.162   4.937
  768   HG11  VAL  81          HG11      VAL  81  -3.952   3.254   6.136
  769   HG12  VAL  81          HG12      VAL  81  -3.713   2.466   4.563
  770   HG13  VAL  81          HG13      VAL  81  -5.113   3.508   4.809
  771   HG21  VAL  81          HG21      VAL  81  -3.565   0.277   5.464
  772   HG22  VAL  81          HG22      VAL  81  -3.706   0.898   7.126
  773   HG23  VAL  81          HG23      VAL  81  -4.783  -0.389   6.551
  774    H    TYR  82           H        TYR  82  -6.142   4.394   7.460
  775    HA   TYR  82           HA       TYR  82  -8.596   5.190   6.013
  776    HB2  TYR  82           HB2      TYR  82  -7.509   6.160   8.630
  777    HB3  TYR  82           HB3      TYR  82  -8.679   7.073   7.687
  778    HD1  TYR  82           HD2      TYR  82  -8.135   3.863   9.471
  779    HD2  TYR  82           HD1      TYR  82 -10.990   6.428   7.505
  780    HE1  TYR  82           HE2      TYR  82  -9.986   2.479  10.372
  781    HE2  TYR  82           HE1      TYR  82 -12.857   5.035   8.413
  782    HH   TYR  82           HH       TYR  82 -12.263   2.190  10.508
  783    H    CYS  83           H        CYS  83  -7.159   5.163   4.168
  784    HA   CYS  83           HA       CYS  83  -5.066   7.086   3.882
  785    HB2  CYS  83           HB2      CYS  83  -5.099   6.232   1.491
  786    HB3  CYS  83           HB3      CYS  83  -4.871   5.035   2.765
  787    HG   CYS  83           HG       CYS  83  -7.632   5.747   1.034
  788    H    SER  84           H        SER  84  -8.230   7.940   3.942
  789    HA   SER  84           HA       SER  84  -8.864   9.429   1.751
  790    HB2  SER  84           HB2      SER  84 -10.283   9.117   3.772
  791    HB3  SER  84           HB3      SER  84  -9.303  10.325   4.623
  792    HG   SER  84           HG       SER  84 -11.191  11.238   3.678
  793    H    ASN  85           H        ASN  85  -8.380  11.237   0.768
  794    HA   ASN  85           HA       ASN  85  -7.258  12.980  -0.033
  795    HB2  ASN  85           HB2      ASN  85  -7.237  13.867   2.867
  796    HB3  ASN  85           HB3      ASN  85  -6.895  14.910   1.495
  797   HD21  ASN  85          HD21      ASN  85  -9.135  14.914   3.550
  798   HD22  ASN  85          HD22      ASN  85 -10.572  15.016   2.541
  799    H    ASP  86           H        ASP  86  -5.420  10.744   1.511
  800    HA   ASP  86           HA       ASP  86  -2.844  12.181   1.333
  801    HB2  ASP  86           HB2      ASP  86  -3.318  10.487   3.117
  802    HB3  ASP  86           HB3      ASP  86  -3.471   9.247   1.863
  803    H    LEU  87           H        LEU  87  -1.045  11.137   0.051
  804    HA   LEU  87           HA       LEU  87  -1.517  10.743  -2.733
  805    HB2  LEU  87           HB2      LEU  87   0.635  11.384  -1.852
  806    HB3  LEU  87           HB3      LEU  87   0.731   9.929  -0.863
  807    HG   LEU  87           HG       LEU  87   0.982   8.517  -2.852
  808   HD11  LEU  87          HD11      LEU  87  -0.303   9.775  -4.516
  809   HD12  LEU  87          HD12      LEU  87   1.353   9.534  -5.067
  810   HD13  LEU  87          HD13      LEU  87   0.856  11.122  -4.428
  811   HD21  LEU  87          HD21      LEU  87   2.834  10.934  -2.882
  812   HD22  LEU  87          HD22      LEU  87   3.187   9.349  -3.599
  813   HD23  LEU  87          HD23      LEU  87   2.999   9.501  -1.838
  814    H    LEU  88           H        LEU  88  -1.423   8.387  -0.010
  815    HA   LEU  88           HA       LEU  88  -1.743   6.080  -1.677
  816    HB2  LEU  88           HB2      LEU  88  -0.836   6.044   0.603
  817    HB3  LEU  88           HB3      LEU  88  -2.407   6.524   1.256
  818    HG   LEU  88           HG       LEU  88  -3.407   4.418   0.434
  819   HD11  LEU  88          HD11      LEU  88  -2.076   3.910  -1.533
  820   HD12  LEU  88          HD12      LEU  88  -1.795   2.620  -0.385
  821   HD13  LEU  88          HD13      LEU  88  -0.578   3.886  -0.576
  822   HD21  LEU  88          HD21      LEU  88  -2.454   4.517   2.674
  823   HD22  LEU  88          HD22      LEU  88  -0.871   4.002   2.045
  824   HD23  LEU  88          HD23      LEU  88  -2.270   2.900   1.977
  825    H    GLY  89           H        GLY  89  -4.143   8.248  -0.177
  826    HA2  GLY  89           HA2      GLY  89  -6.506   6.738  -0.750
  827    HA3  GLY  89           HA3      GLY  89  -6.401   8.498  -0.580
  828    H    ASP  90           H        ASP  90  -4.602   9.016  -2.741
  829    HA   ASP  90           HA       ASP  90  -6.359   8.855  -5.042
  830    HB2  ASP  90           HB2      ASP  90  -3.545   9.890  -4.682
  831    HB3  ASP  90           HB3      ASP  90  -4.339   9.821  -6.251
  832    H    LEU  91           H        LEU  91  -3.780   6.805  -3.949
  833    HA   LEU  91           HA       LEU  91  -3.547   5.295  -6.455
  834    HB2  LEU  91           HB2      LEU  91  -2.498   5.004  -3.630
  835    HB3  LEU  91           HB3      LEU  91  -2.290   3.718  -4.805
  836    HG   LEU  91           HG       LEU  91  -1.277   6.547  -5.279
  837   HD11  LEU  91          HD11      LEU  91   0.124   4.180  -4.089
  838   HD12  LEU  91          HD12      LEU  91  -0.246   5.749  -3.353
  839   HD13  LEU  91          HD13      LEU  91   0.912   5.678  -4.680
  840   HD21  LEU  91          HD21      LEU  91   0.103   5.451  -6.987
  841   HD22  LEU  91          HD22      LEU  91  -1.592   5.143  -7.338
  842   HD23  LEU  91          HD23      LEU  91  -0.611   3.872  -6.585
  843    H    PHE  92           H        PHE  92  -4.940   4.522  -3.202
  844    HA   PHE  92           HA       PHE  92  -6.216   2.161  -4.270
  845    HB2  PHE  92           HB2      PHE  92  -6.312   3.445  -1.566
  846    HB3  PHE  92           HB3      PHE  92  -7.415   2.156  -2.005
  847    HD1  PHE  92           HD1      PHE  92  -6.227   0.075  -3.259
  848    HD2  PHE  92           HD2      PHE  92  -4.473   2.648  -0.319
  849    HE1  PHE  92           HE1      PHE  92  -4.613  -1.731  -2.664
  850    HE2  PHE  92           HE2      PHE  92  -2.894   0.832   0.327
  851    HZ   PHE  92           HZ       PHE  92  -2.923  -1.326  -0.870
  852    H    GLY  93           H        GLY  93  -7.336   5.423  -4.167
  853    HA2  GLY  93           HA2      GLY  93  -9.158   6.331  -5.231
  854    HA3  GLY  93           HA3      GLY  93  -9.652   4.726  -5.779
  855    H    VAL  94           H        VAL  94  -9.174   5.237  -2.347
  856    HA   VAL  94           HA       VAL  94 -12.071   5.562  -1.782
  857    HB   VAL  94           HB       VAL  94 -11.885   3.679  -0.085
  858   HG11  VAL  94          HG11      VAL  94 -13.165   3.448  -2.163
  859   HG12  VAL  94          HG12      VAL  94 -11.717   2.820  -2.989
  860   HG13  VAL  94          HG13      VAL  94 -12.440   1.916  -1.643
  861   HG21  VAL  94          HG21      VAL  94  -9.544   2.736  -1.766
  862   HG22  VAL  94          HG22      VAL  94  -9.402   3.374  -0.109
  863   HG23  VAL  94          HG23      VAL  94 -10.304   1.884  -0.418
  864    HA   PRO  95           HA       PRO  95 -10.410   7.849   1.689
  865    HB2  PRO  95           HB2      PRO  95 -12.478   7.779   3.478
  866    HB3  PRO  95           HB3      PRO  95 -12.558   8.696   1.942
  867    HG2  PRO  95           HG2      PRO  95 -13.618   5.895   2.484
  868    HG3  PRO  95           HG3      PRO  95 -14.488   7.281   1.749
  869    HD2  PRO  95           HD2      PRO  95 -13.327   5.374   0.229
  870    HD3  PRO  95           HD3      PRO  95 -13.272   7.088  -0.267
  871    H    SER  96           H        SER  96 -11.517   4.526   2.122
  872    HA   SER  96           HA       SER  96  -9.349   3.929   3.939
  873    HB2  SER  96           HB2      SER  96 -10.760   3.089   5.784
  874    HB3  SER  96           HB3      SER  96 -10.977   4.827   5.542
  875    HG   SER  96           HG       SER  96 -12.978   3.730   5.813
  876    H    PHE  97           H        PHE  97  -9.172   1.619   4.428
  877    HA   PHE  97           HA       PHE  97 -10.975  -0.267   3.081
  878    HB2  PHE  97           HB2      PHE  97  -9.334  -1.274   1.652
  879    HB3  PHE  97           HB3      PHE  97  -9.372   0.429   1.259
  880    HD1  PHE  97           HD1      PHE  97  -7.441  -2.281   2.820
  881    HD2  PHE  97           HD2      PHE  97  -7.394   1.872   1.707
  882    HE1  PHE  97           HE1      PHE  97  -4.984  -2.214   3.191
  883    HE2  PHE  97           HE2      PHE  97  -4.933   1.936   2.060
  884    HZ   PHE  97           HZ       PHE  97  -3.724  -0.143   2.768
  885    H    SER  98           H        SER  98 -10.619  -2.437   3.808
  886    HA   SER  98           HA       SER  98  -9.189  -2.684   6.397
  887    HB2  SER  98           HB2      SER  98 -11.465  -3.445   6.370
  888    HB3  SER  98           HB3      SER  98 -11.142  -4.507   4.982
  889    HG   SER  98           HG       SER  98 -11.072  -5.503   7.131
  890    H    VAL  99           H        VAL  99  -7.316  -3.686   6.634
  891    HA   VAL  99           HA       VAL  99  -5.818  -4.888   4.463
  892    HB   VAL  99           HB       VAL  99  -5.156  -5.065   7.376
  893   HG11  VAL  99          HG11      VAL  99  -2.829  -5.109   6.545
  894   HG12  VAL  99          HG12      VAL  99  -3.757  -6.456   5.885
  895   HG13  VAL  99          HG13      VAL  99  -3.425  -5.034   4.873
  896   HG21  VAL  99          HG21      VAL  99  -5.501  -2.663   6.871
  897   HG22  VAL  99          HG22      VAL  99  -3.800  -3.034   7.118
  898   HG23  VAL  99          HG23      VAL  99  -4.419  -2.807   5.469
  899    H    LYS 100           H        LYS 100  -7.942  -6.103   6.918
  900    HA   LYS 100           HA       LYS 100  -7.281  -8.924   6.752
  901    HB2  LYS 100           HB2      LYS 100  -8.384  -7.802   8.648
  902    HB3  LYS 100           HB3      LYS 100  -9.775  -7.423   7.635
  903    HG2  LYS 100           HG2      LYS 100 -10.262  -9.842   7.375
  904    HG3  LYS 100           HG3      LYS 100  -8.911 -10.222   8.455
  905    HD2  LYS 100           HD2      LYS 100 -11.317  -8.478   9.171
  906    HD3  LYS 100           HD3      LYS 100 -11.175 -10.193   9.571
  907    HE2  LYS 100           HE2      LYS 100  -9.315  -9.809  11.047
  908    HE3  LYS 100           HE3      LYS 100  -9.127  -8.139  10.508
  909    HZ1  LYS 100           HZ1      LYS 100 -10.289  -8.315  12.640
  910    HZ2  LYS 100           HZ2      LYS 100 -11.522  -9.130  11.945
  911    HZ3  LYS 100           HZ3      LYS 100 -11.214  -7.573  11.518
  912    H    GLU 101           H        GLU 101  -9.308  -6.801   4.825
  913    HA   GLU 101           HA       GLU 101 -10.527  -8.984   3.266
  914    HB2  GLU 101           HB2      GLU 101 -10.660  -5.963   2.983
  915    HB3  GLU 101           HB3      GLU 101 -11.502  -7.123   1.938
  916    HG2  GLU 101           HG2      GLU 101 -12.674  -8.064   3.904
  917    HG3  GLU 101           HG3      GLU 101 -11.899  -6.870   4.947
  918    H    HIS 102           H        HIS 102  -8.118  -9.708   3.008
  919    HA   HIS 102           HA       HIS 102  -6.229  -8.389   1.526
  920    HB2  HIS 102           HB2      HIS 102  -6.685 -11.370   1.227
  921    HB3  HIS 102           HB3      HIS 102  -5.173 -10.494   1.131
  922    HD1  HIS 102           HD1      HIS 102  -5.360  -9.009   4.061
  923    HD2  HIS 102           HD2      HIS 102  -5.913 -13.044   3.010
  924    HE1  HIS 102           HE1      HIS 102  -4.524 -10.386   6.028
  925    H    ARG 103           H        ARG 103  -8.805 -10.433   0.104
  926    HA   ARG 103           HA       ARG 103  -7.826 -10.483  -2.564
  927    HB2  ARG 103           HB2      ARG 103  -9.519 -12.016  -1.592
  928    HB3  ARG 103           HB3      ARG 103 -10.706 -10.705  -1.601
  929    HG2  ARG 103           HG2      ARG 103 -10.575 -10.580  -4.072
  930    HG3  ARG 103           HG3      ARG 103  -9.297 -11.815  -4.072
  931    HD2  ARG 103           HD2      ARG 103 -10.894 -13.428  -3.033
  932    HD3  ARG 103           HD3      ARG 103 -12.152 -12.180  -3.087
  933    HE   ARG 103           HE       ARG 103 -10.814 -12.924  -5.636
  934   HH11  ARG 103          HH11      ARG 103 -13.723 -13.283  -3.704
  935   HH12  ARG 103          HH12      ARG 103 -14.656 -13.855  -5.061
  936   HH21  ARG 103          HH21      ARG 103 -12.051 -13.709  -7.296
  937   HH22  ARG 103          HH22      ARG 103 -13.730 -14.079  -7.038
  938    H    LYS 104           H        LYS 104  -9.897  -8.088  -1.000
  939    HA   LYS 104           HA       LYS 104 -10.477  -6.534  -3.383
  940    HB2  LYS 104           HB2      LYS 104 -11.761  -6.448  -1.204
  941    HB3  LYS 104           HB3      LYS 104 -10.385  -5.602  -0.480
  942    HG2  LYS 104           HG2      LYS 104 -10.642  -3.812  -2.252
  943    HG3  LYS 104           HG3      LYS 104 -12.074  -4.664  -2.842
  944    HD2  LYS 104           HD2      LYS 104 -13.188  -4.327  -0.656
  945    HD3  LYS 104           HD3      LYS 104 -11.716  -3.604  -0.001
  946    HE2  LYS 104           HE2      LYS 104 -13.241  -1.826  -0.529
  947    HE3  LYS 104           HE3      LYS 104 -11.870  -1.747  -1.639
  948    HZ1  LYS 104           HZ1      LYS 104 -14.526  -2.918  -2.299
  949    HZ2  LYS 104           HZ2      LYS 104 -13.269  -2.796  -3.340
  950    HZ3  LYS 104           HZ3      LYS 104 -14.005  -1.452  -2.784
  951    H    ILE 105           H        ILE 105  -7.896  -6.362  -0.900
  952    HA   ILE 105           HA       ILE 105  -6.564  -4.085  -2.041
  953    HB   ILE 105           HB       ILE 105  -5.541  -6.304  -0.246
  954   HG12  ILE 105          HG12      ILE 105  -6.111  -3.344   0.271
  955   HG13  ILE 105          HG13      ILE 105  -7.273  -4.632   0.589
  956   HG21  ILE 105          HG21      ILE 105  -3.529  -4.876   0.131
  957   HG22  ILE 105          HG22      ILE 105  -3.601  -5.453  -1.519
  958   HG23  ILE 105          HG23      ILE 105  -4.077  -3.778  -1.146
  959   HD11  ILE 105          HD11      ILE 105  -5.689  -5.693   2.178
  960   HD12  ILE 105          HD12      ILE 105  -4.587  -4.294   1.977
  961   HD13  ILE 105          HD13      ILE 105  -6.201  -4.072   2.629
  962    H    TYR 106           H        TYR 106  -5.963  -7.630  -2.622
  963    HA   TYR 106           HA       TYR 106  -3.810  -7.254  -4.368
  964    HB2  TYR 106           HB2      TYR 106  -5.967  -9.363  -4.646
  965    HB3  TYR 106           HB3      TYR 106  -4.348  -9.435  -5.335
  966    HD1  TYR 106           HD1      TYR 106  -2.705  -8.525  -2.906
  967    HD2  TYR 106           HD2      TYR 106  -5.975 -11.310  -3.358
  968    HE1  TYR 106           HE1      TYR 106  -1.929  -9.768  -0.906
  969    HE2  TYR 106           HE2      TYR 106  -5.227 -12.509  -1.308
  970    HH   TYR 106           HH       TYR 106  -2.193 -11.713   0.323
  971    H    THR 107           H        THR 107  -7.281  -7.209  -5.309
  972    HA   THR 107           HA       THR 107  -6.634  -6.716  -8.076
  973    HB   THR 107           HB       THR 107  -8.745  -7.801  -7.171
  974    HG1  THR 107           HG1      THR 107  -9.787  -7.132  -9.065
  975   HG21  THR 107          HG21      THR 107 -10.718  -6.367  -7.074
  976   HG22  THR 107          HG22      THR 107  -9.723  -4.908  -7.270
  977   HG23  THR 107          HG23      THR 107  -9.585  -5.903  -5.803
  978    H    MET 108           H        MET 108  -7.308  -4.455  -5.425
  979    HA   MET 108           HA       MET 108  -7.223  -2.110  -7.144
  980    HB2  MET 108           HB2      MET 108  -6.708  -2.382  -4.160
  981    HB3  MET 108           HB3      MET 108  -6.843  -0.866  -5.076
  982    HG2  MET 108           HG2      MET 108  -9.139  -1.492  -5.765
  983    HG3  MET 108           HG3      MET 108  -9.061  -2.905  -4.729
  984    HE1  MET 108           HE1      MET 108  -8.922  -1.195  -1.115
  985    HE2  MET 108           HE2      MET 108  -8.771  -2.727  -2.005
  986    HE3  MET 108           HE3      MET 108  -7.464  -1.535  -2.064
  987    H    MET 109           H        MET 109  -4.715  -3.970  -5.409
  988    HA   MET 109           HA       MET 109  -2.514  -2.197  -5.985
  989    HB2  MET 109           HB2      MET 109  -2.647  -5.170  -5.359
  990    HB3  MET 109           HB3      MET 109  -1.136  -4.290  -5.561
  991    HG2  MET 109           HG2      MET 109  -3.263  -3.516  -3.533
  992    HG3  MET 109           HG3      MET 109  -1.925  -4.595  -3.174
  993    HE1  MET 109           HE1      MET 109   1.138  -2.388  -2.964
  994    HE2  MET 109           HE2      MET 109   0.437  -4.015  -2.940
  995    HE3  MET 109           HE3      MET 109   0.715  -3.194  -4.493
  996    H    ALA 110           H        ALA 110  -3.859  -5.037  -7.760
  997    HA   ALA 110           HA       ALA 110  -2.042  -4.952  -9.948
  998    HB1  ALA 110           HB1      ALA 110  -3.597  -6.805  -9.457
  999    HB2  ALA 110           HB2      ALA 110  -4.980  -5.766  -9.855
 1000    HB3  ALA 110           HB3      ALA 110  -3.812  -6.210 -11.117
 1001    H    SER 111           H        SER 111  -4.945  -2.968  -9.301
 1002    HA   SER 111           HA       SER 111  -4.923  -1.585 -11.851
 1003    HB2  SER 111           HB2      SER 111  -6.155  -0.774  -9.191
 1004    HB3  SER 111           HB3      SER 111  -6.414   0.032 -10.740
 1005    HG   SER 111           HG       SER 111  -7.080  -2.661 -10.077
 1006    H    MET 112           H        MET 112  -2.828  -1.270  -9.095
 1007    HA   MET 112           HA       MET 112  -1.927   1.425  -9.855
 1008    HB2  MET 112           HB2      MET 112  -0.592  -0.495  -7.935
 1009    HB3  MET 112           HB3      MET 112  -0.267   1.225  -8.167
 1010    HG2  MET 112           HG2      MET 112  -2.563   1.765  -7.386
 1011    HG3  MET 112           HG3      MET 112  -2.834   0.044  -7.089
 1012    HE1  MET 112           HE1      MET 112  -2.666   1.105  -3.439
 1013    HE2  MET 112           HE2      MET 112  -3.563   1.748  -4.834
 1014    HE3  MET 112           HE3      MET 112  -3.391  -0.007  -4.622
 1015    H    THR 113           H        THR 113  -1.390  -1.727 -10.987
 1016    HA   THR 113           HA       THR 113   1.106  -0.954 -12.363
 1017    HB   THR 113           HB       THR 113   2.204  -2.879 -11.940
 1018    HG1  THR 113           HG1      THR 113   0.688  -4.371 -12.469
 1019   HG21  THR 113          HG21      THR 113   2.089  -1.681  -9.805
 1020   HG22  THR 113          HG22      THR 113   2.079  -3.429  -9.539
 1021   HG23  THR 113          HG23      THR 113   0.581  -2.527  -9.386
 1022    H    GLY 114           H        GLY 114  -1.800  -1.054 -13.256
 1023    HA2  GLY 114           HA2      GLY 114  -1.334  -1.734 -16.005
 1024    HA3  GLY 114           HA3      GLY 114  -2.215  -3.033 -15.194
 1025    H    GLY 115           H        GLY 115  -3.822  -2.396 -16.884
 1026    HA2  GLY 115           HA2      GLY 115  -5.973  -1.620 -17.309
 1027    HA3  GLY 115           HA3      GLY 115  -5.957  -0.777 -15.764
 1028    H    GLN 116           H        GLN 116  -7.003   1.002 -16.730
 1029    HA   GLN 116           HA       GLN 116  -5.242   2.938 -18.096
 1030    HB2  GLN 116           HB2      GLN 116  -6.343   1.717 -19.909
 1031    HB3  GLN 116           HB3      GLN 116  -7.934   2.042 -19.208
 1032    HG2  GLN 116           HG2      GLN 116  -7.700   4.434 -19.650
 1033    HG3  GLN 116           HG3      GLN 116  -6.015   4.220 -20.136
 1034   HE21  GLN 116          HE21      GLN 116  -7.091   5.507 -22.039
 1035   HE22  GLN 116          HE22      GLN 116  -7.699   4.496 -23.344
 1036    H    GLN 117           H        GLN 117  -5.843   5.102 -17.795
 1037    HA   GLN 117           HA       GLN 117  -8.149   5.792 -16.097
 1038    HB2  GLN 117           HB2      GLN 117  -6.790   6.867 -14.386
 1039    HB3  GLN 117           HB3      GLN 117  -6.433   5.145 -14.474
 1040    HG2  GLN 117           HG2      GLN 117  -4.374   5.689 -15.845
 1041    HG3  GLN 117           HG3      GLN 117  -4.709   7.404 -15.589
 1042   HE21  GLN 117          HE21      GLN 117  -4.888   8.074 -13.163
 1043   HE22  GLN 117          HE22      GLN 117  -3.852   7.205 -12.042
 1044    H    MET 118           H        MET 118  -8.463   8.109 -15.875
 1045    HA   MET 118           HA       MET 118  -7.007   9.954 -17.612
 1046    HB2  MET 118           HB2      MET 118  -8.934  10.594 -18.969
 1047    HB3  MET 118           HB3      MET 118  -8.512   8.907 -19.240
 1048    HG2  MET 118           HG2      MET 118 -10.364   8.200 -17.743
 1049    HG3  MET 118           HG3      MET 118 -10.787   9.896 -17.476
 1050    HE1  MET 118           HE1      MET 118 -13.800   8.629 -19.600
 1051    HE2  MET 118           HE2      MET 118 -12.904   7.739 -18.349
 1052    HE3  MET 118           HE3      MET 118 -13.284   9.462 -18.117
 1053    H    GLY 119           H        GLY 119  -7.731  12.170 -17.379
 1054    HA2  GLY 119           HA2      GLY 119  -8.379  12.923 -14.646
 1055    HA3  GLY 119           HA3      GLY 119  -8.098  14.009 -16.006
  Start of MODEL   12
    1    H1   MET -11           H1       MET -11   5.400  -1.321  18.470
    2    H2   MET -11           H2       MET -11   6.766  -2.175  18.186
    3    H3   MET -11           H3       MET -11   5.432  -2.928  18.767
    4    HA   MET -11           HA       MET -11   5.651  -1.666  16.116
    5    HB2  MET -11           HB2      MET -11   6.989  -3.760  16.333
    6    HB3  MET -11           HB3      MET -11   5.532  -4.627  16.827
    7    HG2  MET -11           HG2      MET -11   4.505  -4.051  14.594
    8    HG3  MET -11           HG3      MET -11   6.021  -3.265  14.151
    9    HE1  MET -11           HE1      MET -11   5.076  -6.768  15.911
   10    HE2  MET -11           HE2      MET -11   4.005  -6.518  14.512
   11    HE3  MET -11           HE3      MET -11   5.226  -7.807  14.481
   12    HA   PRO -10           HA       PRO -10   1.172  -1.640  16.502
   13    HB2  PRO -10           HB2      PRO -10   0.446  -1.019  13.947
   14    HB3  PRO -10           HB3      PRO -10   1.220   0.158  15.048
   15    HG2  PRO -10           HG2      PRO -10   2.570  -1.567  12.935
   16    HG3  PRO -10           HG3      PRO -10   2.716   0.206  13.163
   17    HD2  PRO -10           HD2      PRO -10   4.550  -1.494  14.189
   18    HD3  PRO -10           HD3      PRO -10   4.026  -0.056  15.114
   19    H    ARG  -9           H        ARG  -9  -0.628  -2.898  15.934
   20    HA   ARG  -9           HA       ARG  -9  -0.212  -5.680  15.157
   21    HB2  ARG  -9           HB2      ARG  -9  -2.789  -4.072  15.394
   22    HB3  ARG  -9           HB3      ARG  -9  -2.665  -5.827  15.300
   23    HG2  ARG  -9           HG2      ARG  -9  -1.412  -5.832  17.454
   24    HG3  ARG  -9           HG3      ARG  -9  -1.609  -4.080  17.574
   25    HD2  ARG  -9           HD2      ARG  -9  -3.874  -6.115  17.475
   26    HD3  ARG  -9           HD3      ARG  -9  -3.261  -5.369  18.940
   27    HE   ARG  -9           HE       ARG  -9  -5.095  -4.211  17.000
   28   HH11  ARG  -9          HH11      ARG  -9  -2.779  -3.288  19.459
   29   HH12  ARG  -9          HH12      ARG  -9  -3.585  -1.777  19.779
   30   HH21  ARG  -9          HH21      ARG  -9  -6.146  -2.275  17.557
   31   HH22  ARG  -9          HH22      ARG  -9  -5.382  -1.215  18.686
   32    H    PHE  -8           H        PHE  -8  -0.964  -2.751  13.410
   33    HA   PHE  -8           HA       PHE  -8  -2.023  -3.690  11.034
   34    HB2  PHE  -8           HB2      PHE  -8  -1.868  -1.380  11.234
   35    HB3  PHE  -8           HB3      PHE  -8  -0.150  -1.423  11.591
   36    HD1  PHE  -8           HD1      PHE  -8  -2.655  -1.732   8.870
   37    HD2  PHE  -8           HD2      PHE  -8   1.543  -1.563   9.845
   38    HE1  PHE  -8           HE1      PHE  -8  -2.091  -1.533   6.459
   39    HE2  PHE  -8           HE2      PHE  -8   2.093  -1.383   7.426
   40    HZ   PHE  -8           HZ       PHE  -8   0.279  -1.374   5.741
   41    H    TRP  -7           H        TRP  -7   1.487  -3.786  11.780
   42    HA   TRP  -7           HA       TRP  -7   2.158  -4.713   9.159
   43    HB2  TRP  -7           HB2      TRP  -7   3.790  -3.579  10.463
   44    HB3  TRP  -7           HB3      TRP  -7   3.721  -4.804  11.728
   45    HD1  TRP  -7           HD1      TRP  -7   5.227  -6.881  11.487
   46    HE1  TRP  -7           HE1      TRP  -7   6.835  -7.818   9.725
   47    HE3  TRP  -7           HE3      TRP  -7   4.037  -3.789   7.584
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.458  -7.353   6.947
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.091  -4.123   5.361
   50    HH2  TRP  -7           HH2      TRP  -7   6.788  -5.902   5.029
   51    H    GLU  -6           H        GLU  -6   1.161  -6.533  12.035
   52    HA   GLU  -6           HA       GLU  -6   1.887  -9.146  11.013
   53    HB2  GLU  -6           HB2      GLU  -6  -0.313  -8.382  12.979
   54    HB3  GLU  -6           HB3      GLU  -6   0.312 -10.007  12.667
   55    HG2  GLU  -6           HG2      GLU  -6   2.594  -9.201  13.384
   56    HG3  GLU  -6           HG3      GLU  -6   1.859  -7.665  13.858
   57    H    TYR  -5           H        TYR  -5  -1.081  -7.154  10.741
   58    HA   TYR  -5           HA       TYR  -5  -2.461  -9.012   9.019
   59    HB2  TYR  -5           HB2      TYR  -5  -2.915  -6.131   9.735
   60    HB3  TYR  -5           HB3      TYR  -5  -3.785  -6.876   8.409
   61    HD1  TYR  -5           HD1      TYR  -5  -5.389  -8.675   8.719
   62    HD2  TYR  -5           HD2      TYR  -5  -3.375  -6.852  12.073
   63    HE1  TYR  -5           HE1      TYR  -5  -7.063  -9.664  10.267
   64    HE2  TYR  -5           HE2      TYR  -5  -5.065  -7.828  13.620
   65    HH   TYR  -5           HH       TYR  -5  -6.894  -9.196  13.817
   66    H    TRP  -4           H        TRP  -4  -0.347  -6.283   8.293
   67    HA   TRP  -4           HA       TRP  -4  -0.755  -6.377   5.438
   68    HB2  TRP  -4           HB2      TRP  -4   0.042  -4.448   6.914
   69    HB3  TRP  -4           HB3      TRP  -4   1.613  -5.249   6.986
   70    HD1  TRP  -4           HD1      TRP  -4   3.066  -5.245   4.766
   71    HE1  TRP  -4           HE1      TRP  -4   2.908  -3.979   2.532
   72    HE3  TRP  -4           HE3      TRP  -4  -1.741  -3.559   5.129
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.859  -2.708   0.971
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.807  -2.404   3.211
   75    HH2  TRP  -4           HH2      TRP  -4  -1.535  -1.969   1.133
   76    H    LEU  -3           H        LEU  -3   1.704  -7.928   7.575
   77    HA   LEU  -3           HA       LEU  -3   3.242  -9.089   5.480
   78    HB2  LEU  -3           HB2      LEU  -3   3.811  -8.908   7.957
   79    HB3  LEU  -3           HB3      LEU  -3   2.666 -10.216   8.247
   80    HG   LEU  -3           HG       LEU  -3   4.112 -11.617   6.597
   81   HD11  LEU  -3          HD11      LEU  -3   5.359  -9.630   5.649
   82   HD12  LEU  -3          HD12      LEU  -3   6.427 -10.880   6.311
   83   HD13  LEU  -3          HD13      LEU  -3   6.104  -9.397   7.238
   84   HD21  LEU  -3          HD21      LEU  -3   5.321 -10.657   9.222
   85   HD22  LEU  -3          HD22      LEU  -3   5.770 -12.140   8.346
   86   HD23  LEU  -3          HD23      LEU  -3   4.142 -11.972   9.024
   87    H    ARG  -2           H        ARG  -2   0.131 -10.028   6.863
   88    HA   ARG  -2           HA       ARG  -2  -0.020 -12.701   5.828
   89    HB2  ARG  -2           HB2      ARG  -2  -1.399 -11.438   7.698
   90    HB3  ARG  -2           HB3      ARG  -2  -2.391 -10.935   6.344
   91    HG2  ARG  -2           HG2      ARG  -2  -3.462 -12.859   7.138
   92    HG3  ARG  -2           HG3      ARG  -2  -2.560 -13.440   5.736
   93    HD2  ARG  -2           HD2      ARG  -2  -0.733 -13.698   7.858
   94    HD3  ARG  -2           HD3      ARG  -2  -2.266 -14.076   8.626
   95    HE   ARG  -2           HE       ARG  -2  -1.053 -15.469   6.245
   96   HH11  ARG  -2          HH11      ARG  -2  -3.385 -15.761   8.858
   97   HH12  ARG  -2          HH12      ARG  -2  -3.514 -17.484   8.613
   98   HH21  ARG  -2          HH21      ARG  -2  -0.938 -17.599   6.309
   99   HH22  ARG  -2          HH22      ARG  -2  -1.959 -18.510   7.415
  100    H    LEU  -1           H        LEU  -1  -0.555  -9.576   4.307
  101    HA   LEU  -1           HA       LEU  -1  -1.943 -10.505   1.949
  102    HB2  LEU  -1           HB2      LEU  -1  -0.023  -8.197   2.420
  103    HB3  LEU  -1           HB3      LEU  -1  -0.796  -8.466   0.883
  104    HG   LEU  -1           HG       LEU  -1  -2.378  -7.983   3.433
  105   HD11  LEU  -1          HD11      LEU  -1  -2.593  -5.675   2.589
  106   HD12  LEU  -1          HD12      LEU  -1  -1.537  -6.076   1.211
  107   HD13  LEU  -1          HD13      LEU  -1  -0.887  -6.080   2.859
  108   HD21  LEU  -1          HD21      LEU  -1  -4.189  -7.463   1.859
  109   HD22  LEU  -1          HD22      LEU  -1  -3.584  -9.095   1.498
  110   HD23  LEU  -1          HD23      LEU  -1  -3.121  -7.737   0.473
  111    H    MET   0           H        MET   0   1.576  -9.882   2.515
  112    HA   MET   0           HA       MET   0   2.239 -10.964  -0.064
  113    HB2  MET   0           HB2      MET   0   4.558 -10.643   0.545
  114    HB3  MET   0           HB3      MET   0   3.592  -9.223   0.928
  115    HG2  MET   0           HG2      MET   0   3.603  -9.812   3.310
  116    HG3  MET   0           HG3      MET   0   4.451 -11.321   2.956
  117    HE1  MET   0           HE1      MET   0   4.720  -7.516   3.587
  118    HE2  MET   0           HE2      MET   0   6.296  -7.083   2.886
  119    HE3  MET   0           HE3      MET   0   4.954  -7.512   1.811
  120    H    GLU   1           H        GLU   1   2.121 -12.422   3.184
  121    HA   GLU   1           HA       GLU   1   3.340 -14.932   2.463
  122    HB2  GLU   1           HB2      GLU   1   3.287 -14.145   4.707
  123    HB3  GLU   1           HB3      GLU   1   1.544 -14.011   4.736
  124    HG2  GLU   1           HG2      GLU   1   2.911 -16.687   4.276
  125    HG3  GLU   1           HG3      GLU   1   2.762 -16.002   5.893
  126    H    GLY   2           H        GLY   2  -0.067 -13.793   2.382
  127    HA2  GLY   2           HA2      GLY   2  -1.177 -16.348   1.603
  128    HA3  GLY   2           HA3      GLY   2  -1.957 -14.765   1.556
  129    H    GLY   3           H        GLY   3  -0.281 -13.397  -0.208
  130    HA2  GLY   3           HA2      GLY   3   0.369 -13.048  -2.348
  131    HA3  GLY   3           HA3      GLY   3   0.602 -14.786  -2.491
  132    H    GLY   4           H        GLY   4  -2.714 -14.303  -1.906
  133    HA2  GLY   4           HA2      GLY   4  -3.985 -13.385  -4.131
  134    HA3  GLY   4           HA3      GLY   4  -3.318 -14.903  -4.725
  135    H    GLU   5           H        GLU   5  -5.133 -16.083  -5.004
  136    HA   GLU   5           HA       GLU   5  -7.479 -15.927  -3.434
  137    HB2  GLU   5           HB2      GLU   5  -8.306 -17.734  -4.790
  138    HB3  GLU   5           HB3      GLU   5  -7.383 -16.608  -5.791
  139    HG2  GLU   5           HG2      GLU   5  -5.416 -18.171  -5.672
  140    HG3  GLU   5           HG3      GLU   5  -6.404 -19.308  -4.751
  141    H    ASN   6           H        ASN   6  -4.675 -17.494  -2.429
  142    HA   ASN   6           HA       ASN   6  -5.456 -19.913  -1.271
  143    HB2  ASN   6           HB2      ASN   6  -3.146 -19.091  -1.487
  144    HB3  ASN   6           HB3      ASN   6  -3.469 -17.812  -0.315
  145   HD21  ASN   6          HD21      ASN   6  -2.981 -21.305  -0.709
  146   HD22  ASN   6          HD22      ASN   6  -2.709 -21.596   1.001
  147    H    LEU   7           H        LEU   7  -6.028 -16.650  -0.004
  148    HA   LEU   7           HA       LEU   7  -6.879 -17.344   2.637
  149    HB2  LEU   7           HB2      LEU   7  -7.511 -14.978   0.815
  150    HB3  LEU   7           HB3      LEU   7  -8.063 -15.090   2.472
  151    HG   LEU   7           HG       LEU   7  -6.221 -13.647   2.406
  152   HD11  LEU   7          HD11      LEU   7  -6.397 -15.168   4.359
  153   HD12  LEU   7          HD12      LEU   7  -4.760 -14.552   4.073
  154   HD13  LEU   7          HD13      LEU   7  -5.162 -16.216   3.612
  155   HD21  LEU   7          HD21      LEU   7  -5.080 -14.492   0.372
  156   HD22  LEU   7          HD22      LEU   7  -4.373 -15.800   1.356
  157   HD23  LEU   7          HD23      LEU   7  -4.020 -14.097   1.723
  158    H    TYR   8           H        TYR   8  -8.532 -17.696  -0.389
  159    HA   TYR   8           HA       TYR   8 -11.015 -18.503   1.025
  160    HB2  TYR   8           HB2      TYR   8 -11.710 -16.780  -0.297
  161    HB3  TYR   8           HB3      TYR   8 -10.652 -17.214  -1.628
  162    HD1  TYR   8           HD1      TYR   8 -13.825 -18.098   0.090
  163    HD2  TYR   8           HD2      TYR   8 -11.280 -18.811  -3.325
  164    HE1  TYR   8           HE1      TYR   8 -15.669 -19.350  -1.031
  165    HE2  TYR   8           HE2      TYR   8 -13.122 -20.060  -4.438
  166    HH   TYR   8           HH       TYR   8 -15.283 -20.805  -4.286
  167    H    PHE   9           H        PHE   9  -8.747 -19.584  -1.449
  168    HA   PHE   9           HA       PHE   9  -9.876 -22.087  -1.979
  169    HB2  PHE   9           HB2      PHE   9  -8.336 -21.372  -3.489
  170    HB3  PHE   9           HB3      PHE   9  -7.158 -20.938  -2.274
  171    HD1  PHE   9           HD2      PHE   9  -5.641 -22.577  -1.257
  172    HD2  PHE   9           HD1      PHE   9  -8.482 -23.711  -4.299
  173    HE1  PHE   9           HE2      PHE   9  -4.416 -24.710  -1.608
  174    HE2  PHE   9           HE1      PHE   9  -7.254 -25.843  -4.647
  175    HZ   PHE   9           HZ       PHE   9  -5.222 -26.345  -3.302
  176    H    GLN  10           H        GLN  10  -8.304 -21.222   0.919
  177    HA   GLN  10           HA       GLN  10  -7.717 -23.692   2.123
  178    HB2  GLN  10           HB2      GLN  10  -7.106 -21.607   3.115
  179    HB3  GLN  10           HB3      GLN  10  -8.757 -21.010   3.080
  180    HG2  GLN  10           HG2      GLN  10  -8.108 -21.486   5.350
  181    HG3  GLN  10           HG3      GLN  10  -9.426 -22.520   4.862
  182   HE21  GLN  10          HE21      GLN  10  -8.828 -23.949   6.668
  183   HE22  GLN  10          HE22      GLN  10  -7.436 -25.012   6.508
  184    H    GLY  11           H        GLY  11 -10.889 -22.462   1.243
  185    HA2  GLY  11           HA2      GLY  11 -12.833 -23.825   1.125
  186    HA3  GLY  11           HA3      GLY  11 -12.226 -24.853   2.423
  187    H    MET  12           H        MET  12 -11.540 -22.035   3.693
  188    HA   MET  12           HA       MET  12 -14.075 -20.770   4.237
  189    HB2  MET  12           HB2      MET  12 -14.019 -20.908   6.638
  190    HB3  MET  12           HB3      MET  12 -14.174 -22.518   5.973
  191    HG2  MET  12           HG2      MET  12 -11.555 -21.315   6.974
  192    HG3  MET  12           HG3      MET  12 -12.655 -22.237   7.977
  193    HE1  MET  12           HE1      MET  12 -12.360 -25.887   6.632
  194    HE2  MET  12           HE2      MET  12 -13.124 -24.799   7.811
  195    HE3  MET  12           HE3      MET  12 -13.578 -24.718   6.090
  196    H    SER  13           H        SER  13 -13.693 -18.693   5.444
  197    HA   SER  13           HA       SER  13 -11.589 -17.285   4.200
  198    HB2  SER  13           HB2      SER  13 -12.224 -15.417   5.769
  199    HB3  SER  13           HB3      SER  13 -13.513 -16.070   4.740
  200    HG   SER  13           HG       SER  13 -13.049 -16.721   7.482
  201    H    VAL  14           H        VAL  14  -9.563 -17.221   4.548
  202    HA   VAL  14           HA       VAL  14  -7.574 -16.977   5.384
  203    HB   VAL  14           HB       VAL  14  -8.620 -16.220   8.070
  204   HG11  VAL  14          HG11      VAL  14  -6.057 -15.452   6.608
  205   HG12  VAL  14          HG12      VAL  14  -6.586 -14.838   8.183
  206   HG13  VAL  14          HG13      VAL  14  -6.183 -16.541   8.005
  207   HG21  VAL  14          HG21      VAL  14  -8.527 -13.871   7.242
  208   HG22  VAL  14          HG22      VAL  14  -8.274 -14.489   5.597
  209   HG23  VAL  14          HG23      VAL  14  -9.790 -14.819   6.465
  210    HA   PRO  15           HA       PRO  15  -6.662 -21.034   7.227
  211    HB2  PRO  15           HB2      PRO  15  -4.118 -21.304   6.333
  212    HB3  PRO  15           HB3      PRO  15  -5.503 -21.364   5.204
  213    HG2  PRO  15           HG2      PRO  15  -3.739 -18.982   5.839
  214    HG3  PRO  15           HG3      PRO  15  -4.185 -19.628   4.230
  215    HD2  PRO  15           HD2      PRO  15  -5.535 -17.552   5.456
  216    HD3  PRO  15           HD3      PRO  15  -6.344 -18.727   4.363
  217    H    THR  16           H        THR  16  -4.906 -21.868   8.712
  218    HA   THR  16           HA       THR  16  -4.327 -20.137  10.880
  219    HB   THR  16           HB       THR  16  -4.476 -22.654  10.926
  220    HG1  THR  16           HG1      THR  16  -3.168 -22.661  12.728
  221   HG21  THR  16          HG21      THR  16  -2.405 -23.913  10.792
  222   HG22  THR  16          HG22      THR  16  -1.475 -22.459  10.375
  223   HG23  THR  16          HG23      THR  16  -2.666 -23.117   9.231
  224    H    ASP  17           H        ASP  17  -2.162 -19.700  11.826
  225    HA   ASP  17           HA       ASP  17  -1.011 -17.711  10.186
  226    HB2  ASP  17           HB2      ASP  17  -0.218 -18.788  12.886
  227    HB3  ASP  17           HB3      ASP  17   0.675 -17.499  12.091
  228    H    GLY  18           H        GLY  18   1.093 -17.201   9.532
  229    HA2  GLY  18           HA2      GLY  18   3.047 -19.347   9.058
  230    HA3  GLY  18           HA3      GLY  18   2.231 -18.731   7.622
  231    H    ALA  19           H        ALA  19   4.629 -18.374   7.278
  232    HA   ALA  19           HA       ALA  19   6.441 -17.164   6.921
  233    HB1  ALA  19           HB1      ALA  19   6.405 -14.717   6.952
  234    HB2  ALA  19           HB2      ALA  19   5.008 -15.395   6.107
  235    HB3  ALA  19           HB3      ALA  19   4.821 -14.732   7.749
  236    H    VAL  20           H        VAL  20   5.063 -16.358  10.123
  237    HA   VAL  20           HA       VAL  20   7.618 -15.906  11.378
  238    HB   VAL  20           HB       VAL  20   6.534 -15.998  13.476
  239   HG11  VAL  20          HG11      VAL  20   4.860 -14.269  13.215
  240   HG12  VAL  20          HG12      VAL  20   6.153 -13.992  12.038
  241   HG13  VAL  20          HG13      VAL  20   4.603 -14.688  11.512
  242   HG21  VAL  20          HG21      VAL  20   5.070 -17.939  13.317
  243   HG22  VAL  20          HG22      VAL  20   4.117 -16.520  13.750
  244   HG23  VAL  20          HG23      VAL  20   4.074 -17.132  12.083
  245    H    THR  21           H        THR  21   9.116 -17.235  12.082
  246    HA   THR  21           HA       THR  21  10.382 -18.994  12.185
  247    HB   THR  21           HB       THR  21   8.891 -19.157  14.242
  248    HG1  THR  21           HG1      THR  21  10.244 -20.766  14.957
  249   HG21  THR  21          HG21      THR  21   7.997 -21.375  14.701
  250   HG22  THR  21          HG22      THR  21   8.344 -21.913  13.047
  251   HG23  THR  21          HG23      THR  21   7.124 -20.658  13.346
  252    H    THR  22           H        THR  22   8.447 -19.081   9.752
  253    HA   THR  22           HA       THR  22   8.606 -21.787   8.923
  254    HB   THR  22           HB       THR  22   8.012 -19.738   6.871
  255    HG1  THR  22           HG1      THR  22   6.336 -20.376   9.056
  256   HG21  THR  22          HG21      THR  22   6.206 -21.317   6.319
  257   HG22  THR  22          HG22      THR  22   6.661 -22.351   7.692
  258   HG23  THR  22          HG23      THR  22   7.769 -22.144   6.317
  259    H    SER  23           H        SER  23  11.197 -21.067   9.512
  260    HA   SER  23           HA       SER  23  12.808 -20.513   7.213
  261    HB2  SER  23           HB2      SER  23  13.538 -21.751   9.895
  262    HB3  SER  23           HB3      SER  23  14.684 -21.084   8.714
  263    HG   SER  23           HG       SER  23  14.162 -19.550  10.321
  264    H    GLN  24           H        GLN  24  11.125 -23.316   7.643
  265    HA   GLN  24           HA       GLN  24  12.995 -25.393   7.107
  266    HB2  GLN  24           HB2      GLN  24  10.758 -25.731   8.054
  267    HB3  GLN  24           HB3      GLN  24  10.010 -25.107   6.587
  268    HG2  GLN  24           HG2      GLN  24   9.796 -27.513   6.671
  269    HG3  GLN  24           HG3      GLN  24  10.788 -27.055   5.303
  270   HE21  GLN  24          HE21      GLN  24  11.466 -29.394   5.404
  271   HE22  GLN  24          HE22      GLN  24  12.729 -29.834   6.545
  272    H    ILE  25           H        ILE  25  11.571 -23.045   4.942
  273    HA   ILE  25           HA       ILE  25  12.612 -24.503   2.552
  274    HB   ILE  25           HB       ILE  25  10.898 -23.315   1.238
  275   HG12  ILE  25          HG12      ILE  25   9.643 -22.494   3.898
  276   HG13  ILE  25          HG13      ILE  25  10.547 -21.397   2.853
  277   HG21  ILE  25          HG21      ILE  25   9.695 -24.970   3.499
  278   HG22  ILE  25          HG22      ILE  25   9.075 -24.791   1.845
  279   HG23  ILE  25          HG23      ILE  25  10.596 -25.639   2.123
  280   HD11  ILE  25          HD11      ILE  25   8.196 -21.082   2.450
  281   HD12  ILE  25          HD12      ILE  25   8.924 -21.817   1.008
  282   HD13  ILE  25          HD13      ILE  25   7.952 -22.805   2.128
  283    HA   PRO  26           HA       PRO  26  15.344 -21.180   1.590
  284    HB2  PRO  26           HB2      PRO  26  14.249 -21.229  -1.224
  285    HB3  PRO  26           HB3      PRO  26  15.957 -21.238  -0.675
  286    HG2  PRO  26           HG2      PRO  26  14.791 -23.540  -1.482
  287    HG3  PRO  26           HG3      PRO  26  15.795 -23.533   0.007
  288    HD2  PRO  26           HD2      PRO  26  12.774 -23.379  -0.224
  289    HD3  PRO  26           HD3      PRO  26  13.779 -24.413   0.837
  290    H    ALA  27           H        ALA  27  15.466 -18.944   1.421
  291    HA   ALA  27           HA       ALA  27  13.027 -17.494   1.916
  292    HB1  ALA  27           HB1      ALA  27  14.568 -15.606   2.265
  293    HB2  ALA  27           HB2      ALA  27  15.162 -17.064   3.078
  294    HB3  ALA  27           HB3      ALA  27  15.900 -16.536   1.546
  295    H    SER  28           H        SER  28  14.852 -17.992  -1.053
  296    HA   SER  28           HA       SER  28  14.149 -15.550  -2.378
  297    HB2  SER  28           HB2      SER  28  14.902 -16.707  -4.427
  298    HB3  SER  28           HB3      SER  28  16.067 -16.778  -3.101
  299    HG   SER  28           HG       SER  28  14.207 -18.862  -3.684
  300    H    GLU  29           H        GLU  29  12.255 -14.885  -3.081
  301    HA   GLU  29           HA       GLU  29   9.959 -16.657  -3.249
  302    HB2  GLU  29           HB2      GLU  29  10.093 -13.719  -4.037
  303    HB3  GLU  29           HB3      GLU  29   8.701 -14.670  -3.551
  304    HG2  GLU  29           HG2      GLU  29   9.045 -13.543  -1.628
  305    HG3  GLU  29           HG3      GLU  29   9.982 -14.981  -1.273
  306    H    GLN  30           H        GLN  30  12.153 -15.311  -5.594
  307    HA   GLN  30           HA       GLN  30  12.300 -15.280  -7.836
  308    HB2  GLN  30           HB2      GLN  30  10.679 -17.842  -7.695
  309    HB3  GLN  30           HB3      GLN  30  11.682 -17.328  -9.044
  310    HG2  GLN  30           HG2      GLN  30  12.701 -17.999  -6.249
  311    HG3  GLN  30           HG3      GLN  30  12.770 -19.050  -7.650
  312   HE21  GLN  30          HE21      GLN  30  15.115 -18.420  -6.237
  313   HE22  GLN  30          HE22      GLN  30  16.111 -17.419  -7.285
  314    H    GLU  31           H        GLU  31  10.061 -13.731  -6.778
  315    HA   GLU  31           HA       GLU  31   7.865 -13.825  -8.656
  316    HB2  GLU  31           HB2      GLU  31   8.837 -11.614  -6.812
  317    HB3  GLU  31           HB3      GLU  31   7.387 -11.519  -7.830
  318    HG2  GLU  31           HG2      GLU  31   6.556 -13.624  -6.688
  319    HG3  GLU  31           HG3      GLU  31   7.891 -13.455  -5.546
  320    H    THR  32           H        THR  32   7.373 -12.578 -10.437
  321    HA   THR  32           HA       THR  32   9.573 -11.572 -12.102
  322    HB   THR  32           HB       THR  32   7.564 -10.935 -13.590
  323    HG1  THR  32           HG1      THR  32   5.616 -11.921 -13.054
  324   HG21  THR  32          HG21      THR  32   7.821 -13.860 -12.763
  325   HG22  THR  32          HG22      THR  32   8.862 -13.009 -13.925
  326   HG23  THR  32          HG23      THR  32   7.147 -13.250 -14.291
  327    H    LEU  33           H        LEU  33   9.591  -9.413 -12.953
  328    HA   LEU  33           HA       LEU  33   8.927  -7.298 -11.028
  329    HB2  LEU  33           HB2      LEU  33  10.174  -7.240 -13.803
  330    HB3  LEU  33           HB3      LEU  33   9.924  -5.817 -12.806
  331    HG   LEU  33           HG       LEU  33  11.736  -8.151 -12.065
  332   HD11  LEU  33          HD11      LEU  33  12.318  -5.335 -13.099
  333   HD12  LEU  33          HD12      LEU  33  12.575  -6.856 -13.974
  334   HD13  LEU  33          HD13      LEU  33  13.541  -6.501 -12.535
  335   HD21  LEU  33          HD21      LEU  33  10.887  -7.002 -10.046
  336   HD22  LEU  33          HD22      LEU  33  11.340  -5.426 -10.743
  337   HD23  LEU  33          HD23      LEU  33  12.588  -6.620 -10.317
  338    H    VAL  34           H        VAL  34   7.612  -5.623 -11.314
  339    HA   VAL  34           HA       VAL  34   5.841  -5.411 -13.679
  340    HB   VAL  34           HB       VAL  34   3.954  -4.834 -12.492
  341   HG11  VAL  34          HG11      VAL  34   4.530  -7.245 -12.355
  342   HG12  VAL  34          HG12      VAL  34   5.169  -6.953 -10.711
  343   HG13  VAL  34          HG13      VAL  34   3.448  -6.675 -11.071
  344   HG21  VAL  34          HG21      VAL  34   4.557  -3.284 -10.845
  345   HG22  VAL  34          HG22      VAL  34   3.978  -4.658  -9.901
  346   HG23  VAL  34          HG23      VAL  34   5.709  -4.388 -10.064
  347    H    ARG  35           H        ARG  35   5.051  -3.228 -14.078
  348    HA   ARG  35           HA       ARG  35   6.990  -1.150 -13.138
  349    HB2  ARG  35           HB2      ARG  35   6.890  -1.827 -15.638
  350    HB3  ARG  35           HB3      ARG  35   5.414  -0.882 -15.705
  351    HG2  ARG  35           HG2      ARG  35   8.220   0.046 -14.952
  352    HG3  ARG  35           HG3      ARG  35   7.316   0.445 -16.412
  353    HD2  ARG  35           HD2      ARG  35   5.661   1.701 -14.980
  354    HD3  ARG  35           HD3      ARG  35   6.711   1.370 -13.581
  355    HE   ARG  35           HE       ARG  35   8.124   2.607 -15.800
  356   HH11  ARG  35          HH11      ARG  35   6.193   3.393 -12.964
  357   HH12  ARG  35          HH12      ARG  35   6.923   4.975 -12.825
  358   HH21  ARG  35          HH21      ARG  35   8.999   4.617 -15.534
  359   HH22  ARG  35          HH22      ARG  35   8.465   5.644 -14.241
  360    HA   PRO  36           HA       PRO  36   2.983   0.039 -11.213
  361    HB2  PRO  36           HB2      PRO  36   4.093   1.396  -9.070
  362    HB3  PRO  36           HB3      PRO  36   3.734  -0.361  -9.111
  363    HG2  PRO  36           HG2      PRO  36   6.366   1.040  -9.491
  364    HG3  PRO  36           HG3      PRO  36   5.992  -0.505  -8.645
  365    HD2  PRO  36           HD2      PRO  36   7.035  -0.347 -11.191
  366    HD3  PRO  36           HD3      PRO  36   6.033  -1.711 -10.616
  367    H    LYS  37           H        LYS  37   1.908   2.040 -11.116
  368    HA   LYS  37           HA       LYS  37   2.681   3.906 -13.085
  369    HB2  LYS  37           HB2      LYS  37   0.700   5.135 -12.511
  370    HB3  LYS  37           HB3      LYS  37   0.352   3.415 -12.420
  371    HG2  LYS  37           HG2      LYS  37   0.420   3.500  -9.947
  372    HG3  LYS  37           HG3      LYS  37   0.941   5.186 -10.008
  373    HD2  LYS  37           HD2      LYS  37  -1.371   5.264  -9.523
  374    HD3  LYS  37           HD3      LYS  37  -1.200   5.770 -11.204
  375    HE2  LYS  37           HE2      LYS  37  -1.769   3.366 -11.870
  376    HE3  LYS  37           HE3      LYS  37  -2.084   3.049 -10.154
  377    HZ1  LYS  37           HZ1      LYS  37  -3.829   4.751 -10.227
  378    HZ2  LYS  37           HZ2      LYS  37  -4.125   3.608 -11.356
  379    HZ3  LYS  37           HZ3      LYS  37  -3.530   5.055 -11.805
  380    HA   PRO  38           HA       PRO  38   5.334   6.918 -11.306
  381    HB2  PRO  38           HB2      PRO  38   3.402   9.049 -12.241
  382    HB3  PRO  38           HB3      PRO  38   5.186   8.989 -12.411
  383    HG2  PRO  38           HG2      PRO  38   3.632   8.307 -14.505
  384    HG3  PRO  38           HG3      PRO  38   5.034   7.269 -14.082
  385    HD2  PRO  38           HD2      PRO  38   2.113   6.854 -13.395
  386    HD3  PRO  38           HD3      PRO  38   3.306   5.682 -14.033
  387    H    LEU  39           H        LEU  39   1.892   7.558 -10.531
  388    HA   LEU  39           HA       LEU  39   2.309   9.087  -8.169
  389    HB2  LEU  39           HB2      LEU  39   0.182   8.841  -9.519
  390    HB3  LEU  39           HB3      LEU  39   0.013   7.214  -8.867
  391    HG   LEU  39           HG       LEU  39  -0.098   8.239  -6.536
  392   HD11  LEU  39          HD11      LEU  39   0.943  10.430  -6.998
  393   HD12  LEU  39          HD12      LEU  39  -0.722  10.661  -6.449
  394   HD13  LEU  39          HD13      LEU  39  -0.336  10.811  -8.174
  395   HD21  LEU  39          HD21      LEU  39  -2.417   8.969  -6.777
  396   HD22  LEU  39          HD22      LEU  39  -2.116   7.541  -7.776
  397   HD23  LEU  39          HD23      LEU  39  -2.207   9.145  -8.535
  398    H    LEU  40           H        LEU  40   2.343   5.579  -8.671
  399    HA   LEU  40           HA       LEU  40   2.459   4.959  -5.809
  400    HB2  LEU  40           HB2      LEU  40   1.330   3.455  -7.420
  401    HB3  LEU  40           HB3      LEU  40   2.830   3.235  -8.292
  402    HG   LEU  40           HG       LEU  40   3.852   2.060  -6.429
  403   HD11  LEU  40          HD11      LEU  40   2.877   3.220  -4.488
  404   HD12  LEU  40          HD12      LEU  40   2.488   1.500  -4.385
  405   HD13  LEU  40          HD13      LEU  40   1.259   2.659  -4.948
  406   HD21  LEU  40          HD21      LEU  40   2.566   0.079  -6.503
  407   HD22  LEU  40          HD22      LEU  40   2.109   0.911  -8.001
  408   HD23  LEU  40          HD23      LEU  40   1.037   0.957  -6.605
  409    H    LEU  41           H        LEU  41   4.690   5.001  -8.598
  410    HA   LEU  41           HA       LEU  41   7.054   4.250  -7.245
  411    HB2  LEU  41           HB2      LEU  41   6.883   4.377  -9.653
  412    HB3  LEU  41           HB3      LEU  41   6.567   6.110  -9.589
  413    HG   LEU  41           HG       LEU  41   8.819   6.569  -8.809
  414   HD11  LEU  41          HD11      LEU  41   9.260   3.558  -9.008
  415   HD12  LEU  41          HD12      LEU  41   9.366   4.542  -7.526
  416   HD13  LEU  41          HD13      LEU  41  10.555   4.761  -8.807
  417   HD21  LEU  41          HD21      LEU  41   8.381   6.446 -11.228
  418   HD22  LEU  41          HD22      LEU  41   8.817   4.712 -11.220
  419   HD23  LEU  41          HD23      LEU  41  10.036   5.947 -10.845
  420    H    LYS  42           H        LYS  42   5.605   7.530  -7.502
  421    HA   LYS  42           HA       LYS  42   7.460   8.986  -5.920
  422    HB2  LYS  42           HB2      LYS  42   5.579   9.971  -7.186
  423    HB3  LYS  42           HB3      LYS  42   4.425   9.174  -6.119
  424    HG2  LYS  42           HG2      LYS  42   5.483  10.538  -4.188
  425    HG3  LYS  42           HG3      LYS  42   6.281  11.482  -5.446
  426    HD2  LYS  42           HD2      LYS  42   3.285  11.047  -5.047
  427    HD3  LYS  42           HD3      LYS  42   4.165  12.514  -4.643
  428    HE2  LYS  42           HE2      LYS  42   3.780  11.388  -7.455
  429    HE3  LYS  42           HE3      LYS  42   2.822  12.680  -6.729
  430    HZ1  LYS  42           HZ1      LYS  42   4.851  14.023  -6.566
  431    HZ2  LYS  42           HZ2      LYS  42   4.576  13.600  -8.115
  432    HZ3  LYS  42           HZ3      LYS  42   5.745  12.844  -7.265
  433    H    LEU  43           H        LEU  43   4.701   6.975  -4.795
  434    HA   LEU  43           HA       LEU  43   5.044   7.562  -2.001
  435    HB2  LEU  43           HB2      LEU  43   2.972   6.750  -3.075
  436    HB3  LEU  43           HB3      LEU  43   3.693   5.177  -3.338
  437    HG   LEU  43           HG       LEU  43   3.510   6.340  -0.538
  438   HD11  LEU  43          HD11      LEU  43   1.241   6.409  -1.619
  439   HD12  LEU  43          HD12      LEU  43   1.344   5.274  -0.265
  440   HD13  LEU  43          HD13      LEU  43   1.390   4.667  -1.932
  441   HD21  LEU  43          HD21      LEU  43   3.264   3.893   0.045
  442   HD22  LEU  43          HD22      LEU  43   4.824   4.262  -0.669
  443   HD23  LEU  43          HD23      LEU  43   3.563   3.486  -1.653
  444    H    LEU  44           H        LEU  44   6.214   4.835  -4.046
  445    HA   LEU  44           HA       LEU  44   7.610   3.440  -1.968
  446    HB2  LEU  44           HB2      LEU  44   8.199   3.583  -4.955
  447    HB3  LEU  44           HB3      LEU  44   8.797   2.350  -3.853
  448    HG   LEU  44           HG       LEU  44   5.833   2.754  -4.447
  449   HD11  LEU  44          HD11      LEU  44   6.027   0.779  -5.892
  450   HD12  LEU  44          HD12      LEU  44   7.783   0.731  -5.616
  451   HD13  LEU  44          HD13      LEU  44   7.053   2.088  -6.493
  452   HD21  LEU  44          HD21      LEU  44   7.293   0.405  -3.232
  453   HD22  LEU  44          HD22      LEU  44   5.543   0.550  -3.501
  454   HD23  LEU  44          HD23      LEU  44   6.323   1.591  -2.312
  455    H    LYS  45           H        LYS  45   8.682   6.049  -4.180
  456    HA   LYS  45           HA       LYS  45  11.383   6.170  -3.161
  457    HB2  LYS  45           HB2      LYS  45   9.706   8.080  -4.799
  458    HB3  LYS  45           HB3      LYS  45  11.409   8.373  -4.400
  459    HG2  LYS  45           HG2      LYS  45  12.137   6.366  -5.524
  460    HG3  LYS  45           HG3      LYS  45  10.490   5.782  -5.725
  461    HD2  LYS  45           HD2      LYS  45  10.992   6.593  -7.804
  462    HD3  LYS  45           HD3      LYS  45  10.070   7.936  -7.097
  463    HE2  LYS  45           HE2      LYS  45  12.358   8.897  -6.454
  464    HE3  LYS  45           HE3      LYS  45  13.058   7.554  -7.402
  465    HZ1  LYS  45           HZ1      LYS  45  11.941   8.448  -9.369
  466    HZ2  LYS  45           HZ2      LYS  45  12.898   9.601  -8.726
  467    HZ3  LYS  45           HZ3      LYS  45  11.285   9.676  -8.507
  468    H    SER  46           H        SER  46   8.430   7.730  -1.985
  469    HA   SER  46           HA       SER  46   9.744   9.617  -0.274
  470    HB2  SER  46           HB2      SER  46   7.699   9.916   0.803
  471    HB3  SER  46           HB3      SER  46   7.263   9.517  -0.862
  472    HG   SER  46           HG       SER  46   6.855   7.352  -0.132
  473    H    VAL  47           H        VAL  47   9.230   6.150   0.076
  474    HA   VAL  47           HA       VAL  47  10.651   6.151   2.686
  475    HB   VAL  47           HB       VAL  47   9.982   3.892   3.018
  476   HG11  VAL  47          HG11      VAL  47   8.415   5.705   3.679
  477   HG12  VAL  47          HG12      VAL  47   7.562   5.508   2.130
  478   HG13  VAL  47          HG13      VAL  47   7.603   4.176   3.302
  479   HG21  VAL  47          HG21      VAL  47   8.522   2.654   1.560
  480   HG22  VAL  47          HG22      VAL  47   8.415   3.999   0.415
  481   HG23  VAL  47          HG23      VAL  47   9.949   3.130   0.619
  482    H    GLY  48           H        GLY  48  11.725   6.471  -0.242
  483    HA2  GLY  48           HA2      GLY  48  13.933   6.474  -0.831
  484    HA3  GLY  48           HA3      GLY  48  14.316   5.415   0.521
  485    H    ALA  49           H        ALA  49  11.964   4.500  -2.072
  486    HA   ALA  49           HA       ALA  49  13.492   2.081  -2.562
  487    HB1  ALA  49           HB1      ALA  49  11.080   3.163  -4.047
  488    HB2  ALA  49           HB2      ALA  49  11.627   1.468  -3.903
  489    HB3  ALA  49           HB3      ALA  49  10.989   2.295  -2.492
  490    H    GLN  50           H        GLN  50  14.803   1.576  -4.301
  491    HA   GLN  50           HA       GLN  50  16.028   3.891  -5.586
  492    HB2  GLN  50           HB2      GLN  50  17.322   2.246  -4.348
  493    HB3  GLN  50           HB3      GLN  50  16.770   0.958  -5.413
  494    HG2  GLN  50           HG2      GLN  50  19.045   1.511  -5.938
  495    HG3  GLN  50           HG3      GLN  50  18.036   1.947  -7.303
  496   HE21  GLN  50          HE22      GLN  50  17.544   4.327  -7.583
  497   HE22  GLN  50          HE21      GLN  50  18.671   5.502  -6.893
  498    H    LYS  51           H        LYS  51  14.069   1.234  -6.789
  499    HA   LYS  51           HA       LYS  51  15.075   1.474  -9.575
  500    HB2  LYS  51           HB2      LYS  51  13.108  -0.480  -8.323
  501    HB3  LYS  51           HB3      LYS  51  13.828  -0.612  -9.926
  502    HG2  LYS  51           HG2      LYS  51  16.084  -0.819  -8.901
  503    HG3  LYS  51           HG3      LYS  51  15.351  -0.809  -7.291
  504    HD2  LYS  51           HD2      LYS  51  14.740  -2.845  -9.474
  505    HD3  LYS  51           HD3      LYS  51  15.868  -3.100  -8.135
  506    HE2  LYS  51           HE2      LYS  51  14.053  -2.857  -6.493
  507    HE3  LYS  51           HE3      LYS  51  12.902  -2.480  -7.780
  508    HZ1  LYS  51           HZ1      LYS  51  14.305  -5.070  -7.459
  509    HZ2  LYS  51           HZ2      LYS  51  13.274  -4.696  -8.687
  510    HZ3  LYS  51           HZ3      LYS  51  12.729  -4.790  -7.145
  511    H    ASP  52           H        ASP  52  13.376   1.072 -11.301
  512    HA   ASP  52           HA       ASP  52  10.841   2.544 -10.823
  513    HB2  ASP  52           HB2      ASP  52  10.771   3.039 -13.261
  514    HB3  ASP  52           HB3      ASP  52  11.947   3.903 -12.285
  515    H    THR  53           H        THR  53  11.929  -0.483 -11.047
  516    HA   THR  53           HA       THR  53   9.275  -1.597 -11.836
  517    HB   THR  53           HB       THR  53  10.706  -3.635 -12.603
  518    HG1  THR  53           HG1      THR  53  12.705  -3.000 -13.557
  519   HG21  THR  53          HG21      THR  53   9.357  -2.311 -14.169
  520   HG22  THR  53          HG22      THR  53  10.866  -2.893 -14.892
  521   HG23  THR  53          HG23      THR  53  10.717  -1.183 -14.391
  522    H    TYR  54           H        TYR  54   8.697  -3.340 -10.543
  523    HA   TYR  54           HA       TYR  54  10.445  -4.151  -8.281
  524    HB2  TYR  54           HB2      TYR  54   7.801  -2.687  -8.006
  525    HB3  TYR  54           HB3      TYR  54   8.602  -3.532  -6.692
  526    HD1  TYR  54           HD2      TYR  54  10.762  -2.737  -5.756
  527    HD2  TYR  54           HD1      TYR  54   8.581  -0.511  -8.738
  528    HE1  TYR  54           HE2      TYR  54  12.084  -0.689  -5.206
  529    HE2  TYR  54           HE1      TYR  54   9.920   1.516  -8.204
  530    HH   TYR  54           HH       TYR  54  11.807   2.272  -7.136
  531    H    THR  55           H        THR  55   9.695  -5.934  -6.988
  532    HA   THR  55           HA       THR  55   7.739  -7.694  -8.335
  533    HB   THR  55           HB       THR  55   8.201  -9.394  -6.919
  534    HG1  THR  55           HG1      THR  55   9.248  -9.171  -4.964
  535   HG21  THR  55          HG21      THR  55  10.161  -8.905  -8.349
  536   HG22  THR  55          HG22      THR  55  10.592  -9.703  -6.828
  537   HG23  THR  55          HG23      THR  55  10.880  -7.961  -7.019
  538    H    MET  56           H        MET  56   5.794  -8.583  -7.201
  539    HA   MET  56           HA       MET  56   4.208  -6.508  -6.016
  540    HB2  MET  56           HB2      MET  56   3.892  -9.504  -6.282
  541    HB3  MET  56           HB3      MET  56   2.776  -8.578  -5.271
  542    HG2  MET  56           HG2      MET  56   3.364  -7.870  -8.163
  543    HG3  MET  56           HG3      MET  56   2.022  -8.898  -7.655
  544    HE1  MET  56           HE1      MET  56   0.624  -7.097  -9.196
  545    HE2  MET  56           HE2      MET  56   0.515  -5.364  -8.795
  546    HE3  MET  56           HE3      MET  56   2.056  -6.055  -9.357
  547    H    LYS  57           H        LYS  57   6.198  -9.077  -4.466
  548    HA   LYS  57           HA       LYS  57   5.415  -8.290  -1.782
  549    HB2  LYS  57           HB2      LYS  57   6.309 -10.473  -2.134
  550    HB3  LYS  57           HB3      LYS  57   7.829  -9.834  -2.782
  551    HG2  LYS  57           HG2      LYS  57   8.538  -9.015  -0.673
  552    HG3  LYS  57           HG3      LYS  57   6.909  -9.101   0.021
  553    HD2  LYS  57           HD2      LYS  57   6.933 -11.487   0.083
  554    HD3  LYS  57           HD3      LYS  57   8.452 -11.570  -0.822
  555    HE2  LYS  57           HE2      LYS  57   8.179 -10.272   1.924
  556    HE3  LYS  57           HE3      LYS  57   8.606 -11.969   1.686
  557    HZ1  LYS  57           HZ1      LYS  57  10.197  -9.688   0.647
  558    HZ2  LYS  57           HZ2      LYS  57  10.556 -11.280   0.450
  559    HZ3  LYS  57           HZ3      LYS  57  10.586 -10.611   1.940
  560    H    GLU  58           H        GLU  58   8.053  -7.104  -3.908
  561    HA   GLU  58           HA       GLU  58   9.233  -5.375  -1.922
  562    HB2  GLU  58           HB2      GLU  58   9.137  -5.269  -4.945
  563    HB3  GLU  58           HB3      GLU  58   9.972  -4.052  -3.977
  564    HG2  GLU  58           HG2      GLU  58  11.474  -5.674  -3.030
  565    HG3  GLU  58           HG3      GLU  58  10.610  -7.016  -3.776
  566    H    VAL  59           H        VAL  59   6.661  -4.698  -4.367
  567    HA   VAL  59           HA       VAL  59   6.207  -1.987  -3.550
  568    HB   VAL  59           HB       VAL  59   4.235  -3.942  -4.797
  569   HG11  VAL  59          HG11      VAL  59   4.158  -0.891  -4.776
  570   HG12  VAL  59          HG12      VAL  59   2.981  -1.999  -5.521
  571   HG13  VAL  59          HG13      VAL  59   3.136  -1.921  -3.766
  572   HG21  VAL  59          HG21      VAL  59   6.018  -1.810  -6.076
  573   HG22  VAL  59          HG22      VAL  59   6.220  -3.558  -6.242
  574   HG23  VAL  59          HG23      VAL  59   4.793  -2.783  -6.921
  575    H    LEU  60           H        LEU  60   4.529  -5.023  -2.492
  576    HA   LEU  60           HA       LEU  60   2.875  -3.814  -0.524
  577    HB2  LEU  60           HB2      LEU  60   4.119  -6.577  -0.765
  578    HB3  LEU  60           HB3      LEU  60   3.079  -6.157   0.587
  579    HG   LEU  60           HG       LEU  60   2.149  -5.915  -2.305
  580   HD11  LEU  60          HD11      LEU  60   0.985  -8.050  -1.941
  581   HD12  LEU  60          HD12      LEU  60   1.709  -8.194  -0.324
  582   HD13  LEU  60          HD13      LEU  60   2.733  -8.267  -1.778
  583   HD21  LEU  60          HD21      LEU  60   0.668  -6.016   0.362
  584   HD22  LEU  60          HD22      LEU  60  -0.102  -6.007  -1.240
  585   HD23  LEU  60          HD23      LEU  60   0.815  -4.600  -0.694
  586    H    PHE  61           H        PHE  61   6.219  -5.166  -0.074
  587    HA   PHE  61           HA       PHE  61   6.433  -4.524   2.645
  588    HB2  PHE  61           HB2      PHE  61   8.071  -5.942   1.870
  589    HB3  PHE  61           HB3      PHE  61   8.466  -4.917   0.501
  590    HD1  PHE  61           HD2      PHE  61   8.857  -5.233   4.193
  591    HD2  PHE  61           HD1      PHE  61  10.096  -3.157   0.620
  592    HE1  PHE  61           HE2      PHE  61  10.679  -4.128   5.466
  593    HE2  PHE  61           HE1      PHE  61  11.923  -2.066   1.893
  594    HZ   PHE  61           HZ       PHE  61  12.213  -2.540   4.318
  595    H    TYR  62           H        TYR  62   7.497  -2.434  -0.016
  596    HA   TYR  62           HA       TYR  62   8.184  -0.242   1.670
  597    HB2  TYR  62           HB2      TYR  62   7.624  -0.473  -1.258
  598    HB3  TYR  62           HB3      TYR  62   7.987   1.080  -0.520
  599    HD1  TYR  62           HD1      TYR  62  10.194   0.870   1.198
  600    HD2  TYR  62           HD2      TYR  62   9.438  -1.357  -2.420
  601    HE1  TYR  62           HE1      TYR  62  12.641   0.615   0.838
  602    HE2  TYR  62           HE2      TYR  62  11.881  -1.651  -2.750
  603    HH   TYR  62           HH       TYR  62  13.983  -1.246  -1.913
  604    H    LEU  63           H        LEU  63   5.091  -0.861  -0.016
  605    HA   LEU  63           HA       LEU  63   3.814   1.554   0.802
  606    HB2  LEU  63           HB2      LEU  63   2.992   0.199  -1.017
  607    HB3  LEU  63           HB3      LEU  63   2.812  -1.209   0.034
  608    HG   LEU  63           HG       LEU  63   0.974  -0.181   1.236
  609   HD11  LEU  63          HD11      LEU  63   1.649   2.215   1.093
  610   HD12  LEU  63          HD12      LEU  63  -0.001   1.922   0.564
  611   HD13  LEU  63          HD13      LEU  63   1.281   2.192  -0.647
  612   HD21  LEU  63          HD21      LEU  63   0.639   0.114  -1.781
  613   HD22  LEU  63          HD22      LEU  63  -0.666  -0.098  -0.596
  614   HD23  LEU  63          HD23      LEU  63   0.497  -1.402  -0.875
  615    H    GLY  64           H        GLY  64   4.089  -1.650   2.399
  616    HA2  GLY  64           HA2      GLY  64   2.574  -1.139   4.745
  617    HA3  GLY  64           HA3      GLY  64   3.991  -2.197   4.634
  618    H    GLN  65           H        GLN  65   6.119  -0.600   4.193
  619    HA   GLN  65           HA       GLN  65   6.628   0.725   6.640
  620    HB2  GLN  65           HB2      GLN  65   8.039   1.343   4.014
  621    HB3  GLN  65           HB3      GLN  65   8.617   1.633   5.642
  622    HG2  GLN  65           HG2      GLN  65   8.624  -0.880   4.056
  623    HG3  GLN  65           HG3      GLN  65   9.847  -0.213   5.101
  624   HE21  GLN  65          HE21      GLN  65   7.367  -2.543   4.842
  625   HE22  GLN  65          HE22      GLN  65   7.318  -3.033   6.538
  626    H    TYR  66           H        TYR  66   5.283   2.102   3.611
  627    HA   TYR  66           HA       TYR  66   5.486   4.844   4.471
  628    HB2  TYR  66           HB2      TYR  66   5.273   4.276   2.123
  629    HB3  TYR  66           HB3      TYR  66   3.697   3.555   2.405
  630    HD1  TYR  66           HD1      TYR  66   5.597   6.734   2.449
  631    HD2  TYR  66           HD2      TYR  66   1.676   4.936   2.538
  632    HE1  TYR  66           HE1      TYR  66   4.581   8.960   2.079
  633    HE2  TYR  66           HE2      TYR  66   0.652   7.192   2.171
  634    HH   TYR  66           HH       TYR  66   2.662  10.140   1.770
  635    H    ILE  67           H        ILE  67   2.774   2.509   4.541
  636    HA   ILE  67           HA       ILE  67   0.878   4.162   5.885
  637    HB   ILE  67           HB       ILE  67   1.245   1.146   5.796
  638   HG12  ILE  67          HG12      ILE  67  -0.869   2.793   4.359
  639   HG13  ILE  67          HG13      ILE  67   0.725   2.540   3.649
  640   HG21  ILE  67          HG21      ILE  67  -0.085   1.507   7.749
  641   HG22  ILE  67          HG22      ILE  67  -1.029   2.789   6.971
  642   HG23  ILE  67          HG23      ILE  67  -1.235   1.110   6.478
  643   HD11  ILE  67          HD11      ILE  67   0.425   0.088   3.736
  644   HD12  ILE  67          HD12      ILE  67  -1.221   0.317   4.372
  645   HD13  ILE  67          HD13      ILE  67  -0.806   0.896   2.754
  646    H    MET  68           H        MET  68   3.410   2.018   7.176
  647    HA   MET  68           HA       MET  68   2.831   2.397   9.958
  648    HB2  MET  68           HB2      MET  68   5.299   1.526   8.432
  649    HB3  MET  68           HB3      MET  68   5.259   1.590  10.199
  650    HG2  MET  68           HG2      MET  68   3.701  -0.126  10.396
  651    HG3  MET  68           HG3      MET  68   3.025   0.167   8.804
  652    HE1  MET  68           HE1      MET  68   5.865  -1.656  10.818
  653    HE2  MET  68           HE2      MET  68   6.887  -2.282   9.504
  654    HE3  MET  68           HE3      MET  68   6.840  -0.533   9.824
  655    H    THR  69           H        THR  69   5.348   4.034   7.917
  656    HA   THR  69           HA       THR  69   6.116   5.751  10.066
  657    HB   THR  69           HB       THR  69   7.496   5.110   8.060
  658    HG1  THR  69           HG1      THR  69   8.667   6.994   8.296
  659   HG21  THR  69          HG21      THR  69   5.932   5.964   6.304
  660   HG22  THR  69          HG22      THR  69   7.560   6.640   6.185
  661   HG23  THR  69          HG23      THR  69   6.240   7.624   6.860
  662    H    LYS  70           H        LYS  70   3.660   6.223   7.601
  663    HA   LYS  70           HA       LYS  70   2.958   8.931   8.508
  664    HB2  LYS  70           HB2      LYS  70   1.690   6.920   6.622
  665    HB3  LYS  70           HB3      LYS  70   1.010   8.509   6.916
  666    HG2  LYS  70           HG2      LYS  70   3.852   8.113   5.881
  667    HG3  LYS  70           HG3      LYS  70   2.453   8.173   4.825
  668    HD2  LYS  70           HD2      LYS  70   3.224  10.432   6.719
  669    HD3  LYS  70           HD3      LYS  70   3.681  10.337   5.010
  670    HE2  LYS  70           HE2      LYS  70   1.281  10.231   4.366
  671    HE3  LYS  70           HE3      LYS  70   0.820  10.382   6.067
  672    HZ1  LYS  70           HZ1      LYS  70   1.918  12.567   6.092
  673    HZ2  LYS  70           HZ2      LYS  70   0.713  12.513   4.986
  674    HZ3  LYS  70           HZ3      LYS  70   2.279  12.436   4.499
  675    H    ARG  71           H        ARG  71   2.151   5.784   9.616
  676    HA   ARG  71           HA       ARG  71   0.609   4.862  10.966
  677    HB2  ARG  71           HB2      ARG  71   0.498   7.587  12.313
  678    HB3  ARG  71           HB3      ARG  71  -0.133   6.076  12.949
  679    HG2  ARG  71           HG2      ARG  71   1.838   6.120  14.067
  680    HG3  ARG  71           HG3      ARG  71   2.294   5.156  12.672
  681    HD2  ARG  71           HD2      ARG  71   4.052   6.744  13.115
  682    HD3  ARG  71           HD3      ARG  71   3.251   7.232  11.623
  683    HE   ARG  71           HE       ARG  71   2.350   8.470  14.171
  684   HH11  ARG  71          HH11      ARG  71   4.254   9.008  11.245
  685   HH12  ARG  71          HH12      ARG  71   4.184  10.737  11.454
  686   HH21  ARG  71          HH21      ARG  71   2.316  10.667  14.327
  687   HH22  ARG  71          HH22      ARG  71   3.131  11.639  13.140
  688    H    LEU  72           H        LEU  72  -0.467   5.210   8.626
  689    HA   LEU  72           HA       LEU  72  -2.960   6.737   8.694
  690    HB2  LEU  72           HB2      LEU  72  -2.087   4.635   6.689
  691    HB3  LEU  72           HB3      LEU  72  -3.405   5.777   6.488
  692    HG   LEU  72           HG       LEU  72  -0.461   6.482   6.706
  693   HD11  LEU  72          HD11      LEU  72  -1.025   5.354   4.593
  694   HD12  LEU  72          HD12      LEU  72  -0.635   7.060   4.331
  695   HD13  LEU  72          HD13      LEU  72  -2.329   6.529   4.307
  696   HD21  LEU  72          HD21      LEU  72  -2.906   8.218   6.165
  697   HD22  LEU  72          HD22      LEU  72  -1.224   8.749   5.956
  698   HD23  LEU  72          HD23      LEU  72  -1.813   8.318   7.566
  699    H    TYR  73           H        TYR  73  -2.220   3.693  10.005
  700    HA   TYR  73           HA       TYR  73  -4.756   2.422   9.638
  701    HB2  TYR  73           HB2      TYR  73  -4.047   1.002  11.609
  702    HB3  TYR  73           HB3      TYR  73  -3.151   0.922  10.107
  703    HD1  TYR  73           HD1      TYR  73  -3.101   2.562  13.480
  704    HD2  TYR  73           HD2      TYR  73  -0.796   1.224  10.086
  705    HE1  TYR  73           HE1      TYR  73  -1.000   3.064  14.713
  706    HE2  TYR  73           HE2      TYR  73   1.305   1.709  11.337
  707    HH   TYR  73           HH       TYR  73   1.288   3.046  14.657
  708    H    ASP  74           H        ASP  74  -6.533   2.028  10.992
  709    HA   ASP  74           HA       ASP  74  -7.354   4.226  12.695
  710    HB2  ASP  74           HB2      ASP  74  -9.107   3.161  11.660
  711    HB3  ASP  74           HB3      ASP  74  -8.543   1.566  12.059
  712    H    GLU  75           H        GLU  75  -7.078   4.578  14.858
  713    HA   GLU  75           HA       GLU  75  -5.143   3.070  16.328
  714    HB2  GLU  75           HB2      GLU  75  -5.764   4.443  18.224
  715    HB3  GLU  75           HB3      GLU  75  -5.541   5.416  16.770
  716    HG2  GLU  75           HG2      GLU  75  -7.901   5.798  16.540
  717    HG3  GLU  75           HG3      GLU  75  -8.299   4.546  17.714
  718    H    LYS  76           H        LYS  76  -8.637   2.664  16.072
  719    HA   LYS  76           HA       LYS  76  -8.731   0.682  18.279
  720    HB2  LYS  76           HB2      LYS  76 -10.933   1.131  16.244
  721    HB3  LYS  76           HB3      LYS  76 -11.036   0.429  17.843
  722    HG2  LYS  76           HG2      LYS  76 -10.647   3.353  17.113
  723    HG3  LYS  76           HG3      LYS  76 -12.069   2.591  17.816
  724    HD2  LYS  76           HD2      LYS  76 -10.706   2.103  19.898
  725    HD3  LYS  76           HD3      LYS  76  -9.380   3.043  19.176
  726    HE2  LYS  76           HE2      LYS  76 -11.170   4.912  18.840
  727    HE3  LYS  76           HE3      LYS  76 -12.168   3.981  19.963
  728    HZ1  LYS  76           HZ1      LYS  76 -10.224   4.179  21.550
  729    HZ2  LYS  76           HZ2      LYS  76 -10.945   5.605  21.197
  730    HZ3  LYS  76           HZ3      LYS  76  -9.531   5.235  20.483
  731    H    GLN  77           H        GLN  77  -9.546   0.429  14.754
  732    HA   GLN  77           HA       GLN  77  -8.665  -2.428  14.852
  733    HB2  GLN  77           HB2      GLN  77 -10.343  -0.987  12.764
  734    HB3  GLN  77           HB3      GLN  77  -9.959  -2.702  12.826
  735    HG2  GLN  77           HG2      GLN  77 -11.801  -1.112  14.615
  736    HG3  GLN  77           HG3      GLN  77 -12.181  -2.491  13.585
  737   HE21  GLN  77          HE21      GLN  77 -10.729  -4.607  14.302
  738   HE22  GLN  77          HE22      GLN  77 -10.700  -4.836  16.046
  739    H    GLN  78           H        GLN  78  -6.413  -2.170  14.669
  740    HA   GLN  78           HA       GLN  78  -5.264  -0.446  12.668
  741    HB2  GLN  78           HB2      GLN  78  -4.073  -2.640  14.370
  742    HB3  GLN  78           HB3      GLN  78  -3.122  -1.623  13.270
  743    HG2  GLN  78           HG2      GLN  78  -3.879   0.410  14.443
  744    HG3  GLN  78           HG3      GLN  78  -4.850  -0.557  15.551
  745   HE21  GLN  78          HE21      GLN  78  -3.475   0.787  17.115
  746   HE22  GLN  78          HE22      GLN  78  -1.927   0.081  17.562
  747    H    HIS  79           H        HIS  79  -6.804  -3.397  12.301
  748    HA   HIS  79           HA       HIS  79  -5.539  -4.144   9.765
  749    HB2  HIS  79           HB2      HIS  79  -7.141  -5.930   9.741
  750    HB3  HIS  79           HB3      HIS  79  -6.429  -5.802  11.349
  751    HD1  HIS  79           HD1      HIS  79  -9.708  -4.526   9.677
  752    HD2  HIS  79           HD2      HIS  79  -8.154  -6.136  13.234
  753    HE1  HIS  79           HE1      HIS  79 -11.704  -4.876  11.232
  754    H    ILE  80           H        ILE  80  -7.268  -1.472  10.467
  755    HA   ILE  80           HA       ILE  80  -8.357  -1.298   7.699
  756    HB   ILE  80           HB       ILE  80  -9.494   0.154  10.114
  757   HG12  ILE  80          HG12      ILE  80 -10.560  -2.326   8.702
  758   HG13  ILE  80          HG13      ILE  80 -10.006  -2.200  10.376
  759   HG21  ILE  80          HG21      ILE  80 -11.287   0.834   8.579
  760   HG22  ILE  80          HG22      ILE  80  -9.746   1.337   7.928
  761   HG23  ILE  80          HG23      ILE  80 -10.552  -0.101   7.262
  762   HD11  ILE  80          HD11      ILE  80 -12.527  -0.981   9.222
  763   HD12  ILE  80          HD12      ILE  80 -12.375  -2.256  10.437
  764   HD13  ILE  80          HD13      ILE  80 -11.886  -0.599  10.840
  765    H    VAL  81           H        VAL  81  -7.725   0.469   6.554
  766    HA   VAL  81           HA       VAL  81  -5.797   2.380   7.824
  767    HB   VAL  81           HB       VAL  81  -5.716   1.216   5.033
  768   HG11  VAL  81          HG11      VAL  81  -3.802   3.114   6.448
  769   HG12  VAL  81          HG12      VAL  81  -3.519   2.367   4.863
  770   HG13  VAL  81          HG13      VAL  81  -4.834   3.526   5.058
  771   HG21  VAL  81          HG21      VAL  81  -3.853   0.769   7.405
  772   HG22  VAL  81          HG22      VAL  81  -4.969  -0.425   6.711
  773   HG23  VAL  81          HG23      VAL  81  -3.611   0.158   5.752
  774    H    TYR  82           H        TYR  82  -6.287   4.420   7.712
  775    HA   TYR  82           HA       TYR  82  -8.453   5.373   5.959
  776    HB2  TYR  82           HB2      TYR  82  -7.497   6.351   8.616
  777    HB3  TYR  82           HB3      TYR  82  -8.436   7.368   7.531
  778    HD1  TYR  82           HD1      TYR  82  -8.510   4.104   9.348
  779    HD2  TYR  82           HD2      TYR  82 -10.787   7.114   7.256
  780    HE1  TYR  82           HE1      TYR  82 -10.630   3.002  10.060
  781    HE2  TYR  82           HE2      TYR  82 -12.902   6.015   7.976
  782    HH   TYR  82           HH       TYR  82 -13.849   4.286   9.147
  783    H    CYS  83           H        CYS  83  -6.996   5.157   4.187
  784    HA   CYS  83           HA       CYS  83  -4.648   6.745   3.947
  785    HB2  CYS  83           HB2      CYS  83  -4.743   5.895   1.582
  786    HB3  CYS  83           HB3      CYS  83  -4.832   4.646   2.830
  787    HG   CYS  83           HG       CYS  83  -6.407   4.120   0.723
  788    H    SER  84           H        SER  84  -7.794   7.909   3.663
  789    HA   SER  84           HA       SER  84  -8.007   9.536   1.509
  790    HB2  SER  84           HB2      SER  84  -9.701   9.366   3.276
  791    HB3  SER  84           HB3      SER  84  -8.681  10.311   4.370
  792    HG   SER  84           HG       SER  84 -10.325  11.537   3.252
  793    H    ASN  85           H        ASN  85  -7.102  11.211   0.619
  794    HA   ASN  85           HA       ASN  85  -5.793  12.911   0.035
  795    HB2  ASN  85           HB2      ASN  85  -6.521  13.756   2.850
  796    HB3  ASN  85           HB3      ASN  85  -5.584  14.779   1.771
  797   HD21  ASN  85          HD21      ASN  85  -8.763  13.075   2.006
  798   HD22  ASN  85          HD22      ASN  85  -9.555  14.232   0.945
  799    H    ASP  86           H        ASP  86  -4.407  11.142   2.696
  800    HA   ASP  86           HA       ASP  86  -1.740  12.234   2.282
  801    HB2  ASP  86           HB2      ASP  86  -2.862  10.133   4.108
  802    HB3  ASP  86           HB3      ASP  86  -1.122  10.299   3.879
  803    H    LEU  87           H        LEU  87  -2.198  11.791  -0.071
  804    HA   LEU  87           HA       LEU  87  -1.622  10.927  -2.047
  805    HB2  LEU  87           HB2      LEU  87   0.597  11.225  -1.238
  806    HB3  LEU  87           HB3      LEU  87   0.571   9.684  -0.388
  807    HG   LEU  87           HG       LEU  87   0.576   8.438  -2.484
  808   HD11  LEU  87          HD11      LEU  87   0.980   9.568  -4.627
  809   HD12  LEU  87          HD12      LEU  87   0.709  11.153  -3.861
  810   HD13  LEU  87          HD13      LEU  87  -0.615   9.970  -3.991
  811   HD21  LEU  87          HD21      LEU  87   2.727   9.101  -1.485
  812   HD22  LEU  87          HD22      LEU  87   2.690  10.634  -2.389
  813   HD23  LEU  87          HD23      LEU  87   2.840   9.096  -3.258
  814    H    LEU  88           H        LEU  88  -1.576   8.205   0.238
  815    HA   LEU  88           HA       LEU  88  -1.929   6.162  -1.661
  816    HB2  LEU  88           HB2      LEU  88  -0.952   5.943   0.575
  817    HB3  LEU  88           HB3      LEU  88  -2.502   6.317   1.321
  818    HG   LEU  88           HG       LEU  88  -3.464   4.230   0.395
  819   HD11  LEU  88          HD11      LEU  88  -2.186   3.898  -1.635
  820   HD12  LEU  88          HD12      LEU  88  -1.822   2.547  -0.586
  821   HD13  LEU  88          HD13      LEU  88  -0.656   3.869  -0.735
  822   HD21  LEU  88          HD21      LEU  88  -2.215   2.695   1.833
  823   HD22  LEU  88          HD22      LEU  88  -2.423   4.273   2.612
  824   HD23  LEU  88          HD23      LEU  88  -0.856   3.844   1.897
  825    H    GLY  89           H        GLY  89  -4.435   8.039   0.042
  826    HA2  GLY  89           HA2      GLY  89  -6.707   6.514  -0.693
  827    HA3  GLY  89           HA3      GLY  89  -6.686   8.263  -0.442
  828    H    ASP  90           H        ASP  90  -4.804   8.799  -2.670
  829    HA   ASP  90           HA       ASP  90  -6.665   8.682  -4.923
  830    HB2  ASP  90           HB2      ASP  90  -3.915   9.891  -4.614
  831    HB3  ASP  90           HB3      ASP  90  -4.759   9.810  -6.151
  832    H    LEU  91           H        LEU  91  -3.962   6.750  -3.906
  833    HA   LEU  91           HA       LEU  91  -3.675   5.308  -6.444
  834    HB2  LEU  91           HB2      LEU  91  -2.762   4.827  -3.591
  835    HB3  LEU  91           HB3      LEU  91  -2.530   3.621  -4.835
  836    HG   LEU  91           HG       LEU  91  -1.377   6.436  -5.025
  837   HD11  LEU  91          HD11      LEU  91   0.744   5.309  -4.421
  838   HD12  LEU  91          HD12      LEU  91  -0.218   3.872  -3.957
  839   HD13  LEU  91          HD13      LEU  91  -0.450   5.414  -3.126
  840   HD21  LEU  91          HD21      LEU  91  -1.659   5.228  -7.203
  841   HD22  LEU  91          HD22      LEU  91  -0.778   3.846  -6.525
  842   HD23  LEU  91          HD23      LEU  91   0.030   5.415  -6.752
  843    H    PHE  92           H        PHE  92  -5.147   4.457  -3.249
  844    HA   PHE  92           HA       PHE  92  -6.421   2.138  -4.394
  845    HB2  PHE  92           HB2      PHE  92  -6.613   3.376  -1.667
  846    HB3  PHE  92           HB3      PHE  92  -7.631   2.038  -2.164
  847    HD1  PHE  92           HD2      PHE  92  -6.294   0.044  -3.410
  848    HD2  PHE  92           HD1      PHE  92  -4.768   2.658  -0.379
  849    HE1  PHE  92           HE2      PHE  92  -4.591  -1.679  -2.801
  850    HE2  PHE  92           HE1      PHE  92  -3.105   0.923   0.275
  851    HZ   PHE  92           HZ       PHE  92  -2.981  -1.212  -0.957
  852    H    GLY  93           H        GLY  93  -7.501   5.390  -4.329
  853    HA2  GLY  93           HA2      GLY  93  -9.306   6.315  -5.423
  854    HA3  GLY  93           HA3      GLY  93  -9.859   4.708  -5.905
  855    H    VAL  94           H        VAL  94  -9.266   5.445  -2.520
  856    HA   VAL  94           HA       VAL  94 -12.129   5.780  -1.838
  857    HB   VAL  94           HB       VAL  94 -11.864   3.946  -0.084
  858   HG11  VAL  94          HG11      VAL  94 -13.285   3.668  -2.060
  859   HG12  VAL  94          HG12      VAL  94 -11.904   2.985  -2.959
  860   HG13  VAL  94          HG13      VAL  94 -12.546   2.141  -1.537
  861   HG21  VAL  94          HG21      VAL  94  -9.399   3.586  -0.253
  862   HG22  VAL  94          HG22      VAL  94 -10.337   2.102  -0.485
  863   HG23  VAL  94          HG23      VAL  94  -9.648   2.923  -1.887
  864    HA   PRO  95           HA       PRO  95 -10.185   8.088   1.497
  865    HB2  PRO  95           HB2      PRO  95 -12.142   8.123   3.406
  866    HB3  PRO  95           HB3      PRO  95 -12.288   9.012   1.859
  867    HG2  PRO  95           HG2      PRO  95 -13.404   6.260   2.525
  868    HG3  PRO  95           HG3      PRO  95 -14.272   7.660   1.813
  869    HD2  PRO  95           HD2      PRO  95 -13.264   5.676   0.273
  870    HD3  PRO  95           HD3      PRO  95 -13.201   7.375  -0.270
  871    H    SER  96           H        SER  96 -11.391   4.819   2.042
  872    HA   SER  96           HA       SER  96  -9.159   4.162   3.765
  873    HB2  SER  96           HB2      SER  96 -10.518   3.362   5.662
  874    HB3  SER  96           HB3      SER  96 -10.720   5.103   5.420
  875    HG   SER  96           HG       SER  96 -12.724   4.051   5.762
  876    H    PHE  97           H        PHE  97  -9.019   1.841   4.231
  877    HA   PHE  97           HA       PHE  97 -10.871   0.016   2.824
  878    HB2  PHE  97           HB2      PHE  97  -9.222  -0.977   1.411
  879    HB3  PHE  97           HB3      PHE  97  -9.155   0.742   1.096
  880    HD1  PHE  97           HD1      PHE  97  -7.170   2.074   1.789
  881    HD2  PHE  97           HD2      PHE  97  -7.409  -2.157   2.518
  882    HE1  PHE  97           HE1      PHE  97  -4.729   2.024   2.286
  883    HE2  PHE  97           HE2      PHE  97  -4.988  -2.193   3.067
  884    HZ   PHE  97           HZ       PHE  97  -3.637  -0.146   2.905
  885    H    SER  98           H        SER  98 -10.347  -2.256   3.349
  886    HA   SER  98           HA       SER  98  -9.324  -2.512   6.128
  887    HB2  SER  98           HB2      SER  98 -10.854  -4.455   6.220
  888    HB3  SER  98           HB3      SER  98 -11.667  -2.917   5.890
  889    HG   SER  98           HG       SER  98 -10.881  -4.821   3.925
  890    H    VAL  99           H        VAL  99  -7.400  -3.405   6.377
  891    HA   VAL  99           HA       VAL  99  -6.118  -5.240   4.558
  892    HB   VAL  99           HB       VAL  99  -5.279  -5.081   7.417
  893   HG11  VAL  99          HG11      VAL  99  -3.033  -5.235   6.413
  894   HG12  VAL  99          HG12      VAL  99  -4.043  -6.561   5.834
  895   HG13  VAL  99          HG13      VAL  99  -3.734  -5.161   4.785
  896   HG21  VAL  99          HG21      VAL  99  -3.900  -3.095   6.935
  897   HG22  VAL  99          HG22      VAL  99  -4.710  -2.903   5.366
  898   HG23  VAL  99          HG23      VAL  99  -5.616  -2.713   6.890
  899    H    LYS 100           H        LYS 100  -8.391  -5.674   7.074
  900    HA   LYS 100           HA       LYS 100  -8.265  -8.468   7.570
  901    HB2  LYS 100           HB2      LYS 100  -9.653  -6.810   8.771
  902    HB3  LYS 100           HB3      LYS 100 -10.616  -6.539   7.329
  903    HG2  LYS 100           HG2      LYS 100 -11.881  -7.860   8.854
  904    HG3  LYS 100           HG3      LYS 100 -11.503  -8.842   7.453
  905    HD2  LYS 100           HD2      LYS 100 -11.322 -10.145   9.490
  906    HD3  LYS 100           HD3      LYS 100  -9.723 -10.008   8.749
  907    HE2  LYS 100           HE2      LYS 100  -9.047  -8.312  10.357
  908    HE3  LYS 100           HE3      LYS 100 -10.689  -8.163  10.986
  909    HZ1  LYS 100           HZ1      LYS 100 -10.541 -10.331  11.941
  910    HZ2  LYS 100           HZ2      LYS 100  -9.143  -9.574  12.347
  911    HZ3  LYS 100           HZ3      LYS 100  -9.147 -10.692  11.169
  912    H    GLU 101           H        GLU 101  -9.322  -6.802   4.652
  913    HA   GLU 101           HA       GLU 101 -10.338  -9.373   3.494
  914    HB2  GLU 101           HB2      GLU 101 -11.114  -6.533   2.756
  915    HB3  GLU 101           HB3      GLU 101 -11.626  -8.021   1.942
  916    HG2  GLU 101           HG2      GLU 101 -12.559  -8.806   4.178
  917    HG3  GLU 101           HG3      GLU 101 -12.280  -7.170   4.788
  918    H    HIS 102           H        HIS 102  -8.000  -9.811   3.233
  919    HA   HIS 102           HA       HIS 102  -6.209  -8.526   1.600
  920    HB2  HIS 102           HB2      HIS 102  -6.703 -11.526   1.685
  921    HB3  HIS 102           HB3      HIS 102  -5.189 -10.740   1.270
  922    HD1  HIS 102           HD1      HIS 102  -4.261  -9.080   3.501
  923    HD2  HIS 102           HD2      HIS 102  -6.854 -12.318   4.176
  924    HE1  HIS 102           HE1      HIS 102  -4.018  -9.687   5.953
  925    H    ARG 103           H        ARG 103  -8.784 -10.693   0.460
  926    HA   ARG 103           HA       ARG 103  -8.301 -10.820  -2.296
  927    HB2  ARG 103           HB2      ARG 103 -10.678 -11.360  -2.506
  928    HB3  ARG 103           HB3      ARG 103  -9.963 -12.140  -1.114
  929    HG2  ARG 103           HG2      ARG 103 -11.903 -11.481  -0.138
  930    HG3  ARG 103           HG3      ARG 103 -10.969 -10.035   0.213
  931    HD2  ARG 103           HD2      ARG 103 -11.983  -9.028  -1.933
  932    HD3  ARG 103           HD3      ARG 103 -12.993 -10.457  -2.024
  933    HE   ARG 103           HE       ARG 103 -13.019  -8.425   0.207
  934   HH11  ARG 103          HH11      ARG 103 -14.862 -10.757  -1.664
  935   HH12  ARG 103          HH12      ARG 103 -16.362 -10.244  -0.946
  936   HH21  ARG 103          HH21      ARG 103 -14.910  -7.870   1.093
  937   HH22  ARG 103          HH22      ARG 103 -16.389  -8.657   0.583
  938    H    LYS 104           H        LYS 104  -9.663  -8.107  -0.536
  939    HA   LYS 104           HA       LYS 104 -10.583  -6.690  -2.959
  940    HB2  LYS 104           HB2      LYS 104 -11.797  -6.699  -0.781
  941    HB3  LYS 104           HB3      LYS 104 -10.435  -5.866  -0.027
  942    HG2  LYS 104           HG2      LYS 104 -10.843  -3.864  -1.347
  943    HG3  LYS 104           HG3      LYS 104 -12.012  -4.724  -2.366
  944    HD2  LYS 104           HD2      LYS 104 -13.240  -3.359  -0.774
  945    HD3  LYS 104           HD3      LYS 104 -13.483  -5.068  -0.397
  946    HE2  LYS 104           HE2      LYS 104 -11.482  -4.737   1.280
  947    HE3  LYS 104           HE3      LYS 104 -11.791  -3.012   1.071
  948    HZ1  LYS 104           HZ1      LYS 104 -13.737  -5.057   2.010
  949    HZ2  LYS 104           HZ2      LYS 104 -14.091  -3.451   1.844
  950    HZ3  LYS 104           HZ3      LYS 104 -12.991  -3.960   2.963
  951    H    ILE 105           H        ILE 105  -7.854  -6.532  -0.694
  952    HA   ILE 105           HA       ILE 105  -6.660  -4.169  -1.892
  953    HB   ILE 105           HB       ILE 105  -5.518  -6.346  -0.113
  954   HG12  ILE 105          HG12      ILE 105  -6.226  -3.415   0.418
  955   HG13  ILE 105          HG13      ILE 105  -7.287  -4.769   0.804
  956   HG21  ILE 105          HG21      ILE 105  -4.194  -3.749  -1.041
  957   HG22  ILE 105          HG22      ILE 105  -3.554  -4.833   0.206
  958   HG23  ILE 105          HG23      ILE 105  -3.659  -5.399  -1.447
  959   HD11  ILE 105          HD11      ILE 105  -6.180  -4.104   2.787
  960   HD12  ILE 105          HD12      ILE 105  -5.567  -5.701   2.330
  961   HD13  ILE 105          HD13      ILE 105  -4.578  -4.234   2.062
  962    H    TYR 106           H        TYR 106  -6.110  -7.718  -2.414
  963    HA   TYR 106           HA       TYR 106  -3.984  -7.461  -4.179
  964    HB2  TYR 106           HB2      TYR 106  -6.216  -9.506  -4.296
  965    HB3  TYR 106           HB3      TYR 106  -4.695  -9.635  -5.161
  966    HD1  TYR 106           HD1      TYR 106  -2.674  -8.832  -3.059
  967    HD2  TYR 106           HD2      TYR 106  -6.187 -11.338  -2.876
  968    HE1  TYR 106           HE1      TYR 106  -1.686 -10.083  -1.159
  969    HE2  TYR 106           HE2      TYR 106  -5.187 -12.590  -0.980
  970    HH   TYR 106           HH       TYR 106  -1.899 -11.923   0.213
  971    H    THR 107           H        THR 107  -7.419  -7.369  -5.167
  972    HA   THR 107           HA       THR 107  -6.817  -7.016  -7.939
  973    HB   THR 107           HB       THR 107  -8.989  -7.842  -6.885
  974    HG1  THR 107           HG1      THR 107 -10.047  -7.230  -8.757
  975   HG21  THR 107          HG21      THR 107  -9.705  -4.882  -7.094
  976   HG22  THR 107          HG22      THR 107  -9.518  -5.784  -5.573
  977   HG23  THR 107          HG23      THR 107 -10.794  -6.233  -6.711
  978    H    MET 108           H        MET 108  -7.224  -4.605  -5.389
  979    HA   MET 108           HA       MET 108  -7.096  -2.341  -7.213
  980    HB2  MET 108           HB2      MET 108  -6.630  -2.490  -4.217
  981    HB3  MET 108           HB3      MET 108  -6.705  -1.019  -5.212
  982    HG2  MET 108           HG2      MET 108  -9.005  -1.690  -5.941
  983    HG3  MET 108           HG3      MET 108  -8.973  -2.983  -4.750
  984    HE1  MET 108           HE1      MET 108  -8.939  -0.922  -1.347
  985    HE2  MET 108           HE2      MET 108  -9.073  -2.547  -2.062
  986    HE3  MET 108           HE3      MET 108  -7.551  -1.644  -2.191
  987    H    MET 109           H        MET 109  -4.652  -4.136  -5.287
  988    HA   MET 109           HA       MET 109  -2.407  -2.462  -5.959
  989    HB2  MET 109           HB2      MET 109  -2.602  -5.405  -5.195
  990    HB3  MET 109           HB3      MET 109  -1.075  -4.553  -5.409
  991    HG2  MET 109           HG2      MET 109  -3.233  -3.779  -3.413
  992    HG3  MET 109           HG3      MET 109  -1.801  -4.725  -3.035
  993    HE1  MET 109           HE1      MET 109   0.595  -3.862  -2.936
  994    HE2  MET 109           HE2      MET 109   0.629  -3.151  -4.566
  995    HE3  MET 109           HE3      MET 109   1.081  -2.172  -3.155
  996    H    ALA 110           H        ALA 110  -3.809  -5.342  -7.580
  997    HA   ALA 110           HA       ALA 110  -1.920  -5.485  -9.719
  998    HB1  ALA 110           HB1      ALA 110  -3.483  -7.284  -9.085
  999    HB2  ALA 110           HB2      ALA 110  -4.863  -6.279  -9.578
 1000    HB3  ALA 110           HB3      ALA 110  -3.691  -6.840 -10.793
 1001    H    SER 111           H        SER 111  -4.725  -3.371  -9.242
 1002    HA   SER 111           HA       SER 111  -4.817  -2.378 -11.973
 1003    HB2  SER 111           HB2      SER 111  -6.014  -1.262  -9.408
 1004    HB3  SER 111           HB3      SER 111  -6.326  -0.659 -11.039
 1005    HG   SER 111           HG       SER 111  -6.923  -3.254 -10.018
 1006    H    MET 112           H        MET 112  -2.695  -1.615  -9.315
 1007    HA   MET 112           HA       MET 112  -2.167   1.118 -10.172
 1008    HB2  MET 112           HB2      MET 112  -0.675  -0.630  -8.187
 1009    HB3  MET 112           HB3      MET 112  -0.392   1.095  -8.471
 1010    HG2  MET 112           HG2      MET 112  -2.708   1.615  -7.797
 1011    HG3  MET 112           HG3      MET 112  -2.989  -0.097  -7.489
 1012    HE1  MET 112           HE1      MET 112  -3.078   1.042  -3.870
 1013    HE2  MET 112           HE2      MET 112  -3.902   1.566  -5.357
 1014    HE3  MET 112           HE3      MET 112  -3.672  -0.166  -5.036
 1015    H    THR 113           H        THR 113  -1.258  -1.705 -11.613
 1016    HA   THR 113           HA       THR 113   1.283  -0.592 -12.659
 1017    HB   THR 113           HB       THR 113   2.301  -2.634 -12.756
 1018    HG1  THR 113           HG1      THR 113   1.218  -4.575 -12.536
 1019   HG21  THR 113          HG21      THR 113   0.589  -2.805 -10.222
 1020   HG22  THR 113          HG22      THR 113   2.153  -1.964 -10.385
 1021   HG23  THR 113          HG23      THR 113   2.052  -3.722 -10.545
 1022    H    GLY 114           H        GLY 114  -1.622  -0.496 -13.708
 1023    HA2  GLY 114           HA2      GLY 114  -0.874  -0.595 -16.553
 1024    HA3  GLY 114           HA3      GLY 114  -2.131  -1.730 -16.061
 1025    H    GLY 115           H        GLY 115  -3.422  -0.525 -17.637
 1026    HA2  GLY 115           HA2      GLY 115  -5.248   0.856 -18.059
 1027    HA3  GLY 115           HA3      GLY 115  -5.078   1.569 -16.459
 1028    H    GLN 116           H        GLN 116  -5.658   3.542 -17.678
 1029    HA   GLN 116           HA       GLN 116  -3.271   5.072 -18.427
 1030    HB2  GLN 116           HB2      GLN 116  -4.180   5.881 -20.544
 1031    HB3  GLN 116           HB3      GLN 116  -3.896   4.143 -20.584
 1032    HG2  GLN 116           HG2      GLN 116  -6.332   3.731 -20.265
 1033    HG3  GLN 116           HG3      GLN 116  -6.621   5.473 -20.193
 1034   HE21  GLN 116          HE21      GLN 116  -5.207   2.949 -22.388
 1035   HE22  GLN 116          HE22      GLN 116  -5.645   3.817 -23.853
 1036    H    GLN 117           H        GLN 117  -3.494   7.295 -18.277
 1037    HA   GLN 117           HA       GLN 117  -5.504   8.274 -16.425
 1038    HB2  GLN 117           HB2      GLN 117  -3.306   9.754 -17.944
 1039    HB3  GLN 117           HB3      GLN 117  -4.295  10.405 -16.647
 1040    HG2  GLN 117           HG2      GLN 117  -2.320   9.863 -15.562
 1041    HG3  GLN 117           HG3      GLN 117  -3.394   8.539 -15.141
 1042   HE21  GLN 117          HE21      GLN 117  -1.090   7.672 -14.586
 1043   HE22  GLN 117          HE22      GLN 117  -0.284   6.806 -15.891
 1044    H    MET 118           H        MET 118  -6.960  10.014 -16.747
 1045    HA   MET 118           HA       MET 118  -8.280  10.111 -19.342
 1046    HB2  MET 118           HB2      MET 118  -9.896  11.534 -18.248
 1047    HB3  MET 118           HB3      MET 118  -9.543  10.124 -17.254
 1048    HG2  MET 118           HG2      MET 118  -8.102  11.495 -15.785
 1049    HG3  MET 118           HG3      MET 118  -8.343  12.892 -16.833
 1050    HE1  MET 118           HE1      MET 118 -11.022  10.205 -15.455
 1051    HE2  MET 118           HE2      MET 118  -9.872  10.525 -14.135
 1052    HE3  MET 118           HE3      MET 118 -11.553  11.088 -14.010
 1053    H    GLY 119           H        GLY 119  -5.635  11.853 -18.121
 1054    HA2  GLY 119           HA2      GLY 119  -4.364  13.564 -19.058
 1055    HA3  GLY 119           HA3      GLY 119  -5.538  13.721 -20.364
  Start of MODEL   13
    1    H1   MET -11           H1       MET -11  -2.691  -6.509  23.374
    2    H2   MET -11           H2       MET -11  -1.300  -6.451  22.511
    3    H3   MET -11           H3       MET -11  -2.391  -7.635  22.226
    4    HA   MET -11           HA       MET -11  -4.002  -6.069  21.408
    5    HB2  MET -11           HB2      MET -11  -3.243  -4.188  22.859
    6    HB3  MET -11           HB3      MET -11  -1.807  -4.001  21.847
    7    HG2  MET -11           HG2      MET -11  -3.310  -3.506  19.894
    8    HG3  MET -11           HG3      MET -11  -4.698  -3.627  20.981
    9    HE1  MET -11           HE1      MET -11  -4.566   0.198  20.198
   10    HE2  MET -11           HE2      MET -11  -4.178  -1.132  19.087
   11    HE3  MET -11           HE3      MET -11  -5.560  -1.273  20.197
   12    HA   PRO -10           HA       PRO -10  -1.936  -7.258  17.617
   13    HB2  PRO -10           HB2      PRO -10  -3.809  -6.516  15.762
   14    HB3  PRO -10           HB3      PRO -10  -4.031  -7.900  16.876
   15    HG2  PRO -10           HG2      PRO -10  -5.041  -5.054  17.231
   16    HG3  PRO -10           HG3      PRO -10  -5.982  -6.580  17.344
   17    HD2  PRO -10           HD2      PRO -10  -5.015  -5.378  19.555
   18    HD3  PRO -10           HD3      PRO -10  -4.964  -7.158  19.404
   19    H    ARG  -9           H        ARG  -9  -1.182  -6.337  15.562
   20    HA   ARG  -9           HA       ARG  -9  -1.001  -3.356  15.425
   21    HB2  ARG  -9           HB2      ARG  -9   1.319  -5.325  15.213
   22    HB3  ARG  -9           HB3      ARG  -9   1.430  -3.640  14.725
   23    HG2  ARG  -9           HG2      ARG  -9   0.779  -4.554  17.562
   24    HG3  ARG  -9           HG3      ARG  -9   2.383  -4.106  16.983
   25    HD2  ARG  -9           HD2      ARG  -9   1.665  -1.840  16.492
   26    HD3  ARG  -9           HD3      ARG  -9  -0.003  -2.222  16.878
   27    HE   ARG  -9           HE       ARG  -9   2.243  -1.905  18.793
   28   HH11  ARG  -9          HH11      ARG  -9  -1.205  -2.491  18.422
   29   HH12  ARG  -9          HH12      ARG  -9  -1.564  -1.786  19.981
   30   HH21  ARG  -9          HH21      ARG  -9   1.709  -1.193  20.823
   31   HH22  ARG  -9          HH22      ARG  -9   0.048  -1.169  21.333
   32    H    PHE  -8           H        PHE  -8  -0.645  -2.434  13.432
   33    HA   PHE  -8           HA       PHE  -8  -2.012  -3.508  11.266
   34    HB2  PHE  -8           HB2      PHE  -8  -1.814  -1.232  11.257
   35    HB3  PHE  -8           HB3      PHE  -8  -0.085  -1.259  11.579
   36    HD1  PHE  -8           HD1      PHE  -8  -2.643  -1.599   8.925
   37    HD2  PHE  -8           HD2      PHE  -8   1.573  -1.530   9.825
   38    HE1  PHE  -8           HE1      PHE  -8  -2.111  -1.435   6.498
   39    HE2  PHE  -8           HE2      PHE  -8   2.091  -1.393   7.400
   40    HZ   PHE  -8           HZ       PHE  -8   0.247  -1.343   5.742
   41    H    TRP  -7           H        TRP  -7   1.523  -3.647  11.637
   42    HA   TRP  -7           HA       TRP  -7   1.971  -4.724   9.052
   43    HB2  TRP  -7           HB2      TRP  -7   3.669  -3.570  10.308
   44    HB3  TRP  -7           HB3      TRP  -7   3.681  -4.825  11.542
   45    HD1  TRP  -7           HD1      TRP  -7   5.055  -6.984  11.084
   46    HE1  TRP  -7           HE1      TRP  -7   6.634  -7.797   9.231
   47    HE3  TRP  -7           HE3      TRP  -7   4.032  -3.431   7.544
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.306  -7.049   6.526
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.151  -3.526   5.318
   50    HH2  TRP  -7           HH2      TRP  -7   6.778  -5.313   4.806
   51    H    GLU  -6           H        GLU  -6   1.039  -6.396  12.009
   52    HA   GLU  -6           HA       GLU  -6   1.741  -9.075  11.214
   53    HB2  GLU  -6           HB2      GLU  -6  -0.579  -8.072  12.923
   54    HB3  GLU  -6           HB3      GLU  -6   0.002  -9.734  12.876
   55    HG2  GLU  -6           HG2      GLU  -6   2.108  -9.138  13.888
   56    HG3  GLU  -6           HG3      GLU  -6   1.763  -7.413  13.769
   57    H    TYR  -5           H        TYR  -5  -1.124  -7.043  10.598
   58    HA   TYR  -5           HA       TYR  -5  -2.449  -9.039   8.945
   59    HB2  TYR  -5           HB2      TYR  -5  -3.051  -6.175   9.614
   60    HB3  TYR  -5           HB3      TYR  -5  -3.847  -6.978   8.274
   61    HD1  TYR  -5           HD2      TYR  -5  -5.387  -8.811   8.550
   62    HD2  TYR  -5           HD1      TYR  -5  -3.504  -6.945  11.958
   63    HE1  TYR  -5           HE2      TYR  -5  -7.041  -9.888  10.056
   64    HE2  TYR  -5           HE1      TYR  -5  -5.178  -8.012  13.464
   65    HH   TYR  -5           HH       TYR  -5  -6.991  -9.423  13.607
   66    H    TRP  -4           H        TRP  -4  -0.476  -6.185   8.244
   67    HA   TRP  -4           HA       TRP  -4  -0.809  -6.283   5.404
   68    HB2  TRP  -4           HB2      TRP  -4   0.033  -4.376   6.883
   69    HB3  TRP  -4           HB3      TRP  -4   1.589  -5.210   6.935
   70    HD1  TRP  -4           HD1      TRP  -4   3.021  -5.259   4.703
   71    HE1  TRP  -4           HE1      TRP  -4   2.870  -4.031   2.451
   72    HE3  TRP  -4           HE3      TRP  -4  -1.702  -3.365   5.126
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.857  -2.651   0.921
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.755  -2.181   3.219
   75    HH2  TRP  -4           HH2      TRP  -4  -1.501  -1.810   1.123
   76    H    LEU  -3           H        LEU  -3   1.613  -7.864   7.528
   77    HA   LEU  -3           HA       LEU  -3   3.288  -8.948   5.540
   78    HB2  LEU  -3           HB2      LEU  -3   3.662  -8.873   8.026
   79    HB3  LEU  -3           HB3      LEU  -3   2.433 -10.122   8.218
   80    HG   LEU  -3           HG       LEU  -3   3.924 -11.646   6.786
   81   HD11  LEU  -3          HD11      LEU  -3   6.317 -10.975   6.660
   82   HD12  LEU  -3          HD12      LEU  -3   5.895  -9.380   7.330
   83   HD13  LEU  -3          HD13      LEU  -3   5.300  -9.866   5.727
   84   HD21  LEU  -3          HD21      LEU  -3   5.470 -12.112   8.647
   85   HD22  LEU  -3          HD22      LEU  -3   3.829 -11.813   9.240
   86   HD23  LEU  -3          HD23      LEU  -3   5.068 -10.545   9.389
   87    H    ARG  -2           H        ARG  -2   0.072 -10.032   6.604
   88    HA   ARG  -2           HA       ARG  -2   0.247 -12.620   5.330
   89    HB2  ARG  -2           HB2      ARG  -2  -1.120 -12.019   7.367
   90    HB3  ARG  -2           HB3      ARG  -2  -2.204 -11.121   6.317
   91    HG2  ARG  -2           HG2      ARG  -2  -3.091 -13.316   6.867
   92    HG3  ARG  -2           HG3      ARG  -2  -2.800 -13.201   5.125
   93    HD2  ARG  -2           HD2      ARG  -2  -0.771 -14.505   5.306
   94    HD3  ARG  -2           HD3      ARG  -2  -0.821 -14.456   7.079
   95    HE   ARG  -2           HE       ARG  -2  -3.189 -15.706   6.404
   96   HH11  ARG  -2          HH11      ARG  -2   0.199 -16.410   5.714
   97   HH12  ARG  -2          HH12      ARG  -2  -0.138 -18.109   5.478
   98   HH21  ARG  -2          HH21      ARG  -2  -3.485 -17.850   6.264
   99   HH22  ARG  -2          HH22      ARG  -2  -2.172 -18.913   5.780
  100    H    LEU  -1           H        LEU  -1  -0.435  -9.457   4.108
  101    HA   LEU  -1           HA       LEU  -1  -1.850 -10.260   1.704
  102    HB2  LEU  -1           HB2      LEU  -1  -0.047  -7.890   2.309
  103    HB3  LEU  -1           HB3      LEU  -1  -0.825  -8.115   0.764
  104    HG   LEU  -1           HG       LEU  -1  -2.421  -7.909   3.341
  105   HD11  LEU  -1          HD11      LEU  -1  -1.652  -5.756   1.325
  106   HD12  LEU  -1          HD12      LEU  -1  -1.059  -5.884   2.988
  107   HD13  LEU  -1          HD13      LEU  -1  -2.775  -5.552   2.689
  108   HD21  LEU  -1          HD21      LEU  -1  -3.155  -7.458   0.405
  109   HD22  LEU  -1          HD22      LEU  -1  -4.245  -7.334   1.797
  110   HD23  LEU  -1          HD23      LEU  -1  -3.568  -8.907   1.324
  111    H    MET   0           H        MET   0   1.669  -9.570   2.311
  112    HA   MET   0           HA       MET   0   2.343 -10.282  -0.367
  113    HB2  MET   0           HB2      MET   0   4.638 -10.077   0.264
  114    HB3  MET   0           HB3      MET   0   3.707  -8.764   0.978
  115    HG2  MET   0           HG2      MET   0   3.788  -9.839   3.167
  116    HG3  MET   0           HG3      MET   0   4.538 -11.283   2.478
  117    HE1  MET   0           HE1      MET   0   5.332  -7.371   1.975
  118    HE2  MET   0           HE2      MET   0   4.916  -7.678   3.684
  119    HE3  MET   0           HE3      MET   0   6.575  -7.222   3.235
  120    H    GLU   1           H        GLU   1   2.014 -12.308   2.462
  121    HA   GLU   1           HA       GLU   1   3.291 -14.679   1.432
  122    HB2  GLU   1           HB2      GLU   1   1.073 -14.231   3.459
  123    HB3  GLU   1           HB3      GLU   1   1.740 -15.828   3.083
  124    HG2  GLU   1           HG2      GLU   1   3.990 -15.092   3.734
  125    HG3  GLU   1           HG3      GLU   1   3.383 -13.482   4.117
  126    H    GLY   2           H        GLY   2   0.104 -13.288   0.766
  127    HA2  GLY   2           HA2      GLY   2  -0.700 -15.702  -0.822
  128    HA3  GLY   2           HA3      GLY   2  -1.772 -14.460  -0.192
  129    H    GLY   3           H        GLY   3   0.362 -12.425  -1.245
  130    HA2  GLY   3           HA2      GLY   3  -1.051 -11.742  -3.632
  131    HA3  GLY   3           HA3      GLY   3   0.350 -10.919  -2.962
  132    H    GLY   4           H        GLY   4   0.344 -10.749  -5.487
  133    HA2  GLY   4           HA2      GLY   4   1.786 -10.999  -7.289
  134    HA3  GLY   4           HA3      GLY   4   2.563 -12.366  -6.497
  135    H    GLU   5           H        GLU   5  -0.700 -13.058  -6.471
  136    HA   GLU   5           HA       GLU   5  -1.047 -14.031  -9.207
  137    HB2  GLU   5           HB2      GLU   5   0.384 -15.752  -8.140
  138    HB3  GLU   5           HB3      GLU   5  -0.833 -15.994  -6.879
  139    HG2  GLU   5           HG2      GLU   5  -2.421 -16.865  -8.486
  140    HG3  GLU   5           HG3      GLU   5  -1.406 -16.368  -9.843
  141    H    ASN   6           H        ASN   6  -3.230 -14.807  -9.588
  142    HA   ASN   6           HA       ASN   6  -5.282 -13.358  -8.212
  143    HB2  ASN   6           HB2      ASN   6  -5.461 -15.686 -10.178
  144    HB3  ASN   6           HB3      ASN   6  -6.799 -14.642  -9.717
  145   HD21  ASN   6          HD22      ASN   6  -7.011 -12.601 -10.726
  146   HD22  ASN   6          HD21      ASN   6  -5.906 -12.089 -11.992
  147    H    LEU   7           H        LEU   7  -7.238 -14.278  -7.230
  148    HA   LEU   7           HA       LEU   7  -6.711 -15.965  -5.005
  149    HB2  LEU   7           HB2      LEU   7  -9.002 -14.490  -6.133
  150    HB3  LEU   7           HB3      LEU   7  -9.515 -16.031  -5.495
  151    HG   LEU   7           HG       LEU   7  -9.736 -14.241  -3.854
  152   HD11  LEU   7          HD11      LEU   7  -9.296 -16.595  -3.147
  153   HD12  LEU   7          HD12      LEU   7  -8.821 -15.370  -1.973
  154   HD13  LEU   7          HD13      LEU   7  -7.576 -16.178  -2.948
  155   HD21  LEU   7          HD21      LEU   7  -7.828 -12.824  -4.547
  156   HD22  LEU   7          HD22      LEU   7  -6.698 -14.016  -3.869
  157   HD23  LEU   7          HD23      LEU   7  -7.828 -13.162  -2.807
  158    H    TYR   8           H        TYR   8  -7.092 -18.054  -4.526
  159    HA   TYR   8           HA       TYR   8  -6.584 -19.848  -6.605
  160    HB2  TYR   8           HB2      TYR   8  -7.234 -20.298  -3.697
  161    HB3  TYR   8           HB3      TYR   8  -6.807 -21.601  -4.791
  162    HD1  TYR   8           HD1      TYR   8  -4.575 -21.433  -6.108
  163    HD2  TYR   8           HD2      TYR   8  -5.505 -19.061  -2.622
  164    HE1  TYR   8           HE1      TYR   8  -2.146 -20.983  -5.756
  165    HE2  TYR   8           HE2      TYR   8  -3.084 -18.615  -2.276
  166    HH   TYR   8           HH       TYR   8  -0.952 -18.975  -3.036
  167    H    PHE   9           H        PHE   9  -9.698 -19.299  -5.086
  168    HA   PHE   9           HA       PHE   9 -11.028 -20.629  -7.275
  169    HB2  PHE   9           HB2      PHE   9 -10.772 -22.618  -6.150
  170    HB3  PHE   9           HB3      PHE   9 -11.020 -21.891  -4.575
  171    HD1  PHE   9           HD2      PHE   9 -12.895 -22.558  -7.773
  172    HD2  PHE   9           HD1      PHE   9 -13.060 -22.230  -3.474
  173    HE1  PHE   9           HE2      PHE   9 -15.280 -23.243  -7.810
  174    HE2  PHE   9           HE1      PHE   9 -15.433 -22.955  -3.514
  175    HZ   PHE   9           HZ       PHE   9 -16.554 -23.438  -5.681
  176    H    GLN  10           H        GLN  10 -13.200 -20.151  -7.629
  177    HA   GLN  10           HA       GLN  10 -13.868 -17.485  -7.047
  178    HB2  GLN  10           HB2      GLN  10 -15.554 -19.798  -8.107
  179    HB3  GLN  10           HB3      GLN  10 -16.120 -18.138  -8.005
  180    HG2  GLN  10           HG2      GLN  10 -15.422 -18.362 -10.219
  181    HG3  GLN  10           HG3      GLN  10 -14.173 -17.409  -9.435
  182   HE21  GLN  10          HE21      GLN  10 -12.997 -18.120 -11.498
  183   HE22  GLN  10          HE22      GLN  10 -12.165 -19.669 -11.426
  184    H    GLY  11           H        GLY  11 -14.804 -20.362  -5.207
  185    HA2  GLY  11           HA2      GLY  11 -16.845 -19.019  -3.611
  186    HA3  GLY  11           HA3      GLY  11 -16.129 -20.599  -3.316
  187    H    MET  12           H        MET  12 -13.400 -18.842  -3.488
  188    HA   MET  12           HA       MET  12 -13.198 -18.542  -0.565
  189    HB2  MET  12           HB2      MET  12 -11.115 -18.238  -2.754
  190    HB3  MET  12           HB3      MET  12 -10.814 -18.092  -1.021
  191    HG2  MET  12           HG2      MET  12 -11.497 -20.402  -0.644
  192    HG3  MET  12           HG3      MET  12 -11.965 -20.572  -2.335
  193    HE1  MET  12           HE1      MET  12  -7.583 -20.362  -0.826
  194    HE2  MET  12           HE2      MET  12  -8.612 -18.919  -0.794
  195    HE3  MET  12           HE3      MET  12  -9.017 -20.327   0.221
  196    H    SER  13           H        SER  13 -14.916 -16.808  -0.688
  197    HA   SER  13           HA       SER  13 -14.243 -14.092  -1.397
  198    HB2  SER  13           HB2      SER  13 -16.028 -15.194   0.810
  199    HB3  SER  13           HB3      SER  13 -15.907 -13.487   0.355
  200    HG   SER  13           HG       SER  13 -17.667 -14.568  -0.694
  201    H    VAL  14           H        VAL  14 -12.255 -13.464  -0.809
  202    HA   VAL  14           HA       VAL  14 -10.474 -12.782   0.377
  203    HB   VAL  14           HB       VAL  14 -12.033 -13.195   2.934
  204   HG11  VAL  14          HG11      VAL  14  -9.568 -13.142   3.311
  205   HG12  VAL  14          HG12      VAL  14  -9.490 -11.584   2.450
  206   HG13  VAL  14          HG13      VAL  14 -10.390 -11.731   3.968
  207   HG21  VAL  14          HG21      VAL  14 -13.104 -11.499   1.516
  208   HG22  VAL  14          HG22      VAL  14 -12.304 -10.738   2.889
  209   HG23  VAL  14          HG23      VAL  14 -11.545 -10.678   1.282
  210    HA   PRO  15           HA       PRO  15  -8.747 -16.778   0.224
  211    HB2  PRO  15           HB2      PRO  15  -6.102 -16.343   0.971
  212    HB3  PRO  15           HB3      PRO  15  -6.800 -15.950  -0.623
  213    HG2  PRO  15           HG2      PRO  15  -6.453 -14.109   1.763
  214    HG3  PRO  15           HG3      PRO  15  -6.009 -13.805   0.052
  215    HD2  PRO  15           HD2      PRO  15  -8.317 -12.840   1.024
  216    HD3  PRO  15           HD3      PRO  15  -8.301 -13.595  -0.587
  217    H    THR  16           H        THR  16  -9.311 -18.335   1.568
  218    HA   THR  16           HA       THR  16  -9.220 -18.235   4.369
  219    HB   THR  16           HB       THR  16  -9.294 -20.902   3.050
  220    HG1  THR  16           HG1      THR  16 -11.426 -20.524   2.416
  221   HG21  THR  16          HG21      THR  16  -9.765 -20.704   5.474
  222   HG22  THR  16          HG22      THR  16 -11.197 -21.231   4.584
  223   HG23  THR  16          HG23      THR  16 -11.067 -19.543   5.128
  224    H    ASP  17           H        ASP  17  -7.962 -19.135   5.994
  225    HA   ASP  17           HA       ASP  17  -5.195 -19.524   5.491
  226    HB2  ASP  17           HB2      ASP  17  -6.926 -20.133   7.888
  227    HB3  ASP  17           HB3      ASP  17  -5.205 -20.496   7.862
  228    H    GLY  18           H        GLY  18  -7.705 -21.848   5.177
  229    HA2  GLY  18           HA2      GLY  18  -6.155 -24.258   5.251
  230    HA3  GLY  18           HA3      GLY  18  -7.704 -24.022   4.438
  231    H    ALA  19           H        ALA  19  -5.827 -21.695   3.010
  232    HA   ALA  19           HA       ALA  19  -5.314 -23.092   0.580
  233    HB1  ALA  19           HB1      ALA  19  -4.091 -20.526   1.690
  234    HB2  ALA  19           HB2      ALA  19  -4.055 -21.052  -0.007
  235    HB3  ALA  19           HB3      ALA  19  -5.602 -20.651   0.758
  236    H    VAL  20           H        VAL  20  -3.395 -22.944   3.531
  237    HA   VAL  20           HA       VAL  20  -0.948 -23.929   2.288
  238    HB   VAL  20           HB       VAL  20   0.044 -24.007   4.374
  239   HG11  VAL  20          HG11      VAL  20  -0.312 -21.826   5.333
  240   HG12  VAL  20          HG12      VAL  20  -0.507 -21.699   3.576
  241   HG13  VAL  20          HG13      VAL  20  -1.938 -21.705   4.635
  242   HG21  VAL  20          HG21      VAL  20  -1.161 -23.772   6.536
  243   HG22  VAL  20          HG22      VAL  20  -2.706 -23.931   5.674
  244   HG23  VAL  20          HG23      VAL  20  -1.546 -25.278   5.703
  245    H    THR  21           H        THR  21  -3.839 -25.497   3.399
  246    HA   THR  21           HA       THR  21  -2.625 -27.972   4.047
  247    HB   THR  21           HB       THR  21  -5.541 -27.925   3.520
  248    HG1  THR  21           HG1      THR  21  -5.850 -26.909   5.500
  249   HG21  THR  21          HG21      THR  21  -4.530 -29.959   4.517
  250   HG22  THR  21          HG22      THR  21  -5.588 -29.152   5.674
  251   HG23  THR  21          HG23      THR  21  -3.825 -28.976   5.819
  252    H    THR  22           H        THR  22  -2.875 -26.873   0.994
  253    HA   THR  22           HA       THR  22  -3.471 -29.287  -0.445
  254    HB   THR  22           HB       THR  22  -2.615 -28.290  -2.364
  255    HG1  THR  22           HG1      THR  22  -1.222 -26.587  -2.344
  256   HG21  THR  22          HG21      THR  22  -4.638 -27.102  -1.482
  257   HG22  THR  22          HG22      THR  22  -3.592 -26.081  -2.484
  258   HG23  THR  22          HG23      THR  22  -3.569 -25.903  -0.720
  259    H    SER  23           H        SER  23  -0.716 -28.443   1.422
  260    HA   SER  23           HA       SER  23   1.245 -29.440   1.882
  261    HB2  SER  23           HB2      SER  23  -0.160 -31.956   0.928
  262    HB3  SER  23           HB3      SER  23   1.350 -31.903   1.851
  263    HG   SER  23           HG       SER  23  -1.204 -30.956   2.672
  264    H    GLN  24           H        GLN  24   0.934 -28.366  -0.906
  265    HA   GLN  24           HA       GLN  24   2.712 -29.852  -2.627
  266    HB2  GLN  24           HB2      GLN  24   1.856 -26.938  -2.584
  267    HB3  GLN  24           HB3      GLN  24   2.890 -27.634  -3.836
  268    HG2  GLN  24           HG2      GLN  24   1.153 -29.184  -4.530
  269    HG3  GLN  24           HG3      GLN  24   0.111 -28.714  -3.186
  270   HE21  GLN  24          HE21      GLN  24   1.728 -27.301  -6.111
  271   HE22  GLN  24          HE22      GLN  24   0.493 -26.069  -6.336
  272    H    ILE  25           H        ILE  25   4.877 -29.421  -3.197
  273    HA   ILE  25           HA       ILE  25   6.608 -29.020  -0.973
  274    HB   ILE  25           HB       ILE  25   7.481 -28.957  -3.847
  275   HG12  ILE  25          HG12      ILE  25   6.051 -30.913  -3.737
  276   HG13  ILE  25          HG13      ILE  25   7.727 -31.402  -3.830
  277   HG21  ILE  25          HG21      ILE  25   8.895 -29.847  -1.314
  278   HG22  ILE  25          HG22      ILE  25   9.511 -30.117  -2.956
  279   HG23  ILE  25          HG23      ILE  25   9.297 -28.474  -2.371
  280   HD11  ILE  25          HD11      ILE  25   7.748 -31.912  -1.400
  281   HD12  ILE  25          HD12      ILE  25   6.051 -31.389  -1.275
  282   HD13  ILE  25          HD13      ILE  25   6.478 -32.805  -2.250
  283    HA   PRO  26           HA       PRO  26   6.858 -24.617  -0.996
  284    HB2  PRO  26           HB2      PRO  26   9.709 -24.888  -0.045
  285    HB3  PRO  26           HB3      PRO  26   8.369 -23.926   0.653
  286    HG2  PRO  26           HG2      PRO  26   9.066 -26.272   1.794
  287    HG3  PRO  26           HG3      PRO  26   7.327 -25.899   1.543
  288    HD2  PRO  26           HD2      PRO  26   9.152 -27.582  -0.206
  289    HD3  PRO  26           HD3      PRO  26   7.533 -27.979   0.425
  290    H    ALA  27           H        ALA  27   9.603 -26.216  -2.549
  291    HA   ALA  27           HA       ALA  27  10.995 -25.745  -4.240
  292    HB1  ALA  27           HB1      ALA  27   8.516 -24.408  -5.369
  293    HB2  ALA  27           HB2      ALA  27   9.940 -24.931  -6.297
  294    HB3  ALA  27           HB3      ALA  27   8.941 -26.128  -5.452
  295    H    SER  28           H        SER  28   9.436 -22.621  -4.769
  296    HA   SER  28           HA       SER  28  11.536 -21.076  -3.476
  297    HB2  SER  28           HB2      SER  28  12.640 -21.522  -5.614
  298    HB3  SER  28           HB3      SER  28  11.210 -20.964  -6.501
  299    HG   SER  28           HG       SER  28  12.928 -19.379  -6.249
  300    H    GLU  29           H        GLU  29  10.918 -18.910  -3.149
  301    HA   GLU  29           HA       GLU  29   8.074 -18.339  -3.096
  302    HB2  GLU  29           HB2      GLU  29  10.479 -16.509  -2.733
  303    HB3  GLU  29           HB3      GLU  29   8.818 -16.086  -2.331
  304    HG2  GLU  29           HG2      GLU  29  10.492 -18.274  -1.016
  305    HG3  GLU  29           HG3      GLU  29  10.161 -16.682  -0.356
  306    H    GLN  30           H        GLN  30  10.613 -17.696  -5.406
  307    HA   GLN  30           HA       GLN  30  10.723 -16.563  -7.362
  308    HB2  GLN  30           HB2      GLN  30   9.781 -18.739  -7.841
  309    HB3  GLN  30           HB3      GLN  30   8.142 -18.125  -7.667
  310    HG2  GLN  30           HG2      GLN  30   8.933 -18.469 -10.037
  311    HG3  GLN  30           HG3      GLN  30   8.285 -16.881  -9.720
  312   HE21  GLN  30          HE21      GLN  30   9.516 -15.216 -10.649
  313   HE22  GLN  30          HE22      GLN  30  11.249 -15.347 -10.919
  314    H    GLU  31           H        GLU  31  10.246 -14.525  -5.829
  315    HA   GLU  31           HA       GLU  31   7.985 -12.916  -6.606
  316    HB2  GLU  31           HB2      GLU  31  10.754 -11.976  -5.738
  317    HB3  GLU  31           HB3      GLU  31   9.271 -11.042  -5.837
  318    HG2  GLU  31           HG2      GLU  31   9.261 -11.416  -3.642
  319    HG3  GLU  31           HG3      GLU  31   8.289 -12.788  -4.147
  320    H    THR  32           H        THR  32   7.586 -11.761  -8.408
  321    HA   THR  32           HA       THR  32   9.696 -11.455 -10.450
  322    HB   THR  32           HB       THR  32   6.981 -12.251 -11.385
  323    HG1  THR  32           HG1      THR  32   7.578 -13.879  -9.984
  324   HG21  THR  32          HG21      THR  32   9.798 -12.605 -12.500
  325   HG22  THR  32          HG22      THR  32   8.547 -11.486 -13.102
  326   HG23  THR  32          HG23      THR  32   8.312 -13.229 -13.244
  327    H    LEU  33           H        LEU  33   9.640  -9.805 -11.934
  328    HA   LEU  33           HA       LEU  33   8.798  -7.375 -10.704
  329    HB2  LEU  33           HB2      LEU  33   9.968  -7.913 -13.455
  330    HB3  LEU  33           HB3      LEU  33   9.777  -6.312 -12.760
  331    HG   LEU  33           HG       LEU  33  11.564  -8.492 -11.603
  332   HD11  LEU  33          HD11      LEU  33  12.194  -5.976 -13.212
  333   HD12  LEU  33          HD12      LEU  33  12.364  -7.652 -13.771
  334   HD13  LEU  33          HD13      LEU  33  13.395  -7.055 -12.461
  335   HD21  LEU  33          HD21      LEU  33  11.304  -5.531 -10.890
  336   HD22  LEU  33          HD22      LEU  33  12.514  -6.665 -10.246
  337   HD23  LEU  33          HD23      LEU  33  10.809  -6.896  -9.862
  338    H    VAL  34           H        VAL  34   7.539  -5.793 -11.257
  339    HA   VAL  34           HA       VAL  34   5.812  -5.762 -13.627
  340    HB   VAL  34           HB       VAL  34   3.856  -5.120 -12.549
  341   HG11  VAL  34          HG11      VAL  34   4.340  -7.552 -12.357
  342   HG12  VAL  34          HG12      VAL  34   4.943  -7.254 -10.700
  343   HG13  VAL  34          HG13      VAL  34   3.243  -6.927 -11.109
  344   HG21  VAL  34          HG21      VAL  34   3.612  -4.855 -10.076
  345   HG22  VAL  34          HG22      VAL  34   5.366  -4.892  -9.915
  346   HG23  VAL  34          HG23      VAL  34   4.571  -3.586 -10.825
  347    H    ARG  35           H        ARG  35   4.908  -3.450 -13.914
  348    HA   ARG  35           HA       ARG  35   6.949  -1.479 -12.964
  349    HB2  ARG  35           HB2      ARG  35   7.045  -1.928 -15.388
  350    HB3  ARG  35           HB3      ARG  35   5.416  -1.253 -15.561
  351    HG2  ARG  35           HG2      ARG  35   6.194   0.911 -14.655
  352    HG3  ARG  35           HG3      ARG  35   7.773   0.204 -14.272
  353    HD2  ARG  35           HD2      ARG  35   8.113  -0.232 -16.728
  354    HD3  ARG  35           HD3      ARG  35   6.623   0.670 -17.046
  355    HE   ARG  35           HE       ARG  35   9.107   1.748 -15.712
  356   HH11  ARG  35          HH11      ARG  35   6.448   2.413 -17.923
  357   HH12  ARG  35          HH12      ARG  35   6.936   4.075 -18.118
  358   HH21  ARG  35          HH21      ARG  35   9.528   3.842 -15.848
  359   HH22  ARG  35          HH22      ARG  35   8.685   4.869 -16.997
  360    HA   PRO  36           HA       PRO  36   3.097  -0.104 -10.888
  361    HB2  PRO  36           HB2      PRO  36   4.364   1.221  -8.818
  362    HB3  PRO  36           HB3      PRO  36   3.952  -0.526  -8.817
  363    HG2  PRO  36           HG2      PRO  36   6.594   0.780  -9.462
  364    HG3  PRO  36           HG3      PRO  36   6.262  -0.670  -8.453
  365    HD2  PRO  36           HD2      PRO  36   7.100  -0.840 -11.030
  366    HD3  PRO  36           HD3      PRO  36   5.958  -2.037 -10.348
  367    H    LYS  37           H        LYS  37   2.098   1.883 -10.905
  368    HA   LYS  37           HA       LYS  37   2.881   3.707 -12.885
  369    HB2  LYS  37           HB2      LYS  37   0.955   5.040 -12.230
  370    HB3  LYS  37           HB3      LYS  37   0.556   3.327 -12.240
  371    HG2  LYS  37           HG2      LYS  37   0.498   3.244  -9.821
  372    HG3  LYS  37           HG3      LYS  37   1.239   4.839  -9.696
  373    HD2  LYS  37           HD2      LYS  37  -1.097   5.085  -9.231
  374    HD3  LYS  37           HD3      LYS  37  -0.728   5.883 -10.759
  375    HE2  LYS  37           HE2      LYS  37  -1.579   3.786 -11.940
  376    HE3  LYS  37           HE3      LYS  37  -2.100   3.192 -10.352
  377    HZ1  LYS  37           HZ1      LYS  37  -3.028   5.742 -11.559
  378    HZ2  LYS  37           HZ2      LYS  37  -3.584   5.081 -10.167
  379    HZ3  LYS  37           HZ3      LYS  37  -3.874   4.355 -11.610
  380    HA   PRO  38           HA       PRO  38   5.615   6.713 -11.216
  381    HB2  PRO  38           HB2      PRO  38   3.725   8.850 -12.220
  382    HB3  PRO  38           HB3      PRO  38   5.507   8.746 -12.390
  383    HG2  PRO  38           HG2      PRO  38   3.933   8.023 -14.457
  384    HG3  PRO  38           HG3      PRO  38   5.316   6.973 -14.000
  385    HD2  PRO  38           HD2      PRO  38   2.388   6.640 -13.296
  386    HD3  PRO  38           HD3      PRO  38   3.556   5.424 -13.894
  387    H    LEU  39           H        LEU  39   2.188   7.435 -10.468
  388    HA   LEU  39           HA       LEU  39   2.600   9.046  -8.161
  389    HB2  LEU  39           HB2      LEU  39   0.478   8.760  -9.498
  390    HB3  LEU  39           HB3      LEU  39   0.320   7.141  -8.822
  391    HG   LEU  39           HG       LEU  39   0.163   8.182  -6.515
  392   HD11  LEU  39          HD11      LEU  39   1.213  10.362  -6.961
  393   HD12  LEU  39          HD12      LEU  39  -0.466  10.610  -6.460
  394   HD13  LEU  39          HD13      LEU  39  -0.030  10.744  -8.175
  395   HD21  LEU  39          HD21      LEU  39  -2.150   8.906  -6.795
  396   HD22  LEU  39          HD22      LEU  39  -1.836   7.486  -7.798
  397   HD23  LEU  39          HD23      LEU  39  -1.912   9.094  -8.548
  398    H    LEU  40           H        LEU  40   2.562   5.528  -8.544
  399    HA   LEU  40           HA       LEU  40   2.682   4.966  -5.675
  400    HB2  LEU  40           HB2      LEU  40   1.504   3.497  -7.291
  401    HB3  LEU  40           HB3      LEU  40   3.009   3.188  -8.128
  402    HG   LEU  40           HG       LEU  40   3.927   1.976  -6.242
  403   HD11  LEU  40          HD11      LEU  40   2.516   1.508  -4.217
  404   HD12  LEU  40          HD12      LEU  40   1.351   2.723  -4.796
  405   HD13  LEU  40          HD13      LEU  40   2.993   3.206  -4.324
  406   HD21  LEU  40          HD21      LEU  40   2.425   0.090  -6.247
  407   HD22  LEU  40          HD22      LEU  40   2.248   0.868  -7.830
  408   HD23  LEU  40          HD23      LEU  40   1.028   1.121  -6.579
  409    H    LEU  41           H        LEU  41   4.920   4.936  -8.463
  410    HA   LEU  41           HA       LEU  41   7.287   4.168  -7.114
  411    HB2  LEU  41           HB2      LEU  41   7.152   4.310  -9.515
  412    HB3  LEU  41           HB3      LEU  41   6.790   6.033  -9.449
  413    HG   LEU  41           HG       LEU  41   9.027   6.556  -8.646
  414   HD11  LEU  41          HD11      LEU  41  10.797   4.777  -8.680
  415   HD12  LEU  41          HD12      LEU  41   9.518   3.559  -8.839
  416   HD13  LEU  41          HD13      LEU  41   9.639   4.546  -7.367
  417   HD21  LEU  41          HD21      LEU  41  10.262   5.976 -10.687
  418   HD22  LEU  41          HD22      LEU  41   8.595   6.432 -11.072
  419   HD23  LEU  41          HD23      LEU  41   9.066   4.718 -11.074
  420    H    LYS  42           H        LYS  42   5.852   7.461  -7.373
  421    HA   LYS  42           HA       LYS  42   7.775   8.848  -5.804
  422    HB2  LYS  42           HB2      LYS  42   6.000   9.911  -7.133
  423    HB3  LYS  42           HB3      LYS  42   4.767   9.276  -6.035
  424    HG2  LYS  42           HG2      LYS  42   5.642  10.639  -4.185
  425    HG3  LYS  42           HG3      LYS  42   7.013  11.149  -5.181
  426    HD2  LYS  42           HD2      LYS  42   5.428  12.945  -5.111
  427    HD3  LYS  42           HD3      LYS  42   5.433  12.275  -6.750
  428    HE2  LYS  42           HE2      LYS  42   3.365  10.997  -6.235
  429    HE3  LYS  42           HE3      LYS  42   3.386  11.615  -4.577
  430    HZ1  LYS  42           HZ1      LYS  42   1.888  12.924  -5.984
  431    HZ2  LYS  42           HZ2      LYS  42   3.099  13.298  -7.015
  432    HZ3  LYS  42           HZ3      LYS  42   3.121  13.866  -5.484
  433    H    LEU  43           H        LEU  43   4.991   6.906  -4.701
  434    HA   LEU  43           HA       LEU  43   5.321   7.495  -1.889
  435    HB2  LEU  43           HB2      LEU  43   3.228   6.773  -2.905
  436    HB3  LEU  43           HB3      LEU  43   3.895   5.207  -3.312
  437    HG   LEU  43           HG       LEU  43   3.755   6.170  -0.441
  438   HD11  LEU  43          HD11      LEU  43   1.614   5.026  -0.236
  439   HD12  LEU  43          HD12      LEU  43   1.676   4.535  -1.936
  440   HD13  LEU  43          HD13      LEU  43   1.487   6.249  -1.506
  441   HD21  LEU  43          HD21      LEU  43   5.114   4.148  -0.644
  442   HD22  LEU  43          HD22      LEU  43   3.931   3.406  -1.746
  443   HD23  LEU  43          HD23      LEU  43   3.546   3.665  -0.036
  444    H    LEU  44           H        LEU  44   6.415   4.739  -3.950
  445    HA   LEU  44           HA       LEU  44   7.769   3.294  -1.896
  446    HB2  LEU  44           HB2      LEU  44   8.345   3.462  -4.884
  447    HB3  LEU  44           HB3      LEU  44   8.957   2.215  -3.810
  448    HG   LEU  44           HG       LEU  44   5.981   2.643  -4.317
  449   HD11  LEU  44          HD11      LEU  44   7.129   2.033  -6.422
  450   HD12  LEU  44          HD12      LEU  44   6.119   0.712  -5.825
  451   HD13  LEU  44          HD13      LEU  44   7.884   0.648  -5.612
  452   HD21  LEU  44          HD21      LEU  44   6.522   1.417  -2.239
  453   HD22  LEU  44          HD22      LEU  44   7.473   0.259  -3.210
  454   HD23  LEU  44          HD23      LEU  44   5.717   0.405  -3.439
  455    H    LYS  45           H        LYS  45   8.965   5.855  -4.107
  456    HA   LYS  45           HA       LYS  45  11.646   5.816  -2.996
  457    HB2  LYS  45           HB2      LYS  45  10.235   7.695  -4.908
  458    HB3  LYS  45           HB3      LYS  45  11.916   7.911  -4.375
  459    HG2  LYS  45           HG2      LYS  45  12.475   5.622  -5.134
  460    HG3  LYS  45           HG3      LYS  45  10.829   5.356  -5.646
  461    HD2  LYS  45           HD2      LYS  45  12.280   5.817  -7.534
  462    HD3  LYS  45           HD3      LYS  45  11.021   7.053  -7.369
  463    HE2  LYS  45           HE2      LYS  45  13.103   8.021  -8.026
  464    HE3  LYS  45           HE3      LYS  45  12.655   8.599  -6.412
  465    HZ1  LYS  45           HZ1      LYS  45  15.006   8.011  -6.479
  466    HZ2  LYS  45           HZ2      LYS  45  14.683   6.504  -7.012
  467    HZ3  LYS  45           HZ3      LYS  45  14.255   6.944  -5.496
  468    H    SER  46           H        SER  46   8.782   7.612  -2.014
  469    HA   SER  46           HA       SER  46  10.167   9.438  -0.283
  470    HB2  SER  46           HB2      SER  46   8.125   9.891   0.726
  471    HB3  SER  46           HB3      SER  46   7.698   9.490  -0.938
  472    HG   SER  46           HG       SER  46   7.158   7.351  -0.156
  473    H    VAL  47           H        VAL  47   9.426   6.008   0.087
  474    HA   VAL  47           HA       VAL  47  10.737   5.975   2.747
  475    HB   VAL  47           HB       VAL  47   9.913   3.819   3.155
  476   HG11  VAL  47          HG11      VAL  47   7.628   5.434   1.968
  477   HG12  VAL  47          HG12      VAL  47   7.544   4.207   3.247
  478   HG13  VAL  47          HG13      VAL  47   8.375   5.741   3.553
  479   HG21  VAL  47          HG21      VAL  47  10.022   2.881   0.821
  480   HG22  VAL  47          HG22      VAL  47   8.515   2.530   1.686
  481   HG23  VAL  47          HG23      VAL  47   8.546   3.791   0.443
  482    H    GLY  48           H        GLY  48  12.023   6.205  -0.076
  483    HA2  GLY  48           HA2      GLY  48  14.298   6.066  -0.399
  484    HA3  GLY  48           HA3      GLY  48  14.442   4.860   0.871
  485    H    ALA  49           H        ALA  49  12.184   4.203  -1.828
  486    HA   ALA  49           HA       ALA  49  13.734   1.946  -2.728
  487    HB1  ALA  49           HB1      ALA  49  11.226   2.239  -2.741
  488    HB2  ALA  49           HB2      ALA  49  11.429   3.339  -4.130
  489    HB3  ALA  49           HB3      ALA  49  11.933   1.631  -4.220
  490    H    GLN  50           H        GLN  50  14.353   1.700  -5.100
  491    HA   GLN  50           HA       GLN  50  15.835   4.120  -6.073
  492    HB2  GLN  50           HB2      GLN  50  17.220   2.869  -4.511
  493    HB3  GLN  50           HB3      GLN  50  16.934   1.379  -5.400
  494    HG2  GLN  50           HG2      GLN  50  19.155   2.161  -5.849
  495    HG3  GLN  50           HG3      GLN  50  18.224   2.260  -7.329
  496   HE21  GLN  50          HE21      GLN  50  17.505   4.471  -8.034
  497   HE22  GLN  50          HE22      GLN  50  18.409   5.876  -7.452
  498    H    LYS  51           H        LYS  51  14.270   1.129  -7.022
  499    HA   LYS  51           HA       LYS  51  15.340   1.148  -9.781
  500    HB2  LYS  51           HB2      LYS  51  13.264  -0.623  -8.428
  501    HB3  LYS  51           HB3      LYS  51  13.961  -0.888 -10.026
  502    HG2  LYS  51           HG2      LYS  51  16.227  -1.099  -8.986
  503    HG3  LYS  51           HG3      LYS  51  15.469  -1.027  -7.386
  504    HD2  LYS  51           HD2      LYS  51  14.827  -3.082  -9.550
  505    HD3  LYS  51           HD3      LYS  51  15.914  -3.356  -8.176
  506    HE2  LYS  51           HE2      LYS  51  14.038  -2.956  -6.598
  507    HE3  LYS  51           HE3      LYS  51  12.948  -2.661  -7.959
  508    HZ1  LYS  51           HZ1      LYS  51  14.323  -5.226  -7.388
  509    HZ2  LYS  51           HZ2      LYS  51  13.368  -4.943  -8.698
  510    HZ3  LYS  51           HZ3      LYS  51  12.737  -4.923  -7.183
  511    H    ASP  52           H        ASP  52  13.674   0.661 -11.513
  512    HA   ASP  52           HA       ASP  52  11.312   2.474 -11.351
  513    HB2  ASP  52           HB2      ASP  52  12.657   3.242 -13.076
  514    HB3  ASP  52           HB3      ASP  52  12.989   1.620 -13.675
  515    H    THR  53           H        THR  53  12.228  -0.862 -12.136
  516    HA   THR  53           HA       THR  53   9.375  -1.759 -12.155
  517    HB   THR  53           HB       THR  53  10.636  -4.006 -12.618
  518    HG1  THR  53           HG1      THR  53  12.640  -3.667 -13.692
  519   HG21  THR  53          HG21      THR  53   9.312  -2.839 -14.327
  520   HG22  THR  53          HG22      THR  53  10.763  -3.592 -15.011
  521   HG23  THR  53          HG23      THR  53  10.718  -1.829 -14.739
  522    H    TYR  54           H        TYR  54   8.734  -3.317 -10.659
  523    HA   TYR  54           HA       TYR  54  10.482  -4.061  -8.388
  524    HB2  TYR  54           HB2      TYR  54   7.876  -2.532  -8.094
  525    HB3  TYR  54           HB3      TYR  54   8.683  -3.376  -6.783
  526    HD1  TYR  54           HD1      TYR  54   8.863  -0.476  -9.056
  527    HD2  TYR  54           HD2      TYR  54  10.700  -2.526  -5.734
  528    HE1  TYR  54           HE1      TYR  54  10.268   1.513  -8.614
  529    HE2  TYR  54           HE2      TYR  54  12.092  -0.501  -5.268
  530    HH   TYR  54           HH       TYR  54  12.044   2.320  -7.453
  531    H    THR  55           H        THR  55   9.726  -5.878  -7.151
  532    HA   THR  55           HA       THR  55   7.708  -7.512  -8.534
  533    HB   THR  55           HB       THR  55   8.150  -9.309  -7.251
  534    HG1  THR  55           HG1      THR  55   9.289  -9.099  -5.234
  535   HG21  THR  55          HG21      THR  55  10.183  -8.746  -8.545
  536   HG22  THR  55          HG22      THR  55  10.573  -9.590  -7.047
  537   HG23  THR  55          HG23      THR  55  10.824  -7.845  -7.153
  538    H    MET  56           H        MET  56   5.653  -8.249  -7.633
  539    HA   MET  56           HA       MET  56   4.193  -6.172  -6.340
  540    HB2  MET  56           HB2      MET  56   3.516  -9.144  -6.425
  541    HB3  MET  56           HB3      MET  56   2.410  -7.807  -6.062
  542    HG2  MET  56           HG2      MET  56   3.097  -6.839  -8.354
  543    HG3  MET  56           HG3      MET  56   3.784  -8.412  -8.702
  544    HE1  MET  56           HE1      MET  56  -0.344  -7.022  -9.394
  545    HE2  MET  56           HE2      MET  56   0.616  -6.323  -8.060
  546    HE3  MET  56           HE3      MET  56   1.279  -6.352  -9.707
  547    H    LYS  57           H        LYS  57   6.053  -8.825  -4.947
  548    HA   LYS  57           HA       LYS  57   5.224  -8.452  -2.192
  549    HB2  LYS  57           HB2      LYS  57   6.118 -10.536  -3.055
  550    HB3  LYS  57           HB3      LYS  57   7.647  -9.777  -3.471
  551    HG2  LYS  57           HG2      LYS  57   6.696  -9.718  -0.594
  552    HG3  LYS  57           HG3      LYS  57   7.301 -11.220  -1.290
  553    HD2  LYS  57           HD2      LYS  57   9.434  -9.936  -1.935
  554    HD3  LYS  57           HD3      LYS  57   8.822  -8.605  -0.957
  555    HE2  LYS  57           HE2      LYS  57  10.408  -9.920   0.314
  556    HE3  LYS  57           HE3      LYS  57   8.805 -10.034   1.044
  557    HZ1  LYS  57           HZ1      LYS  57  10.002 -12.196   0.871
  558    HZ2  LYS  57           HZ2      LYS  57   9.934 -12.138  -0.763
  559    HZ3  LYS  57           HZ3      LYS  57   8.562 -12.235   0.112
  560    H    GLU  58           H        GLU  58   7.957  -7.128  -4.134
  561    HA   GLU  58           HA       GLU  58   9.107  -5.559  -2.002
  562    HB2  GLU  58           HB2      GLU  58   9.111  -5.261  -5.016
  563    HB3  GLU  58           HB3      GLU  58   9.971  -4.156  -3.947
  564    HG2  GLU  58           HG2      GLU  58  11.383  -5.906  -3.093
  565    HG3  GLU  58           HG3      GLU  58  10.481  -7.151  -3.955
  566    H    VAL  59           H        VAL  59   6.615  -4.760  -4.464
  567    HA   VAL  59           HA       VAL  59   6.181  -2.049  -3.649
  568    HB   VAL  59           HB       VAL  59   4.288  -4.044  -4.957
  569   HG11  VAL  59          HG11      VAL  59   2.951  -2.248  -3.878
  570   HG12  VAL  59          HG12      VAL  59   3.965  -1.025  -4.668
  571   HG13  VAL  59          HG13      VAL  59   2.933  -2.108  -5.634
  572   HG21  VAL  59          HG21      VAL  59   6.272  -3.424  -6.326
  573   HG22  VAL  59          HG22      VAL  59   4.784  -2.771  -7.014
  574   HG23  VAL  59          HG23      VAL  59   5.890  -1.712  -6.107
  575    H    LEU  60           H        LEU  60   4.442  -5.076  -2.619
  576    HA   LEU  60           HA       LEU  60   2.820  -3.814  -0.649
  577    HB2  LEU  60           HB2      LEU  60   3.934  -6.626  -0.944
  578    HB3  LEU  60           HB3      LEU  60   2.950  -6.187   0.443
  579    HG   LEU  60           HG       LEU  60   1.977  -5.843  -2.419
  580   HD11  LEU  60          HD11      LEU  60   1.432  -8.109  -0.470
  581   HD12  LEU  60          HD12      LEU  60   2.435  -8.226  -1.938
  582   HD13  LEU  60          HD13      LEU  60   0.699  -7.904  -2.077
  583   HD21  LEU  60          HD21      LEU  60   0.735  -4.474  -0.789
  584   HD22  LEU  60          HD22      LEU  60   0.551  -5.876   0.282
  585   HD23  LEU  60          HD23      LEU  60  -0.263  -5.838  -1.298
  586    H    PHE  61           H        PHE  61   6.083  -5.306  -0.273
  587    HA   PHE  61           HA       PHE  61   6.423  -4.795   2.446
  588    HB2  PHE  61           HB2      PHE  61   7.896  -6.284   1.488
  589    HB3  PHE  61           HB3      PHE  61   8.306  -5.203   0.178
  590    HD1  PHE  61           HD1      PHE  61   8.915  -5.863   3.784
  591    HD2  PHE  61           HD2      PHE  61  10.124  -3.663   0.273
  592    HE1  PHE  61           HE1      PHE  61  11.030  -5.216   4.913
  593    HE2  PHE  61           HE2      PHE  61  12.250  -3.048   1.396
  594    HZ   PHE  61           HZ       PHE  61  12.706  -3.818   3.717
  595    H    TYR  62           H        TYR  62   7.401  -2.547  -0.143
  596    HA   TYR  62           HA       TYR  62   8.098  -0.494   1.783
  597    HB2  TYR  62           HB2      TYR  62   7.857  -0.540  -1.196
  598    HB3  TYR  62           HB3      TYR  62   8.161   0.957  -0.326
  599    HD1  TYR  62           HD2      TYR  62  10.142   0.597   1.618
  600    HD2  TYR  62           HD1      TYR  62   9.762  -1.461  -2.158
  601    HE1  TYR  62           HE2      TYR  62  12.602   0.233   1.564
  602    HE2  TYR  62           HE1      TYR  62  12.220  -1.836  -2.201
  603    HH   TYR  62           HH       TYR  62  14.217  -1.512  -1.120
  604    H    LEU  63           H        LEU  63   5.109  -1.076  -0.035
  605    HA   LEU  63           HA       LEU  63   3.852   1.398   0.613
  606    HB2  LEU  63           HB2      LEU  63   3.145  -0.096  -1.179
  607    HB3  LEU  63           HB3      LEU  63   2.753  -1.363  -0.017
  608    HG   LEU  63           HG       LEU  63   0.888  -0.027   0.866
  609   HD11  LEU  63          HD11      LEU  63   1.633   2.253   0.563
  610   HD12  LEU  63          HD12      LEU  63   0.201   2.020  -0.446
  611   HD13  LEU  63          HD13      LEU  63   1.801   2.021  -1.200
  612   HD21  LEU  63          HD21      LEU  63  -0.536  -0.124  -1.136
  613   HD22  LEU  63          HD22      LEU  63   0.541  -1.528  -1.100
  614   HD23  LEU  63          HD23      LEU  63   0.893  -0.168  -2.185
  615    H    GLY  64           H        GLY  64   3.913  -1.739   2.361
  616    HA2  GLY  64           HA2      GLY  64   2.297  -0.948   4.591
  617    HA3  GLY  64           HA3      GLY  64   3.529  -2.210   4.592
  618    H    GLN  65           H        GLN  65   5.847  -0.626   4.022
  619    HA   GLN  65           HA       GLN  65   6.439   0.592   6.561
  620    HB2  GLN  65           HB2      GLN  65   7.851   0.613   3.882
  621    HB3  GLN  65           HB3      GLN  65   8.470   1.493   5.280
  622    HG2  GLN  65           HG2      GLN  65   8.733  -0.496   6.577
  623    HG3  GLN  65           HG3      GLN  65   7.813  -1.471   5.432
  624   HE21  GLN  65          HE21      GLN  65   8.762  -2.016   3.392
  625   HE22  GLN  65          HE22      GLN  65  10.505  -1.954   3.172
  626    H    TYR  66           H        TYR  66   5.273   2.036   3.498
  627    HA   TYR  66           HA       TYR  66   5.514   4.760   4.404
  628    HB2  TYR  66           HB2      TYR  66   5.300   4.189   2.051
  629    HB3  TYR  66           HB3      TYR  66   3.703   3.518   2.328
  630    HD1  TYR  66           HD2      TYR  66   5.690   6.622   2.198
  631    HD2  TYR  66           HD1      TYR  66   1.724   4.962   2.574
  632    HE1  TYR  66           HE2      TYR  66   4.726   8.839   1.671
  633    HE2  TYR  66           HE1      TYR  66   0.753   7.210   2.047
  634    HH   TYR  66           HH       TYR  66   2.829  10.002   1.192
  635    H    ILE  67           H        ILE  67   2.769   2.464   4.441
  636    HA   ILE  67           HA       ILE  67   0.892   4.119   5.793
  637    HB   ILE  67           HB       ILE  67   1.227   1.099   5.695
  638   HG12  ILE  67          HG12      ILE  67  -0.856   2.774   4.269
  639   HG13  ILE  67          HG13      ILE  67   0.732   2.538   3.551
  640   HG21  ILE  67          HG21      ILE  67  -1.060   2.770   6.805
  641   HG22  ILE  67          HG22      ILE  67  -1.252   1.086   6.343
  642   HG23  ILE  67          HG23      ILE  67  -0.137   1.509   7.641
  643   HD11  ILE  67          HD11      ILE  67  -1.233   0.316   4.218
  644   HD12  ILE  67          HD12      ILE  67  -0.810   0.935   2.615
  645   HD13  ILE  67          HD13      ILE  67   0.409   0.083   3.575
  646    H    MET  68           H        MET  68   3.400   1.955   7.144
  647    HA   MET  68           HA       MET  68   2.779   2.434   9.900
  648    HB2  MET  68           HB2      MET  68   5.294   1.501   8.503
  649    HB3  MET  68           HB3      MET  68   5.225   1.768  10.249
  650    HG2  MET  68           HG2      MET  68   3.219   0.268  10.367
  651    HG3  MET  68           HG3      MET  68   3.488  -0.157   8.680
  652    HE1  MET  68           HE1      MET  68   6.753  -2.221   8.747
  653    HE2  MET  68           HE2      MET  68   5.478  -1.439   7.782
  654    HE3  MET  68           HE3      MET  68   6.757  -0.453   8.531
  655    H    THR  69           H        THR  69   5.343   4.011   7.877
  656    HA   THR  69           HA       THR  69   6.077   5.774   9.990
  657    HB   THR  69           HB       THR  69   7.476   5.101   8.011
  658    HG1  THR  69           HG1      THR  69   8.640   6.993   8.207
  659   HG21  THR  69          HG21      THR  69   5.928   5.897   6.220
  660   HG22  THR  69          HG22      THR  69   7.548   6.589   6.098
  661   HG23  THR  69          HG23      THR  69   6.209   7.573   6.734
  662    H    LYS  70           H        LYS  70   3.677   6.214   7.469
  663    HA   LYS  70           HA       LYS  70   2.926   8.924   8.296
  664    HB2  LYS  70           HB2      LYS  70   1.657   6.833   6.499
  665    HB3  LYS  70           HB3      LYS  70   1.002   8.447   6.729
  666    HG2  LYS  70           HG2      LYS  70   3.887   8.296   5.888
  667    HG3  LYS  70           HG3      LYS  70   2.707   7.726   4.725
  668    HD2  LYS  70           HD2      LYS  70   2.615  10.485   6.017
  669    HD3  LYS  70           HD3      LYS  70   3.329  10.107   4.437
  670    HE2  LYS  70           HE2      LYS  70   1.085   9.113   3.763
  671    HE3  LYS  70           HE3      LYS  70   0.402   9.788   5.245
  672    HZ1  LYS  70           HZ1      LYS  70   1.022  12.003   4.437
  673    HZ2  LYS  70           HZ2      LYS  70   0.090  11.236   3.318
  674    HZ3  LYS  70           HZ3      LYS  70   1.693  11.352   3.083
  675    H    ARG  71           H        ARG  71   2.249   5.831   9.618
  676    HA   ARG  71           HA       ARG  71   0.823   4.960  11.061
  677    HB2  ARG  71           HB2      ARG  71   2.072   6.890  12.284
  678    HB3  ARG  71           HB3      ARG  71   0.498   7.696  12.319
  679    HG2  ARG  71           HG2      ARG  71  -0.447   5.622  13.439
  680    HG3  ARG  71           HG3      ARG  71   1.169   4.909  13.343
  681    HD2  ARG  71           HD2      ARG  71   0.810   5.746  15.587
  682    HD3  ARG  71           HD3      ARG  71   2.068   6.692  14.781
  683    HE   ARG  71           HE       ARG  71  -0.711   7.739  14.680
  684   HH11  ARG  71          HH11      ARG  71   2.391   8.030  16.288
  685   HH12  ARG  71          HH12      ARG  71   2.035   9.630  16.879
  686   HH21  ARG  71          HH21      ARG  71  -1.095   9.778  15.463
  687   HH22  ARG  71          HH22      ARG  71   0.106  10.582  16.429
  688    H    LEU  72           H        LEU  72  -0.433   5.194   8.806
  689    HA   LEU  72           HA       LEU  72  -2.938   6.694   8.963
  690    HB2  LEU  72           HB2      LEU  72  -2.009   4.632   6.945
  691    HB3  LEU  72           HB3      LEU  72  -3.374   5.705   6.744
  692    HG   LEU  72           HG       LEU  72  -0.479   6.575   7.002
  693   HD11  LEU  72          HD11      LEU  72  -0.923   5.402   4.894
  694   HD12  LEU  72          HD12      LEU  72  -0.629   7.124   4.616
  695   HD13  LEU  72          HD13      LEU  72  -2.288   6.496   4.565
  696   HD21  LEU  72          HD21      LEU  72  -1.938   8.329   7.816
  697   HD22  LEU  72          HD22      LEU  72  -3.011   8.146   6.405
  698   HD23  LEU  72          HD23      LEU  72  -1.364   8.783   6.205
  699    H    TYR  73           H        TYR  73  -2.103   3.679  10.242
  700    HA   TYR  73           HA       TYR  73  -4.653   2.383   9.917
  701    HB2  TYR  73           HB2      TYR  73  -3.877   0.889  11.802
  702    HB3  TYR  73           HB3      TYR  73  -3.026   0.875  10.270
  703    HD1  TYR  73           HD1      TYR  73  -2.869   2.360  13.702
  704    HD2  TYR  73           HD2      TYR  73  -0.673   1.235  10.166
  705    HE1  TYR  73           HE1      TYR  73  -0.717   2.688  14.933
  706    HE2  TYR  73           HE2      TYR  73   1.464   1.539  11.402
  707    HH   TYR  73           HH       TYR  73   2.459   2.058  13.403
  708    H    ASP  74           H        ASP  74  -6.387   1.969  11.346
  709    HA   ASP  74           HA       ASP  74  -7.043   4.170  13.119
  710    HB2  ASP  74           HB2      ASP  74  -8.834   3.260  12.013
  711    HB3  ASP  74           HB3      ASP  74  -8.440   1.619  12.461
  712    H    GLU  75           H        GLU  75  -6.750   4.442  15.261
  713    HA   GLU  75           HA       GLU  75  -4.940   2.776  16.753
  714    HB2  GLU  75           HB2      GLU  75  -5.449   4.232  18.618
  715    HB3  GLU  75           HB3      GLU  75  -5.136   5.162  17.149
  716    HG2  GLU  75           HG2      GLU  75  -7.608   5.462  16.853
  717    HG3  GLU  75           HG3      GLU  75  -7.873   4.589  18.367
  718    H    LYS  76           H        LYS  76  -8.443   2.712  16.415
  719    HA   LYS  76           HA       LYS  76  -8.787   0.727  18.599
  720    HB2  LYS  76           HB2      LYS  76 -10.837   1.686  16.553
  721    HB3  LYS  76           HB3      LYS  76 -11.125   0.692  17.980
  722    HG2  LYS  76           HG2      LYS  76 -10.258   2.595  19.380
  723    HG3  LYS  76           HG3      LYS  76 -10.141   3.579  17.927
  724    HD2  LYS  76           HD2      LYS  76 -12.188   4.175  19.027
  725    HD3  LYS  76           HD3      LYS  76 -12.563   3.346  17.524
  726    HE2  LYS  76           HE2      LYS  76 -14.100   2.599  19.214
  727    HE3  LYS  76           HE3      LYS  76 -13.045   1.253  18.790
  728    HZ1  LYS  76           HZ1      LYS  76 -13.334   1.469  21.200
  729    HZ2  LYS  76           HZ2      LYS  76 -12.729   2.981  21.193
  730    HZ3  LYS  76           HZ3      LYS  76 -11.766   1.712  20.827
  731    H    GLN  77           H        GLN  77  -9.614   0.670  15.121
  732    HA   GLN  77           HA       GLN  77  -9.159  -2.269  15.073
  733    HB2  GLN  77           HB2      GLN  77 -10.271  -0.452  12.909
  734    HB3  GLN  77           HB3      GLN  77 -10.237  -2.213  12.896
  735    HG2  GLN  77           HG2      GLN  77 -11.850  -0.439  14.771
  736    HG3  GLN  77           HG3      GLN  77 -12.469  -1.384  13.430
  737   HE21  GLN  77          HE21      GLN  77 -13.517  -1.633  16.056
  738   HE22  GLN  77          HE22      GLN  77 -13.112  -3.247  16.626
  739    H    GLN  78           H        GLN  78  -6.927  -2.429  15.212
  740    HA   GLN  78           HA       GLN  78  -5.074  -0.880  13.695
  741    HB2  GLN  78           HB2      GLN  78  -4.825  -3.604  15.021
  742    HB3  GLN  78           HB3      GLN  78  -3.453  -2.690  14.407
  743    HG2  GLN  78           HG2      GLN  78  -5.314  -1.417  16.460
  744    HG3  GLN  78           HG3      GLN  78  -4.083  -2.565  16.950
  745   HE21  GLN  78          HE21      GLN  78  -4.513   0.624  15.284
  746   HE22  GLN  78          HE22      GLN  78  -2.825   1.075  15.539
  747    H    HIS  79           H        HIS  79  -7.012  -3.515  12.682
  748    HA   HIS  79           HA       HIS  79  -5.381  -4.205  10.342
  749    HB2  HIS  79           HB2      HIS  79  -6.949  -5.951  10.000
  750    HB3  HIS  79           HB3      HIS  79  -6.581  -5.881  11.723
  751    HD1  HIS  79           HD1      HIS  79  -8.629  -5.216  13.378
  752    HD2  HIS  79           HD2      HIS  79  -9.480  -5.480   9.267
  753    HE1  HIS  79           HE1      HIS  79 -11.164  -5.217  13.172
  754    H    ILE  80           H        ILE  80  -7.185  -1.508  10.881
  755    HA   ILE  80           HA       ILE  80  -8.160  -1.364   8.052
  756    HB   ILE  80           HB       ILE  80  -9.362  -0.036  10.504
  757   HG12  ILE  80          HG12      ILE  80 -10.362  -2.356   8.784
  758   HG13  ILE  80          HG13      ILE  80  -9.852  -2.436  10.470
  759   HG21  ILE  80          HG21      ILE  80 -11.125   0.772   8.985
  760   HG22  ILE  80          HG22      ILE  80  -9.574   1.377   8.461
  761   HG23  ILE  80          HG23      ILE  80 -10.316   0.006   7.603
  762   HD11  ILE  80          HD11      ILE  80 -11.744  -0.827  11.025
  763   HD12  ILE  80          HD12      ILE  80 -12.355  -1.133   9.382
  764   HD13  ILE  80          HD13      ILE  80 -12.201  -2.473  10.531
  765    H    VAL  81           H        VAL  81  -7.622   0.378   6.864
  766    HA   VAL  81           HA       VAL  81  -5.723   2.386   8.024
  767    HB   VAL  81           HB       VAL  81  -5.833   1.235   5.217
  768   HG11  VAL  81          HG11      VAL  81  -3.943   3.287   6.440
  769   HG12  VAL  81          HG12      VAL  81  -3.702   2.491   4.872
  770   HG13  VAL  81          HG13      VAL  81  -5.082   3.565   5.100
  771   HG21  VAL  81          HG21      VAL  81  -3.628   0.291   5.746
  772   HG22  VAL  81          HG22      VAL  81  -3.727   0.933   7.404
  773   HG23  VAL  81          HG23      VAL  81  -4.846  -0.330   6.858
  774    H    TYR  82           H        TYR  82  -6.141   4.475   7.767
  775    HA   TYR  82           HA       TYR  82  -8.431   5.334   6.088
  776    HB2  TYR  82           HB2      TYR  82  -7.454   6.438   8.703
  777    HB3  TYR  82           HB3      TYR  82  -8.450   7.366   7.593
  778    HD1  TYR  82           HD1      TYR  82  -8.371   4.260   9.651
  779    HD2  TYR  82           HD2      TYR  82 -10.811   6.998   7.375
  780    HE1  TYR  82           HE1      TYR  82 -10.429   3.158  10.525
  781    HE2  TYR  82           HE2      TYR  82 -12.863   5.895   8.249
  782    HH   TYR  82           HH       TYR  82 -13.717   4.246   9.595
  783    H    CYS  83           H        CYS  83  -8.203   6.690   4.459
  784    HA   CYS  83           HA       CYS  83  -5.645   8.143   4.089
  785    HB2  CYS  83           HB2      CYS  83  -5.354   6.989   1.878
  786    HB3  CYS  83           HB3      CYS  83  -5.107   5.997   3.313
  787    HG   CYS  83           HG       CYS  83  -7.735   6.102   1.268
  788    H    SER  84           H        SER  84  -8.666   8.871   4.219
  789    HA   SER  84           HA       SER  84  -9.505   9.895   1.752
  790    HB2  SER  84           HB2      SER  84 -10.891   9.804   3.794
  791    HB3  SER  84           HB3      SER  84  -9.947  11.137   4.488
  792    HG   SER  84           HG       SER  84 -11.875  11.862   3.448
  793    H    ASN  85           H        ASN  85  -8.893  11.428   0.443
  794    HA   ASN  85           HA       ASN  85  -7.687  12.977  -0.609
  795    HB2  ASN  85           HB2      ASN  85  -7.917  14.475   2.018
  796    HB3  ASN  85           HB3      ASN  85  -7.460  15.196   0.480
  797   HD21  ASN  85          HD21      ASN  85  -9.854  15.639   2.289
  798   HD22  ASN  85          HD22      ASN  85 -11.206  15.488   1.174
  799    H    ASP  86           H        ASP  86  -6.049  10.996   1.244
  800    HA   ASP  86           HA       ASP  86  -3.437  12.396   1.223
  801    HB2  ASP  86           HB2      ASP  86  -4.038  10.988   3.150
  802    HB3  ASP  86           HB3      ASP  86  -4.229   9.592   2.080
  803    H    LEU  87           H        LEU  87  -1.533  11.234   0.238
  804    HA   LEU  87           HA       LEU  87  -1.749  10.598  -2.531
  805    HB2  LEU  87           HB2      LEU  87   0.323  11.299  -1.482
  806    HB3  LEU  87           HB3      LEU  87   0.312   9.892  -0.419
  807    HG   LEU  87           HG       LEU  87   0.683   8.383  -2.340
  808   HD11  LEU  87          HD11      LEU  87   1.295   9.336  -4.545
  809   HD12  LEU  87          HD12      LEU  87   0.795  10.951  -3.983
  810   HD13  LEU  87          HD13      LEU  87  -0.396   9.640  -4.152
  811   HD21  LEU  87          HD21      LEU  87   2.979   9.153  -2.908
  812   HD22  LEU  87          HD22      LEU  87   2.629   9.277  -1.178
  813   HD23  LEU  87          HD23      LEU  87   2.606  10.737  -2.191
  814    H    LEU  88           H        LEU  88  -1.879   8.453   0.367
  815    HA   LEU  88           HA       LEU  88  -1.982   6.019  -1.133
  816    HB2  LEU  88           HB2      LEU  88  -1.352   6.260   1.279
  817    HB3  LEU  88           HB3      LEU  88  -3.032   6.638   1.656
  818    HG   LEU  88           HG       LEU  88  -3.710   4.375   0.794
  819   HD11  LEU  88          HD11      LEU  88  -1.780   2.710   0.580
  820   HD12  LEU  88          HD12      LEU  88  -0.685   4.092   0.490
  821   HD13  LEU  88          HD13      LEU  88  -1.921   3.841  -0.767
  822   HD21  LEU  88          HD21      LEU  88  -3.283   4.691   3.174
  823   HD22  LEU  88          HD22      LEU  88  -1.554   4.379   2.907
  824   HD23  LEU  88          HD23      LEU  88  -2.749   3.083   2.645
  825    H    GLY  89           H        GLY  89  -4.551   8.243  -0.081
  826    HA2  GLY  89           HA2      GLY  89  -6.791   6.569  -0.875
  827    HA3  GLY  89           HA3      GLY  89  -6.816   8.310  -0.565
  828    H    ASP  90           H        ASP  90  -4.820   9.078  -2.490
  829    HA   ASP  90           HA       ASP  90  -6.304   9.060  -4.964
  830    HB2  ASP  90           HB2      ASP  90  -3.518   9.993  -4.254
  831    HB3  ASP  90           HB3      ASP  90  -4.144  10.038  -5.898
  832    H    LEU  91           H        LEU  91  -3.761   6.980  -3.772
  833    HA   LEU  91           HA       LEU  91  -3.465   5.469  -6.252
  834    HB2  LEU  91           HB2      LEU  91  -2.642   5.093  -3.359
  835    HB3  LEU  91           HB3      LEU  91  -2.439   3.792  -4.522
  836    HG   LEU  91           HG       LEU  91  -1.171   6.547  -4.852
  837   HD11  LEU  91          HD11      LEU  91  -0.096   3.974  -3.713
  838   HD12  LEU  91          HD12      LEU  91  -0.325   5.525  -2.894
  839   HD13  LEU  91          HD13      LEU  91   0.892   5.391  -4.174
  840   HD21  LEU  91          HD21      LEU  91  -0.623   3.885  -6.246
  841   HD22  LEU  91          HD22      LEU  91   0.222   5.424  -6.523
  842   HD23  LEU  91          HD23      LEU  91  -1.464   5.254  -6.989
  843    H    PHE  92           H        PHE  92  -4.940   4.509  -3.077
  844    HA   PHE  92           HA       PHE  92  -6.182   2.244  -4.301
  845    HB2  PHE  92           HB2      PHE  92  -6.329   3.359  -1.526
  846    HB3  PHE  92           HB3      PHE  92  -7.385   2.059  -2.036
  847    HD1  PHE  92           HD1      PHE  92  -6.182   0.056  -3.335
  848    HD2  PHE  92           HD2      PHE  92  -4.369   2.616  -0.411
  849    HE1  PHE  92           HE1      PHE  92  -4.484  -1.712  -2.855
  850    HE2  PHE  92           HE2      PHE  92  -2.738   0.819   0.145
  851    HZ   PHE  92           HZ       PHE  92  -2.777  -1.327  -1.098
  852    H    GLY  93           H        GLY  93  -7.426   5.431  -4.142
  853    HA2  GLY  93           HA2      GLY  93  -9.279   6.270  -5.208
  854    HA3  GLY  93           HA3      GLY  93  -9.757   4.642  -5.696
  855    H    VAL  94           H        VAL  94  -9.224   5.235  -2.284
  856    HA   VAL  94           HA       VAL  94 -12.119   5.532  -1.686
  857    HB   VAL  94           HB       VAL  94 -11.873   3.673   0.037
  858   HG11  VAL  94          HG11      VAL  94 -11.764   2.795  -2.864
  859   HG12  VAL  94          HG12      VAL  94 -12.459   1.902  -1.494
  860   HG13  VAL  94          HG13      VAL  94 -13.198   3.426  -2.013
  861   HG21  VAL  94          HG21      VAL  94  -9.398   3.393  -0.022
  862   HG22  VAL  94          HG22      VAL  94 -10.279   1.889  -0.329
  863   HG23  VAL  94          HG23      VAL  94  -9.541   2.758  -1.680
  864    HA   PRO  95           HA       PRO  95 -10.472   7.919   1.712
  865    HB2  PRO  95           HB2      PRO  95 -12.564   7.943   3.467
  866    HB3  PRO  95           HB3      PRO  95 -12.630   8.771   1.880
  867    HG2  PRO  95           HG2      PRO  95 -13.676   5.994   2.568
  868    HG3  PRO  95           HG3      PRO  95 -14.553   7.333   1.755
  869    HD2  PRO  95           HD2      PRO  95 -13.362   5.358   0.344
  870    HD3  PRO  95           HD3      PRO  95 -13.324   7.046  -0.239
  871    H    SER  96           H        SER  96 -11.483   4.598   2.231
  872    HA   SER  96           HA       SER  96  -9.344   4.098   4.103
  873    HB2  SER  96           HB2      SER  96 -10.741   3.282   5.960
  874    HB3  SER  96           HB3      SER  96 -11.014   5.005   5.675
  875    HG   SER  96           HG       SER  96 -12.977   3.857   5.968
  876    H    PHE  97           H        PHE  97  -9.160   1.760   4.621
  877    HA   PHE  97           HA       PHE  97 -10.991  -0.109   3.298
  878    HB2  PHE  97           HB2      PHE  97  -9.392  -1.149   1.843
  879    HB3  PHE  97           HB3      PHE  97  -9.434   0.551   1.439
  880    HD1  PHE  97           HD2      PHE  97  -7.477  -2.163   2.919
  881    HD2  PHE  97           HD1      PHE  97  -7.434   1.993   1.819
  882    HE1  PHE  97           HE2      PHE  97  -5.020  -2.101   3.276
  883    HE2  PHE  97           HE1      PHE  97  -4.964   2.046   2.127
  884    HZ   PHE  97           HZ       PHE  97  -3.755  -0.031   2.851
  885    H    SER  98           H        SER  98 -10.581  -2.321   3.924
  886    HA   SER  98           HA       SER  98  -9.175  -2.630   6.524
  887    HB2  SER  98           HB2      SER  98 -11.449  -3.396   6.485
  888    HB3  SER  98           HB3      SER  98 -11.141  -4.393   5.049
  889    HG   SER  98           HG       SER  98 -11.067  -5.499   7.135
  890    H    VAL  99           H        VAL  99  -7.292  -3.625   6.717
  891    HA   VAL  99           HA       VAL  99  -5.794  -4.736   4.504
  892    HB   VAL  99           HB       VAL  99  -5.133  -4.996   7.411
  893   HG11  VAL  99          HG11      VAL  99  -2.802  -5.027   6.566
  894   HG12  VAL  99          HG12      VAL  99  -3.735  -6.380   5.926
  895   HG13  VAL  99          HG13      VAL  99  -3.417  -4.964   4.899
  896   HG21  VAL  99          HG21      VAL  99  -5.474  -2.587   6.915
  897   HG22  VAL  99          HG22      VAL  99  -3.780  -2.967   7.184
  898   HG23  VAL  99          HG23      VAL  99  -4.371  -2.725   5.526
  899    H    LYS 100           H        LYS 100  -7.865  -6.080   6.953
  900    HA   LYS 100           HA       LYS 100  -7.145  -8.872   6.708
  901    HB2  LYS 100           HB2      LYS 100  -8.305  -7.826   8.618
  902    HB3  LYS 100           HB3      LYS 100  -9.695  -7.462   7.595
  903    HG2  LYS 100           HG2      LYS 100 -10.094  -9.896   7.265
  904    HG3  LYS 100           HG3      LYS 100  -8.752 -10.253   8.362
  905    HD2  LYS 100           HD2      LYS 100 -11.242  -8.626   9.065
  906    HD3  LYS 100           HD3      LYS 100 -11.026 -10.339   9.437
  907    HE2  LYS 100           HE2      LYS 100  -9.194  -9.883  10.946
  908    HE3  LYS 100           HE3      LYS 100  -9.123  -8.186  10.458
  909    HZ1  LYS 100           HZ1      LYS 100 -11.275  -7.821  11.439
  910    HZ2  LYS 100           HZ2      LYS 100 -10.301  -8.500  12.563
  911    HZ3  LYS 100           HZ3      LYS 100 -11.448  -9.406  11.835
  912    H    GLU 101           H        GLU 101  -9.248  -6.778   4.827
  913    HA   GLU 101           HA       GLU 101 -10.473  -8.958   3.296
  914    HB2  GLU 101           HB2      GLU 101 -10.617  -5.938   3.012
  915    HB3  GLU 101           HB3      GLU 101 -11.505  -7.103   2.010
  916    HG2  GLU 101           HG2      GLU 101 -12.613  -8.029   4.001
  917    HG3  GLU 101           HG3      GLU 101 -11.764  -6.880   5.036
  918    H    HIS 102           H        HIS 102  -8.025  -9.616   2.994
  919    HA   HIS 102           HA       HIS 102  -6.238  -8.348   1.388
  920    HB2  HIS 102           HB2      HIS 102  -6.720 -11.346   1.364
  921    HB3  HIS 102           HB3      HIS 102  -5.219 -10.537   0.964
  922    HD1  HIS 102           HD1      HIS 102  -4.483  -8.847   3.382
  923    HD2  HIS 102           HD2      HIS 102  -6.499 -12.523   3.644
  924    HE1  HIS 102           HE1      HIS 102  -3.877  -9.825   5.644
  925    H    ARG 103           H        ARG 103  -8.854 -10.403   0.094
  926    HA   ARG 103           HA       ARG 103  -8.040 -10.500  -2.634
  927    HB2  ARG 103           HB2      ARG 103  -9.710 -11.969  -1.687
  928    HB3  ARG 103           HB3      ARG 103 -10.811 -10.639  -1.358
  929    HG2  ARG 103           HG2      ARG 103  -9.921 -11.216  -4.204
  930    HG3  ARG 103           HG3      ARG 103 -11.141 -12.227  -3.429
  931    HD2  ARG 103           HD2      ARG 103 -12.563 -10.273  -3.000
  932    HD3  ARG 103           HD3      ARG 103 -11.400  -9.218  -3.823
  933    HE   ARG 103           HE       ARG 103 -11.909 -11.170  -5.695
  934   HH11  ARG 103          HH11      ARG 103 -14.015  -8.950  -3.980
  935   HH12  ARG 103          HH12      ARG 103 -15.192  -8.943  -5.264
  936   HH21  ARG 103          HH21      ARG 103 -13.456 -11.113  -7.284
  937   HH22  ARG 103          HH22      ARG 103 -14.875 -10.130  -7.080
  938    H    LYS 104           H        LYS 104  -9.951  -8.026  -0.965
  939    HA   LYS 104           HA       LYS 104 -10.516  -6.454  -3.365
  940    HB2  LYS 104           HB2      LYS 104 -10.694  -5.843  -0.390
  941    HB3  LYS 104           HB3      LYS 104 -11.083  -4.666  -1.651
  942    HG2  LYS 104           HG2      LYS 104 -12.871  -6.028  -2.526
  943    HG3  LYS 104           HG3      LYS 104 -12.407  -7.405  -1.523
  944    HD2  LYS 104           HD2      LYS 104 -14.391  -6.318  -0.616
  945    HD3  LYS 104           HD3      LYS 104 -13.033  -6.224   0.507
  946    HE2  LYS 104           HE2      LYS 104 -12.594  -3.875  -0.287
  947    HE3  LYS 104           HE3      LYS 104 -14.039  -3.982  -1.305
  948    HZ1  LYS 104           HZ1      LYS 104 -15.341  -4.335   0.733
  949    HZ2  LYS 104           HZ2      LYS 104 -14.496  -2.940   0.866
  950    HZ3  LYS 104           HZ3      LYS 104 -13.985  -4.286   1.656
  951    H    ILE 105           H        ILE 105  -7.983  -6.280  -0.830
  952    HA   ILE 105           HA       ILE 105  -6.694  -3.971  -1.957
  953    HB   ILE 105           HB       ILE 105  -5.593  -6.203  -0.224
  954   HG12  ILE 105          HG12      ILE 105  -6.280  -3.273   0.339
  955   HG13  ILE 105          HG13      ILE 105  -7.354  -4.627   0.694
  956   HG21  ILE 105          HG21      ILE 105  -3.703  -5.259  -1.518
  957   HG22  ILE 105          HG22      ILE 105  -4.243  -3.610  -1.128
  958   HG23  ILE 105          HG23      ILE 105  -3.616  -4.688   0.133
  959   HD11  ILE 105          HD11      ILE 105  -5.667  -5.584   2.235
  960   HD12  ILE 105          HD12      ILE 105  -4.649  -4.130   1.987
  961   HD13  ILE 105          HD13      ILE 105  -6.252  -3.982   2.685
  962    H    TYR 106           H        TYR 106  -6.057  -7.497  -2.589
  963    HA   TYR 106           HA       TYR 106  -3.921  -7.022  -4.330
  964    HB2  TYR 106           HB2      TYR 106  -6.017  -9.220  -4.577
  965    HB3  TYR 106           HB3      TYR 106  -4.451  -9.225  -5.368
  966    HD1  TYR 106           HD2      TYR 106  -2.628  -8.364  -3.086
  967    HD2  TYR 106           HD1      TYR 106  -5.918 -11.155  -3.301
  968    HE1  TYR 106           HE2      TYR 106  -1.655  -9.666  -1.212
  969    HE2  TYR 106           HE1      TYR 106  -4.925 -12.461  -1.434
  970    HH   TYR 106           HH       TYR 106  -1.780 -11.629  -0.011
  971    H    THR 107           H        THR 107  -7.393  -7.144  -5.312
  972    HA   THR 107           HA       THR 107  -6.734  -6.667  -8.067
  973    HB   THR 107           HB       THR 107  -8.851  -7.715  -7.194
  974    HG1  THR 107           HG1      THR 107  -9.908  -7.024  -9.038
  975   HG21  THR 107          HG21      THR 107  -9.786  -4.808  -7.161
  976   HG22  THR 107          HG22      THR 107  -9.585  -5.837  -5.726
  977   HG23  THR 107          HG23      THR 107 -10.792  -6.260  -6.949
  978    H    MET 108           H        MET 108  -7.550  -4.345  -5.483
  979    HA   MET 108           HA       MET 108  -7.471  -2.012  -7.181
  980    HB2  MET 108           HB2      MET 108  -6.865  -2.297  -4.211
  981    HB3  MET 108           HB3      MET 108  -7.048  -0.776  -5.108
  982    HG2  MET 108           HG2      MET 108  -9.364  -1.385  -5.694
  983    HG3  MET 108           HG3      MET 108  -9.244  -2.819  -4.689
  984    HE1  MET 108           HE1      MET 108  -8.855  -1.152  -1.049
  985    HE2  MET 108           HE2      MET 108  -8.973  -2.693  -1.928
  986    HE3  MET 108           HE3      MET 108  -7.535  -1.663  -2.111
  987    H    MET 109           H        MET 109  -4.944  -3.710  -5.300
  988    HA   MET 109           HA       MET 109  -2.918  -1.736  -5.883
  989    HB2  MET 109           HB2      MET 109  -1.692  -2.793  -4.324
  990    HB3  MET 109           HB3      MET 109  -3.240  -3.351  -3.840
  991    HG2  MET 109           HG2      MET 109  -2.023  -5.268  -3.695
  992    HG3  MET 109           HG3      MET 109  -2.687  -5.459  -5.309
  993    HE1  MET 109           HE1      MET 109   1.678  -4.309  -4.222
  994    HE2  MET 109           HE2      MET 109   0.489  -3.004  -4.426
  995    HE3  MET 109           HE3      MET 109   0.252  -4.217  -3.161
  996    H    ALA 110           H        ALA 110  -3.814  -4.861  -7.389
  997    HA   ALA 110           HA       ALA 110  -1.548  -4.983  -9.161
  998    HB1  ALA 110           HB1      ALA 110  -4.387  -6.072  -9.432
  999    HB2  ALA 110           HB2      ALA 110  -2.996  -6.543 -10.438
 1000    HB3  ALA 110           HB3      ALA 110  -2.997  -6.911  -8.703
 1001    H    SER 111           H        SER 111  -4.694  -3.320  -9.375
 1002    HA   SER 111           HA       SER 111  -4.469  -2.386 -12.066
 1003    HB2  SER 111           HB2      SER 111  -5.956  -1.176  -9.701
 1004    HB3  SER 111           HB3      SER 111  -6.142  -0.692 -11.391
 1005    HG   SER 111           HG       SER 111  -6.795  -3.185 -10.194
 1006    H    MET 112           H        MET 112  -2.697  -1.353  -9.260
 1007    HA   MET 112           HA       MET 112  -1.944   1.260 -10.343
 1008    HB2  MET 112           HB2      MET 112  -0.591  -0.330  -8.134
 1009    HB3  MET 112           HB3      MET 112  -0.413   1.389  -8.479
 1010    HG2  MET 112           HG2      MET 112  -2.762   1.790  -7.877
 1011    HG3  MET 112           HG3      MET 112  -2.980   0.065  -7.563
 1012    HE1  MET 112           HE1      MET 112  -3.263   1.423  -3.998
 1013    HE2  MET 112           HE2      MET 112  -3.992   1.859  -5.563
 1014    HE3  MET 112           HE3      MET 112  -3.830   0.156  -5.111
 1015    H    THR 113           H        THR 113  -1.160  -1.819 -11.316
 1016    HA   THR 113           HA       THR 113   1.558  -1.075 -12.230
 1017    HB   THR 113           HB       THR 113   2.499  -3.050 -11.641
 1018    HG1  THR 113           HG1      THR 113  -0.116  -4.064 -11.282
 1019   HG21  THR 113          HG21      THR 113   2.001  -1.714  -9.594
 1020   HG22  THR 113          HG22      THR 113   2.066  -3.448  -9.269
 1021   HG23  THR 113          HG23      THR 113   0.501  -2.641  -9.371
 1022    H    GLY 114           H        GLY 114  -1.196  -1.283 -13.604
 1023    HA2  GLY 114           HA2      GLY 114  -0.118  -2.125 -16.207
 1024    HA3  GLY 114           HA3      GLY 114  -1.473  -3.083 -15.603
 1025    H    GLY 115           H        GLY 115  -2.435  -2.245 -17.652
 1026    HA2  GLY 115           HA2      GLY 115  -3.095   0.516 -18.048
 1027    HA3  GLY 115           HA3      GLY 115  -3.843  -0.857 -18.855
 1028    H    GLN 116           H        GLN 116  -5.076   1.592 -17.929
 1029    HA   GLN 116           HA       GLN 116  -7.390   0.490 -16.519
 1030    HB2  GLN 116           HB2      GLN 116  -7.414   2.198 -14.773
 1031    HB3  GLN 116           HB3      GLN 116  -6.014   1.153 -14.601
 1032    HG2  GLN 116           HG2      GLN 116  -4.492   2.837 -15.269
 1033    HG3  GLN 116           HG3      GLN 116  -5.731   3.797 -16.073
 1034   HE21  GLN 116          HE21      GLN 116  -7.395   4.912 -14.689
 1035   HE22  GLN 116          HE22      GLN 116  -6.938   5.319 -13.037
 1036    H    GLN 117           H        GLN 117  -9.194   2.072 -16.418
 1037    HA   GLN 117           HA       GLN 117  -9.545   3.660 -18.805
 1038    HB2  GLN 117           HB2      GLN 117 -11.129   3.642 -16.193
 1039    HB3  GLN 117           HB3      GLN 117 -11.593   4.450 -17.682
 1040    HG2  GLN 117           HG2      GLN 117 -12.847   2.496 -17.734
 1041    HG3  GLN 117           HG3      GLN 117 -11.524   2.172 -18.843
 1042   HE21  GLN 117          HE21      GLN 117 -12.474  -0.112 -18.354
 1043   HE22  GLN 117          HE22      GLN 117 -11.750  -0.951 -16.987
 1044    H    MET 118           H        MET 118  -9.539   5.897 -19.065
 1045    HA   MET 118           HA       MET 118  -8.573   7.651 -16.892
 1046    HB2  MET 118           HB2      MET 118  -6.624   6.454 -18.068
 1047    HB3  MET 118           HB3      MET 118  -6.984   7.450 -19.477
 1048    HG2  MET 118           HG2      MET 118  -6.564   9.486 -18.156
 1049    HG3  MET 118           HG3      MET 118  -6.381   8.531 -16.687
 1050    HE1  MET 118           HE1      MET 118  -4.314   7.153 -16.017
 1051    HE2  MET 118           HE2      MET 118  -4.477   6.086 -17.431
 1052    HE3  MET 118           HE3      MET 118  -2.914   6.839 -17.064
 1053    H    GLY 119           H        GLY 119 -11.071   7.526 -18.272
 1054    HA2  GLY 119           HA2      GLY 119 -11.637  10.239 -18.830
 1055    HA3  GLY 119           HA3      GLY 119 -11.386   9.442 -20.385
  Start of MODEL   14
    1    H1   MET -11           H1       MET -11   0.966  -3.791  21.791
    2    H2   MET -11           H2       MET -11   1.187  -2.172  21.753
    3    H3   MET -11           H3       MET -11   2.219  -3.113  22.605
    4    HA   MET -11           HA       MET -11   3.247  -2.401  20.558
    5    HB2  MET -11           HB2      MET -11   2.591  -5.377  20.635
    6    HB3  MET -11           HB3      MET -11   3.813  -4.648  19.592
    7    HG2  MET -11           HG2      MET -11   3.835  -4.664  22.628
    8    HG3  MET -11           HG3      MET -11   4.863  -5.596  21.547
    9    HE1  MET -11           HE1      MET -11   6.031  -3.942  23.953
   10    HE2  MET -11           HE2      MET -11   7.032  -4.860  22.804
   11    HE3  MET -11           HE3      MET -11   7.438  -3.172  23.188
   12    HA   PRO -10           HA       PRO -10   0.784  -1.743  17.004
   13    HB2  PRO -10           HB2      PRO -10   3.123  -2.680  15.346
   14    HB3  PRO -10           HB3      PRO -10   2.146  -1.186  15.184
   15    HG2  PRO -10           HG2      PRO -10   4.590  -1.084  16.340
   16    HG3  PRO -10           HG3      PRO -10   3.219  -0.198  17.087
   17    HD2  PRO -10           HD2      PRO -10   4.339  -2.915  17.850
   18    HD3  PRO -10           HD3      PRO -10   3.942  -1.522  18.901
   19    H    ARG  -9           H        ARG  -9  -0.631  -2.756  15.717
   20    HA   ARG  -9           HA       ARG  -9  -0.505  -5.741  15.376
   21    HB2  ARG  -9           HB2      ARG  -9  -2.810  -3.809  15.752
   22    HB3  ARG  -9           HB3      ARG  -9  -3.035  -5.503  15.316
   23    HG2  ARG  -9           HG2      ARG  -9  -2.094  -6.278  17.376
   24    HG3  ARG  -9           HG3      ARG  -9  -1.510  -4.671  17.823
   25    HD2  ARG  -9           HD2      ARG  -9  -4.448  -5.369  17.481
   26    HD3  ARG  -9           HD3      ARG  -9  -3.592  -5.410  19.025
   27    HE   ARG  -9           HE       ARG  -9  -3.061  -2.966  18.653
   28   HH11  ARG  -9          HH11      ARG  -9  -6.084  -4.272  17.392
   29   HH12  ARG  -9          HH12      ARG  -9  -6.843  -2.688  17.464
   30   HH21  ARG  -9          HH21      ARG  -9  -4.163  -1.024  18.674
   31   HH22  ARG  -9          HH22      ARG  -9  -5.811  -0.974  18.096
   32    H    PHE  -8           H        PHE  -8  -0.720  -2.792  13.544
   33    HA   PHE  -8           HA       PHE  -8  -2.026  -3.701  11.244
   34    HB2  PHE  -8           HB2      PHE  -8  -1.712  -1.409  11.387
   35    HB3  PHE  -8           HB3      PHE  -8   0.011  -1.555  11.678
   36    HD1  PHE  -8           HD2      PHE  -8  -2.609  -1.744   9.051
   37    HD2  PHE  -8           HD1      PHE  -8   1.623  -1.769   9.873
   38    HE1  PHE  -8           HE2      PHE  -8  -2.130  -1.500   6.626
   39    HE2  PHE  -8           HE1      PHE  -8   2.091  -1.538   7.442
   40    HZ   PHE  -8           HZ       PHE  -8   0.216  -1.404   5.822
   41    H    TRP  -7           H        TRP  -7   1.485  -3.948  11.804
   42    HA   TRP  -7           HA       TRP  -7   2.010  -4.851   9.168
   43    HB2  TRP  -7           HB2      TRP  -7   3.659  -3.735  10.503
   44    HB3  TRP  -7           HB3      TRP  -7   3.677  -5.045  11.676
   45    HD1  TRP  -7           HD1      TRP  -7   5.160  -7.108  11.183
   46    HE1  TRP  -7           HE1      TRP  -7   6.779  -7.814   9.321
   47    HE3  TRP  -7           HE3      TRP  -7   3.979  -3.546   7.702
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.419  -6.991   6.630
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.087  -3.567   5.469
   50    HH2  TRP  -7           HH2      TRP  -7   6.791  -5.275   4.925
   51    H    GLU  -6           H        GLU  -6   1.188  -6.779  12.038
   52    HA   GLU  -6           HA       GLU  -6   1.891  -9.340  10.896
   53    HB2  GLU  -6           HB2      GLU  -6  -0.244  -8.612  12.954
   54    HB3  GLU  -6           HB3      GLU  -6   0.280 -10.254  12.542
   55    HG2  GLU  -6           HG2      GLU  -6   2.626  -9.609  13.204
   56    HG3  GLU  -6           HG3      GLU  -6   1.995  -8.065  13.786
   57    H    TYR  -5           H        TYR  -5  -1.089  -7.360  10.719
   58    HA   TYR  -5           HA       TYR  -5  -2.466  -9.186   8.957
   59    HB2  TYR  -5           HB2      TYR  -5  -2.966  -6.357   9.808
   60    HB3  TYR  -5           HB3      TYR  -5  -3.786  -7.009   8.406
   61    HD1  TYR  -5           HD1      TYR  -5  -5.134  -9.109   8.551
   62    HD2  TYR  -5           HD2      TYR  -5  -3.772  -6.950  12.032
   63    HE1  TYR  -5           HE1      TYR  -5  -6.873 -10.228   9.924
   64    HE2  TYR  -5           HE2      TYR  -5  -5.547  -8.044  13.401
   65    HH   TYR  -5           HH       TYR  -5  -7.264  -9.569  13.428
   66    H    TRP  -4           H        TRP  -4  -0.412  -6.374   8.305
   67    HA   TRP  -4           HA       TRP  -4  -0.855  -6.398   5.472
   68    HB2  TRP  -4           HB2      TRP  -4  -0.016  -4.502   6.924
   69    HB3  TRP  -4           HB3      TRP  -4   1.549  -5.319   6.990
   70    HD1  TRP  -4           HD1      TRP  -4   3.021  -5.305   4.800
   71    HE1  TRP  -4           HE1      TRP  -4   2.855  -4.128   2.518
   72    HE3  TRP  -4           HE3      TRP  -4  -1.789  -3.601   5.108
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.825  -2.863   0.936
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.858  -2.518   3.146
   75    HH2  TRP  -4           HH2      TRP  -4  -1.569  -2.131   1.061
   76    H    LEU  -3           H        LEU  -3   1.668  -7.989   7.470
   77    HA   LEU  -3           HA       LEU  -3   3.232  -8.997   5.333
   78    HB2  LEU  -3           HB2      LEU  -3   3.807  -8.840   7.806
   79    HB3  LEU  -3           HB3      LEU  -3   2.755 -10.231   8.070
   80    HG   LEU  -3           HG       LEU  -3   4.287 -11.483   6.373
   81   HD11  LEU  -3          HD11      LEU  -3   6.119  -9.152   7.090
   82   HD12  LEU  -3          HD12      LEU  -3   5.392  -9.383   5.494
   83   HD13  LEU  -3          HD13      LEU  -3   6.545 -10.577   6.115
   84   HD21  LEU  -3          HD21      LEU  -3   5.425 -10.517   9.029
   85   HD22  LEU  -3          HD22      LEU  -3   5.975 -11.942   8.114
   86   HD23  LEU  -3          HD23      LEU  -3   4.339 -11.902   8.791
   87    H    ARG  -2           H        ARG  -2   0.242 -10.196   6.750
   88    HA   ARG  -2           HA       ARG  -2   0.242 -12.867   5.679
   89    HB2  ARG  -2           HB2      ARG  -2  -1.161 -11.846   7.597
   90    HB3  ARG  -2           HB3      ARG  -2  -2.128 -11.066   6.351
   91    HG2  ARG  -2           HG2      ARG  -2  -3.345 -12.932   7.018
   92    HG3  ARG  -2           HG3      ARG  -2  -2.678 -13.369   5.444
   93    HD2  ARG  -2           HD2      ARG  -2  -0.916 -14.690   6.543
   94    HD3  ARG  -2           HD3      ARG  -2  -1.510 -14.195   8.141
   95    HE   ARG  -2           HE       ARG  -2  -3.750 -15.276   7.235
   96   HH11  ARG  -2          HH11      ARG  -2  -0.542 -16.689   6.968
   97   HH12  ARG  -2          HH12      ARG  -2  -1.210 -18.250   6.527
   98   HH21  ARG  -2          HH21      ARG  -2  -4.471 -17.352   6.824
   99   HH22  ARG  -2          HH22      ARG  -2  -3.297 -18.595   6.462
  100    H    LEU  -1           H        LEU  -1  -0.672  -9.748   4.298
  101    HA   LEU  -1           HA       LEU  -1  -1.988 -10.744   1.928
  102    HB2  LEU  -1           HB2      LEU  -1  -0.459  -8.169   2.444
  103    HB3  LEU  -1           HB3      LEU  -1  -1.371  -8.493   0.984
  104    HG   LEU  -1           HG       LEU  -1  -2.585  -8.295   3.775
  105   HD11  LEU  -1          HD11      LEU  -1  -3.456  -6.143   2.856
  106   HD12  LEU  -1          HD12      LEU  -1  -2.463  -6.376   1.409
  107   HD13  LEU  -1          HD13      LEU  -1  -1.689  -6.158   2.989
  108   HD21  LEU  -1          HD21      LEU  -1  -3.873  -8.483   1.005
  109   HD22  LEU  -1          HD22      LEU  -1  -4.733  -8.147   2.528
  110   HD23  LEU  -1          HD23      LEU  -1  -3.955  -9.709   2.291
  111    H    MET   0           H        MET   0   1.415  -9.610   2.448
  112    HA   MET   0           HA       MET   0   2.149 -10.178  -0.257
  113    HB2  MET   0           HB2      MET   0   4.379  -9.621   0.367
  114    HB3  MET   0           HB3      MET   0   3.288  -8.519   1.181
  115    HG2  MET   0           HG2      MET   0   3.652  -9.536   3.293
  116    HG3  MET   0           HG3      MET   0   4.368 -10.984   2.591
  117    HE1  MET   0           HE1      MET   0   6.488  -6.926   2.924
  118    HE2  MET   0           HE2      MET   0   5.294  -7.226   1.636
  119    HE3  MET   0           HE3      MET   0   4.796  -7.258   3.362
  120    H    GLU   1           H        GLU   1   2.267 -12.230   2.615
  121    HA   GLU   1           HA       GLU   1   3.699 -14.398   1.259
  122    HB2  GLU   1           HB2      GLU   1   2.183 -14.195   3.890
  123    HB3  GLU   1           HB3      GLU   1   2.974 -15.668   3.361
  124    HG2  GLU   1           HG2      GLU   1   4.339 -12.990   3.888
  125    HG3  GLU   1           HG3      GLU   1   4.387 -14.408   4.923
  126    H    GLY   2           H        GLY   2   0.475 -13.331   1.070
  127    HA2  GLY   2           HA2      GLY   2  -0.723 -15.956   0.415
  128    HA3  GLY   2           HA3      GLY   2  -1.530 -14.401   0.534
  129    H    GLY   3           H        GLY   3  -2.428 -13.962  -1.358
  130    HA2  GLY   3           HA2      GLY   3  -2.610 -13.275  -3.535
  131    HA3  GLY   3           HA3      GLY   3  -0.878 -13.516  -3.738
  132    H    GLY   4           H        GLY   4  -2.363 -16.425  -2.740
  133    HA2  GLY   4           HA2      GLY   4  -1.919 -17.728  -5.284
  134    HA3  GLY   4           HA3      GLY   4  -2.609 -18.468  -3.852
  135    H    GLU   5           H        GLU   5  -3.458 -19.039  -6.431
  136    HA   GLU   5           HA       GLU   5  -5.533 -17.402  -7.435
  137    HB2  GLU   5           HB2      GLU   5  -5.894 -19.135  -9.057
  138    HB3  GLU   5           HB3      GLU   5  -4.165 -18.923  -8.774
  139    HG2  GLU   5           HG2      GLU   5  -4.216 -20.935  -7.257
  140    HG3  GLU   5           HG3      GLU   5  -5.918 -21.165  -7.669
  141    H    ASN   6           H        ASN   6  -5.867 -19.636  -4.810
  142    HA   ASN   6           HA       ASN   6  -8.466 -20.626  -5.220
  143    HB2  ASN   6           HB2      ASN   6  -6.935 -19.953  -2.681
  144    HB3  ASN   6           HB3      ASN   6  -8.554 -20.638  -2.647
  145   HD21  ASN   6          HD21      ASN   6  -8.855 -22.821  -2.986
  146   HD22  ASN   6          HD22      ASN   6  -7.513 -23.906  -3.352
  147    H    LEU   7           H        LEU   7  -7.590 -17.364  -4.183
  148    HA   LEU   7           HA       LEU   7 -10.249 -16.573  -3.331
  149    HB2  LEU   7           HB2      LEU   7  -7.810 -15.019  -4.283
  150    HB3  LEU   7           HB3      LEU   7  -9.273 -14.238  -3.692
  151    HG   LEU   7           HG       LEU   7  -7.684 -16.222  -2.010
  152   HD11  LEU   7          HD11      LEU   7  -6.278 -14.304  -2.599
  153   HD12  LEU   7          HD12      LEU   7  -6.731 -14.268  -0.885
  154   HD13  LEU   7          HD13      LEU   7  -7.548 -13.185  -2.044
  155   HD21  LEU   7          HD21      LEU   7 -10.003 -15.885  -1.234
  156   HD22  LEU   7          HD22      LEU   7  -9.775 -14.122  -1.278
  157   HD23  LEU   7          HD23      LEU   7  -8.860 -15.121  -0.126
  158    H    TYR   8           H        TYR   8  -8.823 -16.990  -6.478
  159    HA   TYR   8           HA       TYR   8 -11.066 -15.526  -7.777
  160    HB2  TYR   8           HB2      TYR   8  -8.293 -16.189  -8.774
  161    HB3  TYR   8           HB3      TYR   8  -9.575 -15.531  -9.779
  162    HD1  TYR   8           HD2      TYR   8 -10.614 -13.268  -9.211
  163    HD2  TYR   8           HD1      TYR   8  -7.018 -14.741  -7.333
  164    HE1  TYR   8           HE2      TYR   8 -10.037 -10.950  -8.481
  165    HE2  TYR   8           HE1      TYR   8  -6.446 -12.430  -6.610
  166    HH   TYR   8           HH       TYR   8  -7.011 -10.221  -6.715
  167    H    PHE   9           H        PHE   9  -9.686 -18.687  -7.461
  168    HA   PHE   9           HA       PHE   9 -11.780 -19.823  -9.232
  169    HB2  PHE   9           HB2      PHE   9  -8.829 -20.465  -9.233
  170    HB3  PHE   9           HB3      PHE   9 -10.047 -21.501  -9.953
  171    HD1  PHE   9           HD2      PHE   9 -11.424 -20.725 -11.907
  172    HD2  PHE   9           HD1      PHE   9  -8.116 -18.431 -10.356
  173    HE1  PHE   9           HE2      PHE   9 -11.343 -19.409 -14.016
  174    HE2  PHE   9           HE1      PHE   9  -8.039 -17.116 -12.463
  175    HZ   PHE   9           HZ       PHE   9  -9.652 -17.605 -14.296
  176    H    GLN  10           H        GLN  10 -12.960 -21.366  -8.476
  177    HA   GLN  10           HA       GLN  10 -13.893 -22.968  -7.262
  178    HB2  GLN  10           HB2      GLN  10 -11.044 -23.962  -6.954
  179    HB3  GLN  10           HB3      GLN  10 -12.502 -24.885  -6.576
  180    HG2  GLN  10           HG2      GLN  10 -13.282 -24.580  -8.943
  181    HG3  GLN  10           HG3      GLN  10 -11.741 -23.805  -9.323
  182   HE21  GLN  10          HE21      GLN  10 -12.266 -25.906 -10.879
  183   HE22  GLN  10          HE22      GLN  10 -11.352 -27.319 -10.367
  184    H    GLY  11           H        GLY  11 -11.640 -21.109  -5.307
  185    HA2  GLY  11           HA2      GLY  11 -11.923 -20.370  -3.122
  186    HA3  GLY  11           HA3      GLY  11 -13.509 -21.122  -3.095
  187    H    MET  12           H        MET  12 -13.752 -22.769  -1.808
  188    HA   MET  12           HA       MET  12 -13.545 -24.373  -0.299
  189    HB2  MET  12           HB2      MET  12 -12.721 -25.674  -2.152
  190    HB3  MET  12           HB3      MET  12 -11.059 -25.166  -1.826
  191    HG2  MET  12           HG2      MET  12 -11.076 -26.305   0.335
  192    HG3  MET  12           HG3      MET  12 -12.790 -26.680   0.152
  193    HE1  MET  12           HE1      MET  12  -9.326 -28.697  -2.185
  194    HE2  MET  12           HE2      MET  12  -9.770 -27.008  -2.501
  195    HE3  MET  12           HE3      MET  12  -9.130 -27.478  -0.908
  196    H    SER  13           H        SER  13 -10.302 -22.857  -0.563
  197    HA   SER  13           HA       SER  13 -10.239 -22.464   2.378
  198    HB2  SER  13           HB2      SER  13  -8.044 -23.943   0.871
  199    HB3  SER  13           HB3      SER  13  -7.975 -23.419   2.563
  200    HG   SER  13           HG       SER  13  -9.659 -24.843   3.050
  201    H    VAL  14           H        VAL  14  -8.531 -21.083   3.097
  202    HA   VAL  14           HA       VAL  14  -7.907 -18.838   1.435
  203    HB   VAL  14           HB       VAL  14  -6.506 -19.615   4.010
  204   HG11  VAL  14          HG11      VAL  14  -6.230 -17.192   4.314
  205   HG12  VAL  14          HG12      VAL  14  -5.458 -17.710   2.821
  206   HG13  VAL  14          HG13      VAL  14  -7.032 -16.881   2.765
  207   HG21  VAL  14          HG21      VAL  14  -9.124 -18.116   3.641
  208   HG22  VAL  14          HG22      VAL  14  -8.891 -19.671   4.480
  209   HG23  VAL  14          HG23      VAL  14  -8.203 -18.197   5.160
  210    HA   PRO  15           HA       PRO  15  -4.399 -20.646  -0.707
  211    HB2  PRO  15           HB2      PRO  15  -3.119 -18.383  -1.621
  212    HB3  PRO  15           HB3      PRO  15  -4.617 -19.050  -2.341
  213    HG2  PRO  15           HG2      PRO  15  -4.354 -16.806  -0.313
  214    HG3  PRO  15           HG3      PRO  15  -5.321 -16.830  -1.823
  215    HD2  PRO  15           HD2      PRO  15  -6.466 -17.358   0.567
  216    HD3  PRO  15           HD3      PRO  15  -6.925 -18.308  -0.873
  217    H    THR  16           H        THR  16  -3.871 -18.087   1.691
  218    HA   THR  16           HA       THR  16  -1.126 -18.609   2.114
  219    HB   THR  16           HB       THR  16  -2.665 -17.112   4.166
  220    HG1  THR  16           HG1      THR  16  -2.614 -15.326   2.798
  221   HG21  THR  16          HG21      THR  16  -0.674 -15.666   4.045
  222   HG22  THR  16          HG22      THR  16  -0.054 -16.623   2.679
  223   HG23  THR  16          HG23      THR  16  -0.173 -17.358   4.278
  224    H    ASP  17           H        ASP  17  -1.596 -20.998   2.278
  225    HA   ASP  17           HA       ASP  17  -1.382 -21.832   5.124
  226    HB2  ASP  17           HB2      ASP  17  -3.749 -21.998   4.566
  227    HB3  ASP  17           HB3      ASP  17  -3.373 -22.936   3.121
  228    H    GLY  18           H        GLY  18  -0.491 -23.967   5.442
  229    HA2  GLY  18           HA2      GLY  18   1.020 -25.657   5.077
  230    HA3  GLY  18           HA3      GLY  18   0.756 -25.481   3.342
  231    H    ALA  19           H        ALA  19   1.823 -22.529   4.652
  232    HA   ALA  19           HA       ALA  19   4.365 -22.632   3.310
  233    HB1  ALA  19           HB1      ALA  19   4.611 -20.343   4.197
  234    HB2  ALA  19           HB2      ALA  19   2.999 -20.589   3.500
  235    HB3  ALA  19           HB3      ALA  19   3.217 -20.594   5.267
  236    H    VAL  20           H        VAL  20   6.462 -22.345   4.193
  237    HA   VAL  20           HA       VAL  20   7.098 -23.957   6.490
  238    HB   VAL  20           HB       VAL  20   9.025 -22.062   5.137
  239   HG11  VAL  20          HG11      VAL  20   9.886 -23.130   7.180
  240   HG12  VAL  20          HG12      VAL  20   9.401 -24.732   6.570
  241   HG13  VAL  20          HG13      VAL  20  10.677 -23.800   5.763
  242   HG21  VAL  20          HG21      VAL  20   8.244 -24.865   4.241
  243   HG22  VAL  20          HG22      VAL  20   8.035 -23.358   3.318
  244   HG23  VAL  20          HG23      VAL  20   9.656 -23.959   3.656
  245    H    THR  21           H        THR  21   7.809 -23.432   8.542
  246    HA   THR  21           HA       THR  21   6.992 -20.915   9.641
  247    HB   THR  21           HB       THR  21   7.426 -21.618  11.723
  248    HG1  THR  21           HG1      THR  21   8.922 -23.196  12.255
  249   HG21  THR  21          HG21      THR  21   5.811 -23.197  10.608
  250   HG22  THR  21          HG22      THR  21   6.670 -23.892  11.990
  251   HG23  THR  21          HG23      THR  21   7.161 -24.327  10.342
  252    H    THR  22           H        THR  22   8.299 -19.432  10.956
  253    HA   THR  22           HA       THR  22   9.991 -18.183   9.126
  254    HB   THR  22           HB       THR  22  10.102 -16.327  10.373
  255    HG1  THR  22           HG1      THR  22   9.949 -16.265  12.602
  256   HG21  THR  22          HG21      THR  22   7.703 -16.972   9.971
  257   HG22  THR  22          HG22      THR  22   7.945 -15.905  11.361
  258   HG23  THR  22          HG23      THR  22   7.644 -17.633  11.625
  259    H    SER  23           H        SER  23  12.042 -17.622   8.898
  260    HA   SER  23           HA       SER  23  14.247 -17.901   8.740
  261    HB2  SER  23           HB2      SER  23  14.006 -18.080  11.753
  262    HB3  SER  23           HB3      SER  23  15.529 -17.844  10.878
  263    HG   SER  23           HG       SER  23  14.587 -15.854  11.515
  264    H    GLN  24           H        GLN  24  12.633 -20.669   9.066
  265    HA   GLN  24           HA       GLN  24  14.852 -22.481   9.681
  266    HB2  GLN  24           HB2      GLN  24  12.199 -23.120   8.332
  267    HB3  GLN  24           HB3      GLN  24  13.337 -24.258   9.052
  268    HG2  GLN  24           HG2      GLN  24  11.580 -22.226  10.458
  269    HG3  GLN  24           HG3      GLN  24  11.522 -23.975  10.589
  270   HE21  GLN  24          HE21      GLN  24  12.587 -21.173  12.139
  271   HE22  GLN  24          HE22      GLN  24  13.765 -21.935  13.214
  272    H    ILE  25           H        ILE  25  13.031 -21.802   6.683
  273    HA   ILE  25           HA       ILE  25  15.190 -22.662   4.961
  274    HB   ILE  25           HB       ILE  25  12.374 -22.244   4.803
  275   HG12  ILE  25          HG12      ILE  25  12.534 -23.532   2.742
  276   HG13  ILE  25          HG13      ILE  25  14.294 -23.383   2.807
  277   HG21  ILE  25          HG21      ILE  25  12.731 -20.040   3.813
  278   HG22  ILE  25          HG22      ILE  25  13.645 -20.795   2.487
  279   HG23  ILE  25          HG23      ILE  25  11.942 -21.190   2.731
  280   HD11  ILE  25          HD11      ILE  25  13.485 -25.575   3.633
  281   HD12  ILE  25          HD12      ILE  25  14.342 -24.694   4.906
  282   HD13  ILE  25          HD13      ILE  25  12.566 -24.759   4.909
  283    HA   PRO  26           HA       PRO  26  17.493 -19.011   4.437
  284    HB2  PRO  26           HB2      PRO  26  17.076 -19.201   1.452
  285    HB3  PRO  26           HB3      PRO  26  18.603 -18.991   2.369
  286    HG2  PRO  26           HG2      PRO  26  17.948 -21.425   1.388
  287    HG3  PRO  26           HG3      PRO  26  18.578 -21.290   3.065
  288    HD2  PRO  26           HD2      PRO  26  15.689 -21.512   2.158
  289    HD3  PRO  26           HD3      PRO  26  16.522 -22.419   3.441
  290    H    ALA  27           H        ALA  27  17.334 -16.780   4.290
  291    HA   ALA  27           HA       ALA  27  14.693 -15.653   4.153
  292    HB1  ALA  27           HB1      ALA  27  17.431 -14.325   4.374
  293    HB2  ALA  27           HB2      ALA  27  15.867 -13.570   4.745
  294    HB3  ALA  27           HB3      ALA  27  16.447 -14.923   5.732
  295    H    SER  28           H        SER  28  17.082 -16.078   1.660
  296    HA   SER  28           HA       SER  28  16.365 -13.818   0.009
  297    HB2  SER  28           HB2      SER  28  17.715 -14.995  -1.717
  298    HB3  SER  28           HB3      SER  28  18.559 -14.708  -0.188
  299    HG   SER  28           HG       SER  28  18.885 -16.841  -1.003
  300    H    GLU  29           H        GLU  29  15.140 -13.680  -1.798
  301    HA   GLU  29           HA       GLU  29  13.733 -15.914  -3.004
  302    HB2  GLU  29           HB2      GLU  29  11.472 -15.047  -2.644
  303    HB3  GLU  29           HB3      GLU  29  12.222 -15.561  -1.136
  304    HG2  GLU  29           HG2      GLU  29  12.727 -13.180  -0.578
  305    HG3  GLU  29           HG3      GLU  29  11.933 -12.676  -2.074
  306    H    GLN  30           H        GLN  30  12.524 -15.244  -4.943
  307    HA   GLN  30           HA       GLN  30  12.912 -12.520  -5.938
  308    HB2  GLN  30           HB2      GLN  30  15.062 -13.688  -6.478
  309    HB3  GLN  30           HB3      GLN  30  14.156 -14.904  -7.378
  310    HG2  GLN  30           HG2      GLN  30  15.151 -13.279  -8.896
  311    HG3  GLN  30           HG3      GLN  30  13.402 -13.160  -8.987
  312   HE21  GLN  30          HE21      GLN  30  16.355 -11.570  -7.692
  313   HE22  GLN  30          HE22      GLN  30  15.565 -10.030  -7.379
  314    H    GLU  31           H        GLU  31  11.526 -11.966  -7.617
  315    HA   GLU  31           HA       GLU  31   9.588 -13.908  -8.702
  316    HB2  GLU  31           HB2      GLU  31   8.845 -11.611  -6.847
  317    HB3  GLU  31           HB3      GLU  31   7.688 -12.319  -7.957
  318    HG2  GLU  31           HG2      GLU  31   9.085 -13.777  -5.681
  319    HG3  GLU  31           HG3      GLU  31   7.441 -13.168  -5.682
  320    H    THR  32           H        THR  32   8.050 -12.829 -10.273
  321    HA   THR  32           HA       THR  32   9.461 -11.326 -12.167
  322    HB   THR  32           HB       THR  32   6.480 -11.272 -12.227
  323    HG1  THR  32           HG1      THR  32   6.482 -13.370 -12.989
  324   HG21  THR  32          HG21      THR  32   8.621 -11.796 -14.339
  325   HG22  THR  32          HG22      THR  32   7.714 -10.280 -14.118
  326   HG23  THR  32          HG23      THR  32   6.867 -11.744 -14.624
  327    H    LEU  33           H        LEU  33   9.662  -9.257 -12.803
  328    HA   LEU  33           HA       LEU  33   8.906  -7.129 -10.952
  329    HB2  LEU  33           HB2      LEU  33  10.189  -7.034 -13.707
  330    HB3  LEU  33           HB3      LEU  33  10.000  -5.652 -12.634
  331    HG   LEU  33           HG       LEU  33  11.658  -8.132 -11.967
  332   HD11  LEU  33          HD11      LEU  33  12.533  -5.373 -12.920
  333   HD12  LEU  33          HD12      LEU  33  12.612  -6.882 -13.853
  334   HD13  LEU  33          HD13      LEU  33  13.605  -6.693 -12.399
  335   HD21  LEU  33          HD21      LEU  33  10.883  -6.943  -9.942
  336   HD22  LEU  33          HD22      LEU  33  11.489  -5.406 -10.602
  337   HD23  LEU  33          HD23      LEU  33  12.615  -6.718 -10.186
  338    H    VAL  34           H        VAL  34   7.340  -5.667 -11.122
  339    HA   VAL  34           HA       VAL  34   5.168  -6.231 -13.055
  340    HB   VAL  34           HB       VAL  34   3.629  -5.521 -11.504
  341   HG11  VAL  34          HG11      VAL  34   4.781  -7.634 -10.834
  342   HG12  VAL  34          HG12      VAL  34   5.826  -6.682  -9.754
  343   HG13  VAL  34          HG13      VAL  34   4.084  -6.730  -9.473
  344   HG21  VAL  34          HG21      VAL  34   5.845  -4.117  -9.963
  345   HG22  VAL  34          HG22      VAL  34   4.451  -3.372 -10.775
  346   HG23  VAL  34          HG23      VAL  34   4.214  -4.369  -9.340
  347    H    ARG  35           H        ARG  35   7.323  -3.707 -12.360
  348    HA   ARG  35           HA       ARG  35   7.486  -1.483 -12.735
  349    HB2  ARG  35           HB2      ARG  35   7.743  -2.579 -15.040
  350    HB3  ARG  35           HB3      ARG  35   6.151  -1.952 -15.418
  351    HG2  ARG  35           HG2      ARG  35   8.645  -0.361 -14.664
  352    HG3  ARG  35           HG3      ARG  35   7.913  -0.490 -16.261
  353    HD2  ARG  35           HD2      ARG  35   5.899   0.731 -15.396
  354    HD3  ARG  35           HD3      ARG  35   6.731   0.900 -13.834
  355    HE   ARG  35           HE       ARG  35   8.097   1.926 -16.252
  356   HH11  ARG  35          HH12      ARG  35   6.289   2.821 -13.348
  357   HH12  ARG  35          HH11      ARG  35   6.933   4.441 -13.385
  358   HH21  ARG  35          HH21      ARG  35   8.821   4.006 -16.210
  359   HH22  ARG  35          HH22      ARG  35   8.286   5.100 -14.972
  360    HA   PRO  36           HA       PRO  36   3.184  -0.499 -11.438
  361    HB2  PRO  36           HB2      PRO  36   3.808   1.056  -9.252
  362    HB3  PRO  36           HB3      PRO  36   3.668  -0.728  -9.222
  363    HG2  PRO  36           HG2      PRO  36   6.156   0.961  -9.352
  364    HG3  PRO  36           HG3      PRO  36   5.842  -0.555  -8.435
  365    HD2  PRO  36           HD2      PRO  36   7.202  -0.433 -10.846
  366    HD3  PRO  36           HD3      PRO  36   6.318  -1.877 -10.276
  367    H    LYS  37           H        LYS  37   2.013   1.456 -11.398
  368    HA   LYS  37           HA       LYS  37   2.707   3.470 -13.277
  369    HB2  LYS  37           HB2      LYS  37   0.541   3.068 -11.206
  370    HB3  LYS  37           HB3      LYS  37   0.674   4.648 -11.982
  371    HG2  LYS  37           HG2      LYS  37   0.163   3.871 -14.090
  372    HG3  LYS  37           HG3      LYS  37   0.736   2.241 -13.780
  373    HD2  LYS  37           HD2      LYS  37  -1.714   2.467 -14.151
  374    HD3  LYS  37           HD3      LYS  37  -1.235   1.565 -12.727
  375    HE2  LYS  37           HE2      LYS  37  -1.904   3.345 -11.233
  376    HE3  LYS  37           HE3      LYS  37  -2.066   4.488 -12.582
  377    HZ1  LYS  37           HZ1      LYS  37  -3.918   3.145 -13.416
  378    HZ2  LYS  37           HZ2      LYS  37  -4.226   3.593 -11.876
  379    HZ3  LYS  37           HZ3      LYS  37  -3.753   2.059 -12.206
  380    HA   PRO  38           HA       PRO  38   5.508   6.055 -11.296
  381    HB2  PRO  38           HB2      PRO  38   4.915   8.598 -12.210
  382    HB3  PRO  38           HB3      PRO  38   5.677   7.312 -13.191
  383    HG2  PRO  38           HG2      PRO  38   2.740   8.062 -13.068
  384    HG3  PRO  38           HG3      PRO  38   3.759   7.804 -14.522
  385    HD2  PRO  38           HD2      PRO  38   2.158   5.839 -13.598
  386    HD3  PRO  38           HD3      PRO  38   3.807   5.451 -14.177
  387    H    LEU  39           H        LEU  39   2.134   7.094 -10.869
  388    HA   LEU  39           HA       LEU  39   2.579   8.790  -8.619
  389    HB2  LEU  39           HB2      LEU  39   0.641   8.732 -10.214
  390    HB3  LEU  39           HB3      LEU  39   0.061   7.272  -9.441
  391    HG   LEU  39           HG       LEU  39  -1.060   9.478  -8.903
  392   HD11  LEU  39          HD11      LEU  39  -1.477   9.003  -6.569
  393   HD12  LEU  39          HD12      LEU  39  -0.064   7.937  -6.495
  394   HD13  LEU  39          HD13      LEU  39  -1.454   7.520  -7.527
  395   HD21  LEU  39          HD21      LEU  39   0.985  10.847  -8.629
  396   HD22  LEU  39          HD22      LEU  39   1.337   9.976  -7.113
  397   HD23  LEU  39          HD23      LEU  39  -0.131  10.961  -7.253
  398    H    LEU  40           H        LEU  40   2.034   5.258  -8.839
  399    HA   LEU  40           HA       LEU  40   2.054   4.861  -5.956
  400    HB2  LEU  40           HB2      LEU  40   0.977   3.229  -7.456
  401    HB3  LEU  40           HB3      LEU  40   2.500   2.928  -8.268
  402    HG   LEU  40           HG       LEU  40   3.483   1.955  -6.245
  403   HD11  LEU  40          HD11      LEU  40   0.785   2.530  -4.952
  404   HD12  LEU  40          HD12      LEU  40   2.341   3.243  -4.477
  405   HD13  LEU  40          HD13      LEU  40   2.063   1.517  -4.239
  406   HD21  LEU  40          HD21      LEU  40   2.068   0.524  -7.766
  407   HD22  LEU  40          HD22      LEU  40   0.718   0.786  -6.644
  408   HD23  LEU  40          HD23      LEU  40   2.164  -0.046  -6.090
  409    H    LEU  41           H        LEU  41   4.475   4.522  -8.582
  410    HA   LEU  41           HA       LEU  41   6.631   3.629  -7.032
  411    HB2  LEU  41           HB2      LEU  41   6.689   3.677  -9.442
  412    HB3  LEU  41           HB3      LEU  41   6.552   5.433  -9.460
  413    HG   LEU  41           HG       LEU  41   8.759   5.701  -8.488
  414   HD11  LEU  41          HD11      LEU  41   8.914   2.656  -8.565
  415   HD12  LEU  41          HD12      LEU  41   9.005   3.683  -7.111
  416   HD13  LEU  41          HD13      LEU  41  10.301   3.736  -8.299
  417   HD21  LEU  41          HD21      LEU  41  10.076   4.899 -10.401
  418   HD22  LEU  41          HD22      LEU  41   8.515   5.538 -10.937
  419   HD23  LEU  41          HD23      LEU  41   8.770   3.778 -10.851
  420    H    LYS  42           H        LYS  42   5.578   7.025  -7.490
  421    HA   LYS  42           HA       LYS  42   7.592   8.255  -5.898
  422    HB2  LYS  42           HB2      LYS  42   6.009   9.407  -7.436
  423    HB3  LYS  42           HB3      LYS  42   4.666   9.036  -6.356
  424    HG2  LYS  42           HG2      LYS  42   5.641  10.462  -4.588
  425    HG3  LYS  42           HG3      LYS  42   7.073  10.743  -5.590
  426    HD2  LYS  42           HD2      LYS  42   5.637  12.673  -5.689
  427    HD3  LYS  42           HD3      LYS  42   5.649  11.890  -7.278
  428    HE2  LYS  42           HE2      LYS  42   3.463  10.832  -6.781
  429    HE3  LYS  42           HE3      LYS  42   3.475  11.537  -5.158
  430    HZ1  LYS  42           HZ1      LYS  42   3.426  13.747  -6.190
  431    HZ2  LYS  42           HZ2      LYS  42   2.143  12.876  -6.692
  432    HZ3  LYS  42           HZ3      LYS  42   3.416  13.101  -7.690
  433    H    LEU  43           H        LEU  43   4.590   6.682  -4.821
  434    HA   LEU  43           HA       LEU  43   4.817   7.476  -2.039
  435    HB2  LEU  43           HB2      LEU  43   2.755   6.622  -3.028
  436    HB3  LEU  43           HB3      LEU  43   3.468   5.040  -3.279
  437    HG   LEU  43           HG       LEU  43   3.388   6.203  -0.493
  438   HD11  LEU  43          HD11      LEU  43   1.085   6.378  -1.478
  439   HD12  LEU  43          HD12      LEU  43   1.193   5.237  -0.130
  440   HD13  LEU  43          HD13      LEU  43   1.142   4.626  -1.788
  441   HD21  LEU  43          HD21      LEU  43   3.069   3.771   0.091
  442   HD22  LEU  43          HD22      LEU  43   4.605   4.063  -0.703
  443   HD23  LEU  43          HD23      LEU  43   3.260   3.357  -1.623
  444    H    LEU  44           H        LEU  44   6.177   4.770  -3.939
  445    HA   LEU  44           HA       LEU  44   7.639   3.620  -1.725
  446    HB2  LEU  44           HB2      LEU  44   8.619   3.369  -4.549
  447    HB3  LEU  44           HB3      LEU  44   8.667   2.204  -3.238
  448    HG   LEU  44           HG       LEU  44   6.209   2.972  -4.845
  449   HD11  LEU  44          HD11      LEU  44   6.386   0.729  -5.798
  450   HD12  LEU  44          HD12      LEU  44   7.871   0.430  -4.864
  451   HD13  LEU  44          HD13      LEU  44   7.849   1.671  -6.130
  452   HD21  LEU  44          HD21      LEU  44   5.023   1.203  -3.753
  453   HD22  LEU  44          HD22      LEU  44   5.697   2.216  -2.469
  454   HD23  LEU  44          HD23      LEU  44   6.475   0.675  -2.894
  455    H    LYS  45           H        LYS  45   8.539   6.089  -4.204
  456    HA   LYS  45           HA       LYS  45  11.197   6.559  -3.267
  457    HB2  LYS  45           HB2      LYS  45   9.327   8.682  -4.416
  458    HB3  LYS  45           HB3      LYS  45  11.069   8.759  -4.296
  459    HG2  LYS  45           HG2      LYS  45   9.430   7.143  -6.240
  460    HG3  LYS  45           HG3      LYS  45  10.672   8.352  -6.537
  461    HD2  LYS  45           HD2      LYS  45  12.206   6.590  -5.296
  462    HD3  LYS  45           HD3      LYS  45  10.884   5.474  -5.745
  463    HE2  LYS  45           HE2      LYS  45  11.212   6.106  -8.139
  464    HE3  LYS  45           HE3      LYS  45  12.447   7.274  -7.650
  465    HZ1  LYS  45           HZ1      LYS  45  12.654   4.323  -7.583
  466    HZ2  LYS  45           HZ2      LYS  45  13.592   5.230  -6.614
  467    HZ3  LYS  45           HZ3      LYS  45  13.684   5.399  -8.246
  468    H    SER  46           H        SER  46   8.160   7.784  -1.984
  469    HA   SER  46           HA       SER  46   9.245   9.683  -0.134
  470    HB2  SER  46           HB2      SER  46   6.673   8.068   0.072
  471    HB3  SER  46           HB3      SER  46   7.085   9.496   1.026
  472    HG   SER  46           HG       SER  46   6.843   9.383  -1.815
  473    H    VAL  47           H        VAL  47   9.375   6.245  -0.044
  474    HA   VAL  47           HA       VAL  47  10.596   6.353   2.680
  475    HB   VAL  47           HB       VAL  47   9.995   4.011   3.020
  476   HG11  VAL  47          HG11      VAL  47   8.546   5.834   3.874
  477   HG12  VAL  47          HG12      VAL  47   7.552   5.709   2.407
  478   HG13  VAL  47          HG13      VAL  47   7.670   4.334   3.530
  479   HG21  VAL  47          HG21      VAL  47   8.393   2.849   1.640
  480   HG22  VAL  47          HG22      VAL  47   8.216   4.243   0.561
  481   HG23  VAL  47          HG23      VAL  47   9.744   3.346   0.601
  482    H    GLY  48           H        GLY  48  11.746   6.786  -0.089
  483    HA2  GLY  48           HA2      GLY  48  13.943   6.706  -0.702
  484    HA3  GLY  48           HA3      GLY  48  14.279   5.607   0.630
  485    H    ALA  49           H        ALA  49  11.891   4.648  -1.810
  486    HA   ALA  49           HA       ALA  49  13.227   2.239  -2.454
  487    HB1  ALA  49           HB1      ALA  49  11.073   3.743  -3.998
  488    HB2  ALA  49           HB2      ALA  49  11.369   1.990  -4.007
  489    HB3  ALA  49           HB3      ALA  49  10.805   2.739  -2.539
  490    H    GLN  50           H        GLN  50  14.966   1.846  -3.703
  491    HA   GLN  50           HA       GLN  50  16.271   3.997  -5.103
  492    HB2  GLN  50           HB2      GLN  50  17.459   2.390  -3.737
  493    HB3  GLN  50           HB3      GLN  50  16.968   1.054  -4.789
  494    HG2  GLN  50           HG2      GLN  50  18.300   1.958  -6.640
  495    HG3  GLN  50           HG3      GLN  50  18.661   3.415  -5.708
  496   HE21  GLN  50          HE21      GLN  50  20.922   2.554  -6.468
  497   HE22  GLN  50          HE22      GLN  50  21.721   1.495  -5.313
  498    H    LYS  51           H        LYS  51  14.917   0.919  -6.298
  499    HA   LYS  51           HA       LYS  51  15.609   1.347  -9.103
  500    HB2  LYS  51           HB2      LYS  51  13.592  -0.614  -7.947
  501    HB3  LYS  51           HB3      LYS  51  14.425  -0.726  -9.488
  502    HG2  LYS  51           HG2      LYS  51  16.582  -1.058  -8.294
  503    HG3  LYS  51           HG3      LYS  51  15.723  -1.049  -6.746
  504    HD2  LYS  51           HD2      LYS  51  15.194  -3.010  -9.020
  505    HD3  LYS  51           HD3      LYS  51  16.208  -3.344  -7.610
  506    HE2  LYS  51           HE2      LYS  51  14.296  -3.079  -6.098
  507    HE3  LYS  51           HE3      LYS  51  13.254  -2.602  -7.444
  508    HZ1  LYS  51           HZ1      LYS  51  12.928  -4.931  -6.897
  509    HZ2  LYS  51           HZ2      LYS  51  14.503  -5.273  -7.143
  510    HZ3  LYS  51           HZ3      LYS  51  13.553  -4.799  -8.400
  511    H    ASP  52           H        ASP  52  13.882   1.092 -10.786
  512    HA   ASP  52           HA       ASP  52  11.342   2.494 -10.158
  513    HB2  ASP  52           HB2      ASP  52  11.245   3.159 -12.558
  514    HB3  ASP  52           HB3      ASP  52  12.428   3.953 -11.533
  515    H    THR  53           H        THR  53  12.378  -0.499 -10.534
  516    HA   THR  53           HA       THR  53   9.734  -1.537 -11.500
  517    HB   THR  53           HB       THR  53  11.172  -3.565 -12.287
  518    HG1  THR  53           HG1      THR  53  13.185  -2.844 -11.544
  519   HG21  THR  53          HG21      THR  53   9.923  -2.231 -13.856
  520   HG22  THR  53          HG22      THR  53  11.509  -2.626 -14.536
  521   HG23  THR  53          HG23      THR  53  11.204  -0.992 -13.896
  522    H    TYR  54           H        TYR  54   8.964  -3.111 -10.189
  523    HA   TYR  54           HA       TYR  54  10.615  -4.274  -8.028
  524    HB2  TYR  54           HB2      TYR  54   8.107  -2.607  -7.677
  525    HB3  TYR  54           HB3      TYR  54   8.774  -3.638  -6.419
  526    HD1  TYR  54           HD2      TYR  54  11.132  -3.228  -5.570
  527    HD2  TYR  54           HD1      TYR  54   8.984  -0.410  -8.029
  528    HE1  TYR  54           HE2      TYR  54  12.740  -1.433  -4.919
  529    HE2  TYR  54           HE1      TYR  54  10.595   1.373  -7.371
  530    HH   TYR  54           HH       TYR  54  12.612   1.769  -6.414
  531    H    THR  55           H        THR  55   9.699  -6.079  -6.909
  532    HA   THR  55           HA       THR  55   7.685  -7.597  -8.442
  533    HB   THR  55           HB       THR  55   8.124  -9.469  -7.283
  534    HG1  THR  55           HG1      THR  55   9.149  -9.451  -5.227
  535   HG21  THR  55          HG21      THR  55  10.512  -9.795  -7.051
  536   HG22  THR  55          HG22      THR  55  10.797  -8.053  -6.924
  537   HG23  THR  55          HG23      THR  55  10.217  -8.752  -8.451
  538    H    MET  56           H        MET  56   5.709  -8.583  -7.348
  539    HA   MET  56           HA       MET  56   4.123  -6.628  -6.000
  540    HB2  MET  56           HB2      MET  56   3.905  -9.631  -6.300
  541    HB3  MET  56           HB3      MET  56   2.827  -8.778  -5.193
  542    HG2  MET  56           HG2      MET  56   3.132  -8.111  -8.127
  543    HG3  MET  56           HG3      MET  56   1.835  -9.075  -7.433
  544    HE1  MET  56           HE1      MET  56   1.741  -6.305  -9.262
  545    HE2  MET  56           HE2      MET  56   0.302  -7.287  -8.898
  546    HE3  MET  56           HE3      MET  56   0.298  -5.538  -8.563
  547    H    LYS  57           H        LYS  57   6.318  -9.084  -4.652
  548    HA   LYS  57           HA       LYS  57   5.602  -8.778  -1.884
  549    HB2  LYS  57           HB2      LYS  57   7.098 -10.582  -3.197
  550    HB3  LYS  57           HB3      LYS  57   8.400  -9.454  -2.856
  551    HG2  LYS  57           HG2      LYS  57   8.541 -10.865  -1.043
  552    HG3  LYS  57           HG3      LYS  57   7.512  -9.585  -0.364
  553    HD2  LYS  57           HD2      LYS  57   5.508 -10.945  -0.979
  554    HD3  LYS  57           HD3      LYS  57   6.549 -12.236  -1.569
  555    HE2  LYS  57           HE2      LYS  57   6.547 -11.204   1.296
  556    HE3  LYS  57           HE3      LYS  57   5.582 -12.569   0.734
  557    HZ1  LYS  57           HZ1      LYS  57   8.558 -12.472   0.732
  558    HZ2  LYS  57           HZ2      LYS  57   7.684 -13.691   0.142
  559    HZ3  LYS  57           HZ3      LYS  57   7.572 -13.345   1.741
  560    H    GLU  58           H        GLU  58   8.067  -7.223  -3.936
  561    HA   GLU  58           HA       GLU  58   9.193  -5.541  -1.884
  562    HB2  GLU  58           HB2      GLU  58   9.213  -5.387  -4.909
  563    HB3  GLU  58           HB3      GLU  58  10.120  -4.289  -3.858
  564    HG2  GLU  58           HG2      GLU  58  11.401  -6.130  -2.917
  565    HG3  GLU  58           HG3      GLU  58  10.478  -7.311  -3.850
  566    H    VAL  59           H        VAL  59   6.673  -4.854  -4.380
  567    HA   VAL  59           HA       VAL  59   6.308  -2.101  -3.621
  568    HB   VAL  59           HB       VAL  59   4.297  -3.988  -4.912
  569   HG11  VAL  59          HG11      VAL  59   4.349  -0.939  -4.884
  570   HG12  VAL  59          HG12      VAL  59   3.162  -2.001  -5.686
  571   HG13  VAL  59          HG13      VAL  59   3.248  -1.938  -3.923
  572   HG21  VAL  59          HG21      VAL  59   6.345  -3.672  -6.307
  573   HG22  VAL  59          HG22      VAL  59   4.952  -2.871  -7.026
  574   HG23  VAL  59          HG23      VAL  59   6.179  -1.920  -6.155
  575    H    LEU  60           H        LEU  60   4.442  -5.056  -2.610
  576    HA   LEU  60           HA       LEU  60   2.856  -3.735  -0.653
  577    HB2  LEU  60           HB2      LEU  60   3.897  -6.586  -0.849
  578    HB3  LEU  60           HB3      LEU  60   2.813  -6.066   0.436
  579    HG   LEU  60           HG       LEU  60   2.094  -5.823  -2.517
  580   HD11  LEU  60          HD11      LEU  60   0.718  -7.820  -2.182
  581   HD12  LEU  60          HD12      LEU  60   1.281  -7.958  -0.502
  582   HD13  LEU  60          HD13      LEU  60   2.417  -8.193  -1.856
  583   HD21  LEU  60          HD21      LEU  60  -0.224  -5.671  -1.618
  584   HD22  LEU  60          HD22      LEU  60   0.775  -4.324  -1.070
  585   HD23  LEU  60          HD23      LEU  60   0.421  -5.669   0.036
  586    H    PHE  61           H        PHE  61   6.171  -5.155  -0.272
  587    HA   PHE  61           HA       PHE  61   6.444  -4.503   2.453
  588    HB2  PHE  61           HB2      PHE  61   8.064  -5.928   1.641
  589    HB3  PHE  61           HB3      PHE  61   8.439  -4.900   0.276
  590    HD1  PHE  61           HD2      PHE  61   8.979  -5.364   3.907
  591    HD2  PHE  61           HD1      PHE  61   9.986  -3.029   0.421
  592    HE1  PHE  61           HE2      PHE  61  10.858  -4.313   5.149
  593    HE2  PHE  61           HE1      PHE  61  11.851  -1.974   1.669
  594    HZ   PHE  61           HZ       PHE  61  12.289  -2.610   4.036
  595    H    TYR  62           H        TYR  62   7.510  -2.392  -0.233
  596    HA   TYR  62           HA       TYR  62   8.107  -0.207   1.473
  597    HB2  TYR  62           HB2      TYR  62   7.577  -0.435  -1.456
  598    HB3  TYR  62           HB3      TYR  62   7.834   1.141  -0.710
  599    HD1  TYR  62           HD2      TYR  62  10.014   1.106   1.007
  600    HD2  TYR  62           HD1      TYR  62   9.437  -1.307  -2.523
  601    HE1  TYR  62           HE2      TYR  62  12.473   0.970   0.702
  602    HE2  TYR  62           HE1      TYR  62  11.893  -1.484  -2.794
  603    HH   TYR  62           HH       TYR  62  14.197   0.070  -0.526
  604    H    LEU  63           H        LEU  63   5.016  -0.950  -0.108
  605    HA   LEU  63           HA       LEU  63   3.692   1.457   0.659
  606    HB2  LEU  63           HB2      LEU  63   2.909   0.018  -1.125
  607    HB3  LEU  63           HB3      LEU  63   2.720  -1.341  -0.017
  608    HG   LEU  63           HG       LEU  63   0.870  -0.236   1.130
  609   HD11  LEU  63          HD11      LEU  63  -0.098   1.842   0.206
  610   HD12  LEU  63          HD12      LEU  63   1.305   2.034  -0.862
  611   HD13  LEU  63          HD13      LEU  63   1.488   2.132   0.909
  612   HD21  LEU  63          HD21      LEU  63   0.428  -1.577  -0.935
  613   HD22  LEU  63          HD22      LEU  63   0.536  -0.093  -1.898
  614   HD23  LEU  63          HD23      LEU  63  -0.754  -0.284  -0.696
  615    H    GLY  64           H        GLY  64   3.914  -1.743   2.320
  616    HA2  GLY  64           HA2      GLY  64   2.348  -1.035   4.614
  617    HA3  GLY  64           HA3      GLY  64   3.580  -2.296   4.534
  618    H    GLN  65           H        GLN  65   5.900  -0.784   4.010
  619    HA   GLN  65           HA       GLN  65   6.595   0.404   6.523
  620    HB2  GLN  65           HB2      GLN  65   7.854   0.573   3.763
  621    HB3  GLN  65           HB3      GLN  65   8.580   1.302   5.186
  622    HG2  GLN  65           HG2      GLN  65   7.928  -1.673   4.954
  623    HG3  GLN  65           HG3      GLN  65   9.491  -0.969   4.568
  624   HE21  GLN  65          HE21      GLN  65   9.111  -3.009   6.530
  625   HE22  GLN  65          HE22      GLN  65   9.541  -2.300   8.082
  626    H    TYR  66           H        TYR  66   5.350   1.913   3.514
  627    HA   TYR  66           HA       TYR  66   5.607   4.605   4.470
  628    HB2  TYR  66           HB2      TYR  66   5.494   4.250   2.140
  629    HB3  TYR  66           HB3      TYR  66   3.985   3.380   2.269
  630    HD1  TYR  66           HD2      TYR  66   1.819   4.573   2.751
  631    HD2  TYR  66           HD1      TYR  66   5.527   6.662   2.045
  632    HE1  TYR  66           HE2      TYR  66   0.559   6.667   2.266
  633    HE2  TYR  66           HE1      TYR  66   4.263   8.740   1.541
  634    HH   TYR  66           HH       TYR  66   0.685   8.902   1.751
  635    H    ILE  67           H        ILE  67   2.817   2.392   4.476
  636    HA   ILE  67           HA       ILE  67   1.001   4.104   5.829
  637    HB   ILE  67           HB       ILE  67   1.215   1.074   5.754
  638   HG12  ILE  67          HG12      ILE  67  -0.785   2.831   4.284
  639   HG13  ILE  67          HG13      ILE  67   0.799   2.496   3.592
  640   HG21  ILE  67          HG21      ILE  67  -0.133   1.593   7.695
  641   HG22  ILE  67          HG22      ILE  67  -1.020   2.855   6.818
  642   HG23  ILE  67          HG23      ILE  67  -1.252   1.149   6.413
  643   HD11  ILE  67          HD11      ILE  67  -1.261   0.372   4.292
  644   HD12  ILE  67          HD12      ILE  67  -0.827   0.951   2.677
  645   HD13  ILE  67          HD13      ILE  67   0.368   0.069   3.645
  646    H    MET  68           H        MET  68   3.409   1.822   7.193
  647    HA   MET  68           HA       MET  68   2.820   2.336   9.943
  648    HB2  MET  68           HB2      MET  68   5.317   1.349   8.545
  649    HB3  MET  68           HB3      MET  68   5.237   1.597  10.295
  650    HG2  MET  68           HG2      MET  68   3.195   0.139  10.369
  651    HG3  MET  68           HG3      MET  68   3.480  -0.272   8.681
  652    HE1  MET  68           HE1      MET  68   6.752  -0.578   8.611
  653    HE2  MET  68           HE2      MET  68   6.750  -2.350   8.794
  654    HE3  MET  68           HE3      MET  68   5.505  -1.555   7.802
  655    H    THR  69           H        THR  69   5.446   3.836   7.932
  656    HA   THR  69           HA       THR  69   6.175   5.575  10.068
  657    HB   THR  69           HB       THR  69   7.613   4.849   8.137
  658    HG1  THR  69           HG1      THR  69   8.839   6.699   8.404
  659   HG21  THR  69          HG21      THR  69   6.170   5.723   6.293
  660   HG22  THR  69          HG22      THR  69   7.819   6.356   6.248
  661   HG23  THR  69          HG23      THR  69   6.495   7.383   6.842
  662    H    LYS  70           H        LYS  70   3.823   6.064   7.532
  663    HA   LYS  70           HA       LYS  70   3.213   8.835   8.275
  664    HB2  LYS  70           HB2      LYS  70   1.847   6.762   6.533
  665    HB3  LYS  70           HB3      LYS  70   1.291   8.421   6.681
  666    HG2  LYS  70           HG2      LYS  70   4.158   7.892   5.827
  667    HG3  LYS  70           HG3      LYS  70   2.859   7.606   4.692
  668    HD2  LYS  70           HD2      LYS  70   3.351  10.280   6.071
  669    HD3  LYS  70           HD3      LYS  70   3.895   9.824   4.445
  670    HE2  LYS  70           HE2      LYS  70   1.392   9.218   4.012
  671    HE3  LYS  70           HE3      LYS  70   1.045  10.202   5.436
  672    HZ1  LYS  70           HZ1      LYS  70   2.486  11.141   3.016
  673    HZ2  LYS  70           HZ2      LYS  70   2.072  12.090   4.299
  674    HZ3  LYS  70           HZ3      LYS  70   0.920  11.420   3.323
  675    H    ARG  71           H        ARG  71   2.310   5.803   9.621
  676    HA   ARG  71           HA       ARG  71   0.725   5.045  11.030
  677    HB2  ARG  71           HB2      ARG  71   0.893   7.869  12.150
  678    HB3  ARG  71           HB3      ARG  71   0.007   6.546  12.892
  679    HG2  ARG  71           HG2      ARG  71   1.929   6.500  14.082
  680    HG3  ARG  71           HG3      ARG  71   2.198   5.213  12.907
  681    HD2  ARG  71           HD2      ARG  71   3.648   6.706  11.596
  682    HD3  ARG  71           HD3      ARG  71   3.281   8.061  12.675
  683    HE   ARG  71           HE       ARG  71   4.253   6.067  14.348
  684   HH11  ARG  71          HH11      ARG  71   5.671   7.715  11.576
  685   HH12  ARG  71          HH12      ARG  71   7.278   7.588  12.240
  686   HH21  ARG  71          HH21      ARG  71   6.331   5.919  15.085
  687   HH22  ARG  71          HH22      ARG  71   7.637   6.585  14.151
  688    H    LEU  72           H        LEU  72  -0.357   5.310   8.658
  689    HA   LEU  72           HA       LEU  72  -2.793   6.935   8.699
  690    HB2  LEU  72           HB2      LEU  72  -1.974   4.771   6.736
  691    HB3  LEU  72           HB3      LEU  72  -3.268   5.936   6.508
  692    HG   LEU  72           HG       LEU  72  -0.320   6.613   6.772
  693   HD11  LEU  72          HD11      LEU  72  -2.116   6.608   4.325
  694   HD12  LEU  72          HD12      LEU  72  -0.802   5.456   4.674
  695   HD13  LEU  72          HD13      LEU  72  -0.432   7.163   4.386
  696   HD21  LEU  72          HD21      LEU  72  -1.053   8.865   5.940
  697   HD22  LEU  72          HD22      LEU  72  -1.668   8.472   7.552
  698   HD23  LEU  72          HD23      LEU  72  -2.741   8.338   6.136
  699    H    TYR  73           H        TYR  73  -2.147   3.878  10.039
  700    HA   TYR  73           HA       TYR  73  -4.791   2.785   9.727
  701    HB2  TYR  73           HB2      TYR  73  -4.072   1.229  11.596
  702    HB3  TYR  73           HB3      TYR  73  -3.301   1.138  10.028
  703    HD1  TYR  73           HD2      TYR  73  -2.833   2.806  13.379
  704    HD2  TYR  73           HD1      TYR  73  -0.962   1.053   9.908
  705    HE1  TYR  73           HE2      TYR  73  -0.598   3.059  14.452
  706    HE2  TYR  73           HE1      TYR  73   1.254   1.264  11.001
  707    HH   TYR  73           HH       TYR  73   2.418   1.964  12.862
  708    H    ASP  74           H        ASP  74  -6.470   2.385  11.229
  709    HA   ASP  74           HA       ASP  74  -7.049   4.578  13.039
  710    HB2  ASP  74           HB2      ASP  74  -8.934   3.628  12.147
  711    HB3  ASP  74           HB3      ASP  74  -8.412   1.988  12.455
  712    H    GLU  75           H        GLU  75  -6.521   4.877  15.162
  713    HA   GLU  75           HA       GLU  75  -4.552   3.255  16.430
  714    HB2  GLU  75           HB2      GLU  75  -4.929   4.616  18.393
  715    HB3  GLU  75           HB3      GLU  75  -4.860   5.612  16.936
  716    HG2  GLU  75           HG2      GLU  75  -7.374   5.723  16.945
  717    HG3  GLU  75           HG3      GLU  75  -7.379   4.811  18.458
  718    H    LYS  76           H        LYS  76  -8.079   3.014  16.508
  719    HA   LYS  76           HA       LYS  76  -8.061   0.949  18.634
  720    HB2  LYS  76           HB2      LYS  76 -10.364   1.835  16.855
  721    HB3  LYS  76           HB3      LYS  76 -10.466   0.813  18.274
  722    HG2  LYS  76           HG2      LYS  76  -9.714   3.766  18.175
  723    HG3  LYS  76           HG3      LYS  76 -11.218   3.081  18.763
  724    HD2  LYS  76           HD2      LYS  76  -8.480   2.734  20.065
  725    HD3  LYS  76           HD3      LYS  76  -9.776   3.809  20.598
  726    HE2  LYS  76           HE2      LYS  76 -11.268   1.835  20.939
  727    HE3  LYS  76           HE3      LYS  76  -9.939   0.763  20.478
  728    HZ1  LYS  76           HZ1      LYS  76  -9.909   2.611  22.808
  729    HZ2  LYS  76           HZ2      LYS  76  -8.676   1.625  22.383
  730    HZ3  LYS  76           HZ3      LYS  76 -10.094   0.993  22.889
  731    H    GLN  77           H        GLN  77  -9.248   0.851  15.204
  732    HA   GLN  77           HA       GLN  77  -8.500  -2.041  15.145
  733    HB2  GLN  77           HB2      GLN  77 -10.207  -0.409  13.226
  734    HB3  GLN  77           HB3      GLN  77  -9.888  -2.137  13.142
  735    HG2  GLN  77           HG2      GLN  77 -11.513  -0.653  15.224
  736    HG3  GLN  77           HG3      GLN  77 -12.073  -1.844  14.052
  737   HE21  GLN  77          HE21      GLN  77 -10.757  -4.121  14.324
  738   HE22  GLN  77          HE22      GLN  77 -10.607  -4.616  16.007
  739    H    GLN  78           H        GLN  78  -6.206  -1.747  14.967
  740    HA   GLN  78           HA       GLN  78  -5.080  -0.058  12.948
  741    HB2  GLN  78           HB2      GLN  78  -3.902  -2.299  14.594
  742    HB3  GLN  78           HB3      GLN  78  -2.950  -1.337  13.451
  743    HG2  GLN  78           HG2      GLN  78  -3.553   0.738  14.636
  744    HG3  GLN  78           HG3      GLN  78  -4.526  -0.176  15.788
  745   HE21  GLN  78          HE21      GLN  78  -3.059   0.997  17.354
  746   HE22  GLN  78          HE22      GLN  78  -1.497   0.256  17.688
  747    H    HIS  79           H        HIS  79  -6.534  -3.120  12.618
  748    HA   HIS  79           HA       HIS  79  -5.267  -3.845  10.098
  749    HB2  HIS  79           HB2      HIS  79  -6.826  -5.615  10.040
  750    HB3  HIS  79           HB3      HIS  79  -6.345  -5.433  11.726
  751    HD1  HIS  79           HD1      HIS  79  -9.370  -4.551   9.443
  752    HD2  HIS  79           HD2      HIS  79  -8.292  -5.182  13.468
  753    HE1  HIS  79           HE1      HIS  79 -11.542  -4.545  10.781
  754    H    ILE  80           H        ILE  80  -7.234  -1.199  10.807
  755    HA   ILE  80           HA       ILE  80  -8.269  -1.104   8.005
  756    HB   ILE  80           HB       ILE  80  -9.334   0.490  10.350
  757   HG12  ILE  80          HG12      ILE  80 -10.439  -2.070   9.116
  758   HG13  ILE  80          HG13      ILE  80  -9.829  -1.863  10.760
  759   HG21  ILE  80          HG21      ILE  80 -11.140   1.082   8.803
  760   HG22  ILE  80          HG22      ILE  80  -9.608   1.489   8.055
  761   HG23  ILE  80          HG23      ILE  80 -10.467   0.018   7.553
  762   HD11  ILE  80          HD11      ILE  80 -12.199  -1.890  10.898
  763   HD12  ILE  80          HD12      ILE  80 -11.680  -0.221  11.204
  764   HD13  ILE  80          HD13      ILE  80 -12.376  -0.674   9.627
  765    H    VAL  81           H        VAL  81  -7.373   0.304   6.704
  766    HA   VAL  81           HA       VAL  81  -5.535   2.387   7.769
  767    HB   VAL  81           HB       VAL  81  -5.687   1.448   4.903
  768   HG11  VAL  81          HG11      VAL  81  -3.407   2.455   4.822
  769   HG12  VAL  81          HG12      VAL  81  -4.646   3.655   5.197
  770   HG13  VAL  81          HG13      VAL  81  -3.606   3.012   6.493
  771   HG21  VAL  81          HG21      VAL  81  -3.609   0.170   5.383
  772   HG22  VAL  81          HG22      VAL  81  -3.823   0.497   7.119
  773   HG23  VAL  81          HG23      VAL  81  -5.008  -0.486   6.225
  774    H    TYR  82           H        TYR  82  -5.996   4.477   7.627
  775    HA   TYR  82           HA       TYR  82  -8.373   5.340   6.112
  776    HB2  TYR  82           HB2      TYR  82  -7.215   6.382   8.652
  777    HB3  TYR  82           HB3      TYR  82  -8.249   7.371   7.630
  778    HD1  TYR  82           HD2      TYR  82  -8.134   4.153   9.524
  779    HD2  TYR  82           HD1      TYR  82 -10.614   7.055   7.509
  780    HE1  TYR  82           HE2      TYR  82 -10.175   3.021  10.394
  781    HE2  TYR  82           HE1      TYR  82 -12.650   5.926   8.389
  782    HH   TYR  82           HH       TYR  82 -13.477   4.208   9.662
  783    H    CYS  83           H        CYS  83  -7.451   5.351   4.152
  784    HA   CYS  83           HA       CYS  83  -5.113   6.772   3.404
  785    HB2  CYS  83           HB2      CYS  83  -7.447   6.037   1.604
  786    HB3  CYS  83           HB3      CYS  83  -5.734   6.045   1.203
  787    HG   CYS  83           HG       CYS  83  -5.035   3.990   2.568
  788    H    SER  84           H        SER  84  -8.278   8.002   4.003
  789    HA   SER  84           HA       SER  84  -8.790   9.860   2.064
  790    HB2  SER  84           HB2      SER  84 -10.277   9.284   3.963
  791    HB3  SER  84           HB3      SER  84  -9.263  10.263   5.038
  792    HG   SER  84           HG       SER  84 -11.086  11.423   4.228
  793    H    ASN  85           H        ASN  85  -8.287  11.878   1.498
  794    HA   ASN  85           HA       ASN  85  -7.044  13.685   1.069
  795    HB2  ASN  85           HB2      ASN  85  -7.013  13.921   4.094
  796    HB3  ASN  85           HB3      ASN  85  -6.623  15.221   2.977
  797   HD21  ASN  85          HD21      ASN  85  -8.874  14.871   4.991
  798   HD22  ASN  85          HD22      ASN  85 -10.298  15.246   4.029
  799    H    ASP  86           H        ASP  86  -5.435  11.112   1.495
  800    HA   ASP  86           HA       ASP  86  -2.746  12.434   1.512
  801    HB2  ASP  86           HB2      ASP  86  -3.100  10.955   3.473
  802    HB3  ASP  86           HB3      ASP  86  -3.464   9.608   2.385
  803    H    LEU  87           H        LEU  87  -1.096  11.251   0.215
  804    HA   LEU  87           HA       LEU  87  -1.693  10.737  -2.507
  805    HB2  LEU  87           HB2      LEU  87   0.504  11.298  -1.712
  806    HB3  LEU  87           HB3      LEU  87   0.543   9.893  -0.652
  807    HG   LEU  87           HG       LEU  87   0.666   8.372  -2.581
  808   HD11  LEU  87          HD11      LEU  87  -0.526   9.681  -4.296
  809   HD12  LEU  87          HD12      LEU  87   1.101   9.259  -4.832
  810   HD13  LEU  87          HD13      LEU  87   0.757  10.913  -4.265
  811   HD21  LEU  87          HD21      LEU  87   2.728   9.242  -1.574
  812   HD22  LEU  87          HD22      LEU  87   2.678  10.656  -2.651
  813   HD23  LEU  87          HD23      LEU  87   2.935   9.032  -3.325
  814    H    LEU  88           H        LEU  88  -1.718   8.497   0.312
  815    HA   LEU  88           HA       LEU  88  -2.115   6.113  -1.183
  816    HB2  LEU  88           HB2      LEU  88  -1.472   6.330   1.253
  817    HB3  LEU  88           HB3      LEU  88  -3.145   6.783   1.603
  818    HG   LEU  88           HG       LEU  88  -3.900   4.566   0.697
  819   HD11  LEU  88          HD11      LEU  88  -2.100   2.805   0.483
  820   HD12  LEU  88          HD12      LEU  88  -0.899   4.103   0.454
  821   HD13  LEU  88          HD13      LEU  88  -2.120   3.967  -0.838
  822   HD21  LEU  88          HD21      LEU  88  -3.108   3.216   2.555
  823   HD22  LEU  88          HD22      LEU  88  -3.459   4.874   3.107
  824   HD23  LEU  88          HD23      LEU  88  -1.778   4.358   2.844
  825    H    GLY  89           H        GLY  89  -4.484   8.537  -0.078
  826    HA2  GLY  89           HA2      GLY  89  -6.867   7.050  -0.828
  827    HA3  GLY  89           HA3      GLY  89  -6.737   8.788  -0.505
  828    H    ASP  90           H        ASP  90  -4.744   9.410  -2.462
  829    HA   ASP  90           HA       ASP  90  -6.256   9.532  -4.918
  830    HB2  ASP  90           HB2      ASP  90  -3.396  10.231  -4.239
  831    HB3  ASP  90           HB3      ASP  90  -4.026  10.325  -5.877
  832    H    LEU  91           H        LEU  91  -3.888   7.238  -3.770
  833    HA   LEU  91           HA       LEU  91  -3.721   5.742  -6.268
  834    HB2  LEU  91           HB2      LEU  91  -2.920   5.269  -3.381
  835    HB3  LEU  91           HB3      LEU  91  -2.818   3.965  -4.554
  836    HG   LEU  91           HG       LEU  91  -1.419   6.638  -4.942
  837   HD11  LEU  91          HD11      LEU  91  -0.613   5.639  -2.940
  838   HD12  LEU  91          HD12      LEU  91   0.607   5.473  -4.213
  839   HD13  LEU  91          HD13      LEU  91  -0.391   4.069  -3.735
  840   HD21  LEU  91          HD21      LEU  91  -0.105   5.399  -6.576
  841   HD22  LEU  91          HD22      LEU  91  -1.796   5.200  -7.010
  842   HD23  LEU  91          HD23      LEU  91  -0.946   3.885  -6.182
  843    H    PHE  92           H        PHE  92  -5.221   4.837  -3.098
  844    HA   PHE  92           HA       PHE  92  -6.573   2.673  -4.395
  845    HB2  PHE  92           HB2      PHE  92  -6.606   3.628  -1.551
  846    HB3  PHE  92           HB3      PHE  92  -7.643   2.330  -2.111
  847    HD1  PHE  92           HD2      PHE  92  -6.244   0.579  -3.763
  848    HD2  PHE  92           HD1      PHE  92  -4.787   2.731  -0.346
  849    HE1  PHE  92           HE2      PHE  92  -4.497  -1.176  -3.409
  850    HE2  PHE  92           HE1      PHE  92  -3.113   0.935   0.066
  851    HZ   PHE  92           HZ       PHE  92  -2.959  -1.003  -1.477
  852    H    GLY  93           H        GLY  93  -7.689   5.876  -4.070
  853    HA2  GLY  93           HA2      GLY  93  -9.593   6.824  -4.930
  854    HA3  GLY  93           HA3      GLY  93 -10.081   5.251  -5.567
  855    H    VAL  94           H        VAL  94  -9.467   5.474  -2.144
  856    HA   VAL  94           HA       VAL  94 -12.340   5.754  -1.433
  857    HB   VAL  94           HB       VAL  94 -12.046   3.822   0.180
  858   HG11  VAL  94          HG11      VAL  94 -11.961   3.082  -2.760
  859   HG12  VAL  94          HG12      VAL  94 -12.608   2.100  -1.429
  860   HG13  VAL  94          HG13      VAL  94 -13.392   3.633  -1.852
  861   HG21  VAL  94          HG21      VAL  94  -9.728   2.999  -1.595
  862   HG22  VAL  94          HG22      VAL  94  -9.563   3.578   0.080
  863   HG23  VAL  94          HG23      VAL  94 -10.431   2.075  -0.262
  864    HA   PRO  95           HA       PRO  95 -10.562   7.980   2.020
  865    HB2  PRO  95           HB2      PRO  95 -12.528   7.773   3.914
  866    HB3  PRO  95           HB3      PRO  95 -12.714   8.752   2.427
  867    HG2  PRO  95           HG2      PRO  95 -13.676   5.903   2.899
  868    HG3  PRO  95           HG3      PRO  95 -14.615   7.296   2.268
  869    HD2  PRO  95           HD2      PRO  95 -13.489   5.480   0.616
  870    HD3  PRO  95           HD3      PRO  95 -13.500   7.212   0.186
  871    H    SER  96           H        SER  96 -11.599   4.612   2.413
  872    HA   SER  96           HA       SER  96  -9.286   3.973   4.017
  873    HB2  SER  96           HB2      SER  96 -10.537   3.098   5.973
  874    HB3  SER  96           HB3      SER  96 -10.758   4.842   5.789
  875    HG   SER  96           HG       SER  96 -12.738   3.766   6.205
  876    H    PHE  97           H        PHE  97  -9.124   1.647   4.522
  877    HA   PHE  97           HA       PHE  97 -11.114  -0.198   3.420
  878    HB2  PHE  97           HB2      PHE  97  -9.660  -1.399   1.942
  879    HB3  PHE  97           HB3      PHE  97  -9.614   0.276   1.437
  880    HD1  PHE  97           HD2      PHE  97  -7.722  -2.473   3.042
  881    HD2  PHE  97           HD1      PHE  97  -7.534   1.575   1.593
  882    HE1  PHE  97           HE2      PHE  97  -5.254  -2.506   3.283
  883    HE2  PHE  97           HE1      PHE  97  -5.055   1.527   1.812
  884    HZ   PHE  97           HZ       PHE  97  -3.915  -0.513   2.650
  885    H    SER  98           H        SER  98 -10.690  -2.410   4.176
  886    HA   SER  98           HA       SER  98  -9.014  -2.530   6.642
  887    HB2  SER  98           HB2      SER  98 -11.381  -3.058   6.929
  888    HB3  SER  98           HB3      SER  98 -11.229  -4.376   5.747
  889    HG   SER  98           HG       SER  98 -11.001  -5.131   7.873
  890    H    VAL  99           H        VAL  99  -7.242  -3.638   6.706
  891    HA   VAL  99           HA       VAL  99  -6.025  -5.082   4.551
  892    HB   VAL  99           HB       VAL  99  -5.236  -5.233   7.427
  893   HG11  VAL  99          HG11      VAL  99  -3.944  -6.714   5.904
  894   HG12  VAL  99          HG12      VAL  99  -3.564  -5.304   4.893
  895   HG13  VAL  99          HG13      VAL  99  -2.947  -5.413   6.549
  896   HG21  VAL  99          HG21      VAL  99  -5.440  -2.811   6.890
  897   HG22  VAL  99          HG22      VAL  99  -3.763  -3.291   7.079
  898   HG23  VAL  99          HG23      VAL  99  -4.435  -3.056   5.452
  899    H    LYS 100           H        LYS 100  -8.372  -6.059   6.843
  900    HA   LYS 100           HA       LYS 100  -8.004  -8.890   6.966
  901    HB2  LYS 100           HB2      LYS 100  -9.617  -7.510   8.312
  902    HB3  LYS 100           HB3      LYS 100 -10.533  -7.196   6.845
  903    HG2  LYS 100           HG2      LYS 100 -11.708  -8.834   8.092
  904    HG3  LYS 100           HG3      LYS 100 -11.099  -9.592   6.635
  905    HD2  LYS 100           HD2      LYS 100 -10.895 -11.094   8.522
  906    HD3  LYS 100           HD3      LYS 100  -9.275 -10.664   7.958
  907    HE2  LYS 100           HE2      LYS 100  -8.970  -9.105   9.796
  908    HE3  LYS 100           HE3      LYS 100 -10.669  -9.222  10.262
  909    HZ1  LYS 100           HZ1      LYS 100  -8.840 -11.558  10.361
  910    HZ2  LYS 100           HZ2      LYS 100 -10.330 -11.442  11.020
  911    HZ3  LYS 100           HZ3      LYS 100  -9.083 -10.572  11.636
  912    H    GLU 101           H        GLU 101  -9.339  -6.838   4.364
  913    HA   GLU 101           HA       GLU 101 -10.297  -9.202   2.896
  914    HB2  GLU 101           HB2      GLU 101 -10.550  -6.239   2.363
  915    HB3  GLU 101           HB3      GLU 101 -11.145  -7.491   1.270
  916    HG2  GLU 101           HG2      GLU 101 -11.999  -7.138   4.177
  917    HG3  GLU 101           HG3      GLU 101 -12.862  -6.613   2.740
  918    H    HIS 102           H        HIS 102  -8.861 -10.323   2.055
  919    HA   HIS 102           HA       HIS 102  -6.354  -9.523   0.919
  920    HB2  HIS 102           HB2      HIS 102  -7.993 -12.075   0.860
  921    HB3  HIS 102           HB3      HIS 102  -6.557 -11.907  -0.132
  922    HD1  HIS 102           HD1      HIS 102  -4.234 -12.259   1.007
  923    HD2  HIS 102           HD2      HIS 102  -7.502 -11.906   3.647
  924    HE1  HIS 102           HE1      HIS 102  -3.377 -12.917   3.303
  925    H    ARG 103           H        ARG 103  -9.185 -10.840  -0.868
  926    HA   ARG 103           HA       ARG 103  -8.152 -10.424  -3.462
  927    HB2  ARG 103           HB2      ARG 103 -10.095 -11.887  -2.789
  928    HB3  ARG 103           HB3      ARG 103 -11.081 -10.430  -2.622
  929    HG2  ARG 103           HG2      ARG 103 -10.500  -9.945  -5.103
  930    HG3  ARG 103           HG3      ARG 103  -9.843 -11.583  -5.153
  931    HD2  ARG 103           HD2      ARG 103 -12.711 -10.783  -4.477
  932    HD3  ARG 103           HD3      ARG 103 -12.153 -11.439  -6.009
  933    HE   ARG 103           HE       ARG 103 -11.769 -13.579  -5.022
  934   HH11  ARG 103          HH11      ARG 103 -13.497 -11.478  -2.787
  935   HH12  ARG 103          HH12      ARG 103 -14.125 -12.840  -1.902
  936   HH21  ARG 103          HH21      ARG 103 -12.577 -15.175  -3.910
  937   HH22  ARG 103          HH22      ARG 103 -13.618 -14.913  -2.521
  938    H    LYS 104           H        LYS 104 -10.180  -8.243  -1.542
  939    HA   LYS 104           HA       LYS 104 -10.616  -6.227  -3.515
  940    HB2  LYS 104           HB2      LYS 104 -11.907  -6.460  -1.426
  941    HB3  LYS 104           HB3      LYS 104 -10.490  -5.984  -0.476
  942    HG2  LYS 104           HG2      LYS 104 -10.504  -3.754  -1.442
  943    HG3  LYS 104           HG3      LYS 104 -11.769  -4.215  -2.600
  944    HD2  LYS 104           HD2      LYS 104 -13.345  -4.598  -0.722
  945    HD3  LYS 104           HD3      LYS 104 -12.082  -4.121   0.436
  946    HE2  LYS 104           HE2      LYS 104 -11.962  -1.878  -0.588
  947    HE3  LYS 104           HE3      LYS 104 -13.139  -2.352  -1.818
  948    HZ1  LYS 104           HZ1      LYS 104 -14.199  -1.122  -0.012
  949    HZ2  LYS 104           HZ2      LYS 104 -13.710  -2.214   1.098
  950    HZ3  LYS 104           HZ3      LYS 104 -14.789  -2.640  -0.053
  951    H    ILE 105           H        ILE 105  -7.970  -6.521  -1.100
  952    HA   ILE 105           HA       ILE 105  -6.631  -4.121  -2.056
  953    HB   ILE 105           HB       ILE 105  -5.657  -6.416  -0.328
  954   HG12  ILE 105          HG12      ILE 105  -6.318  -3.515   0.391
  955   HG13  ILE 105          HG13      ILE 105  -7.496  -4.813   0.513
  956   HG21  ILE 105          HG21      ILE 105  -4.276  -3.794  -1.090
  957   HG22  ILE 105          HG22      ILE 105  -3.745  -4.848   0.229
  958   HG23  ILE 105          HG23      ILE 105  -3.694  -5.441  -1.425
  959   HD11  ILE 105          HD11      ILE 105  -5.963  -6.029   2.103
  960   HD12  ILE 105          HD12      ILE 105  -4.954  -4.554   2.138
  961   HD13  ILE 105          HD13      ILE 105  -6.634  -4.496   2.669
  962    H    TYR 106           H        TYR 106  -6.107  -7.650  -2.710
  963    HA   TYR 106           HA       TYR 106  -3.925  -7.314  -4.432
  964    HB2  TYR 106           HB2      TYR 106  -6.110  -9.404  -4.575
  965    HB3  TYR 106           HB3      TYR 106  -4.590  -9.485  -5.447
  966    HD1  TYR 106           HD2      TYR 106  -2.699  -8.541  -3.141
  967    HD2  TYR 106           HD1      TYR 106  -5.915 -11.419  -3.381
  968    HE1  TYR 106           HE2      TYR 106  -1.700  -9.822  -1.268
  969    HE2  TYR 106           HE1      TYR 106  -4.877 -12.705  -1.519
  970    HH   TYR 106           HH       TYR 106  -1.791 -11.809  -0.068
  971    H    THR 107           H        THR 107  -7.371  -7.286  -5.444
  972    HA   THR 107           HA       THR 107  -6.739  -6.822  -8.190
  973    HB   THR 107           HB       THR 107  -8.897  -7.733  -7.248
  974    HG1  THR 107           HG1      THR 107  -9.964  -6.990  -9.062
  975   HG21  THR 107          HG21      THR 107  -9.482  -5.810  -5.769
  976   HG22  THR 107          HG22      THR 107 -10.741  -6.180  -6.952
  977   HG23  THR 107          HG23      THR 107  -9.675  -4.781  -7.205
  978    H    MET 108           H        MET 108  -7.253  -4.469  -5.574
  979    HA   MET 108           HA       MET 108  -7.059  -2.166  -7.333
  980    HB2  MET 108           HB2      MET 108  -6.634  -2.443  -4.334
  981    HB3  MET 108           HB3      MET 108  -6.554  -0.929  -5.253
  982    HG2  MET 108           HG2      MET 108  -8.880  -1.367  -6.086
  983    HG3  MET 108           HG3      MET 108  -8.995  -2.701  -4.951
  984    HE1  MET 108           HE1      MET 108  -7.405  -1.383  -2.325
  985    HE2  MET 108           HE2      MET 108  -8.826  -0.754  -1.469
  986    HE3  MET 108           HE3      MET 108  -8.893  -2.351  -2.249
  987    H    MET 109           H        MET 109  -4.612  -4.065  -5.511
  988    HA   MET 109           HA       MET 109  -2.396  -2.347  -6.193
  989    HB2  MET 109           HB2      MET 109  -2.532  -5.304  -5.448
  990    HB3  MET 109           HB3      MET 109  -1.022  -4.439  -5.713
  991    HG2  MET 109           HG2      MET 109  -3.101  -3.748  -3.607
  992    HG3  MET 109           HG3      MET 109  -1.600  -4.614  -3.322
  993    HE1  MET 109           HE1      MET 109   0.616  -2.937  -4.994
  994    HE2  MET 109           HE2      MET 109   1.097  -1.815  -3.706
  995    HE3  MET 109           HE3      MET 109   0.809  -3.525  -3.324
  996    H    ALA 110           H        ALA 110  -3.802  -5.226  -7.837
  997    HA   ALA 110           HA       ALA 110  -1.964  -5.305 -10.022
  998    HB1  ALA 110           HB1      ALA 110  -3.763  -6.609 -11.109
  999    HB2  ALA 110           HB2      ALA 110  -3.530  -7.112  -9.420
 1000    HB3  ALA 110           HB3      ALA 110  -4.910  -6.083  -9.857
 1001    H    SER 111           H        SER 111  -4.907  -3.348  -9.516
 1002    HA   SER 111           HA       SER 111  -4.933  -2.083 -12.104
 1003    HB2  SER 111           HB2      SER 111  -6.101  -1.150  -9.452
 1004    HB3  SER 111           HB3      SER 111  -6.431  -0.436 -11.034
 1005    HG   SER 111           HG       SER 111  -7.039  -3.079 -10.164
 1006    H    MET 112           H        MET 112  -2.627  -1.713  -9.637
 1007    HA   MET 112           HA       MET 112  -1.840   1.007 -10.559
 1008    HB2  MET 112           HB2      MET 112  -0.824  -0.606  -8.203
 1009    HB3  MET 112           HB3      MET 112  -0.311   1.028  -8.671
 1010    HG2  MET 112           HG2      MET 112  -2.541   1.902  -8.362
 1011    HG3  MET 112           HG3      MET 112  -3.169   0.290  -8.038
 1012    HE1  MET 112           HE1      MET 112  -3.848   1.882  -4.736
 1013    HE2  MET 112           HE2      MET 112  -4.092   2.346  -6.447
 1014    HE3  MET 112           HE3      MET 112  -4.374   0.665  -5.928
 1015    H    THR 113           H        THR 113  -1.303  -2.059 -11.598
 1016    HA   THR 113           HA       THR 113   1.358  -1.334 -12.664
 1017    HB   THR 113           HB       THR 113   2.344  -3.335 -12.363
 1018    HG1  THR 113           HG1      THR 113   0.806  -4.716 -13.111
 1019   HG21  THR 113          HG21      THR 113   2.084  -2.264 -10.153
 1020   HG22  THR 113          HG22      THR 113   2.035  -4.028 -10.016
 1021   HG23  THR 113          HG23      THR 113   0.539  -3.109  -9.908
 1022    H    GLY 114           H        GLY 114  -1.419  -1.106 -13.735
 1023    HA2  GLY 114           HA2      GLY 114  -0.767  -1.262 -16.481
 1024    HA3  GLY 114           HA3      GLY 114  -1.754  -2.672 -16.070
 1025    H    GLY 115           H        GLY 115  -3.051  -1.375 -17.777
 1026    HA2  GLY 115           HA2      GLY 115  -5.154  -0.508 -18.180
 1027    HA3  GLY 115           HA3      GLY 115  -5.373  -0.253 -16.454
 1028    H    GLN 116           H        GLN 116  -6.526   1.561 -17.788
 1029    HA   GLN 116           HA       GLN 116  -4.916   3.838 -18.630
 1030    HB2  GLN 116           HB2      GLN 116  -7.908   3.504 -18.181
 1031    HB3  GLN 116           HB3      GLN 116  -7.140   4.953 -18.846
 1032    HG2  GLN 116           HG2      GLN 116  -6.204   3.599 -20.718
 1033    HG3  GLN 116           HG3      GLN 116  -7.043   2.174 -20.103
 1034   HE21  GLN 116          HE21      GLN 116  -7.661   2.680 -22.630
 1035   HE22  GLN 116          HE22      GLN 116  -9.224   3.479 -22.765
 1036    H    GLN 117           H        GLN 117  -5.188   6.005 -17.775
 1037    HA   GLN 117           HA       GLN 117  -6.115   6.433 -15.056
 1038    HB2  GLN 117           HB2      GLN 117  -4.014   7.274 -14.152
 1039    HB3  GLN 117           HB3      GLN 117  -3.872   5.571 -14.576
 1040    HG2  GLN 117           HG2      GLN 117  -2.660   6.188 -16.666
 1041    HG3  GLN 117           HG3      GLN 117  -2.822   7.897 -16.251
 1042   HE21  GLN 117          HE21      GLN 117  -0.356   7.641 -16.560
 1043   HE22  GLN 117          HE22      GLN 117   0.538   7.229 -15.104
 1044    H    MET 118           H        MET 118  -5.993   8.761 -14.455
 1045    HA   MET 118           HA       MET 118  -6.805  10.473 -16.645
 1046    HB2  MET 118           HB2      MET 118  -6.212  11.088 -13.726
 1047    HB3  MET 118           HB3      MET 118  -6.897  12.237 -14.882
 1048    HG2  MET 118           HG2      MET 118  -8.797  10.678 -15.286
 1049    HG3  MET 118           HG3      MET 118  -8.176   9.612 -14.027
 1050    HE1  MET 118           HE1      MET 118  -8.745  11.643 -10.743
 1051    HE2  MET 118           HE2      MET 118  -8.211  10.111 -11.466
 1052    HE3  MET 118           HE3      MET 118  -7.237  11.587 -11.675
 1053    H    GLY 119           H        GLY 119  -5.873  12.416 -17.363
 1054    HA2  GLY 119           HA2      GLY 119  -3.226  13.353 -16.701
 1055    HA3  GLY 119           HA3      GLY 119  -3.196  12.390 -18.180
  Start of MODEL   15
    1    H1   MET -11           H1       MET -11   3.821  -1.678  20.315
    2    H2   MET -11           H2       MET -11   5.170  -2.562  20.589
    3    H3   MET -11           H3       MET -11   3.694  -3.261  20.715
    4    HA   MET -11           HA       MET -11   4.875  -2.209  18.232
    5    HB2  MET -11           HB2      MET -11   6.034  -4.238  18.946
    6    HB3  MET -11           HB3      MET -11   4.498  -5.081  19.153
    7    HG2  MET -11           HG2      MET -11   5.476  -5.811  17.103
    8    HG3  MET -11           HG3      MET -11   4.059  -4.853  16.705
    9    HE1  MET -11           HE1      MET -11   5.895  -5.577  14.411
   10    HE2  MET -11           HE2      MET -11   4.574  -4.395  14.241
   11    HE3  MET -11           HE3      MET -11   6.193  -4.015  13.614
   12    HA   PRO -10           HA       PRO -10   0.479  -2.090  17.161
   13    HB2  PRO -10           HB2      PRO -10   0.708  -1.174  14.586
   14    HB3  PRO -10           HB3      PRO -10   0.910  -0.125  16.023
   15    HG2  PRO -10           HG2      PRO -10   3.089  -1.502  14.409
   16    HG3  PRO -10           HG3      PRO -10   3.000   0.222  14.896
   17    HD2  PRO -10           HD2      PRO -10   4.445  -1.548  16.321
   18    HD3  PRO -10           HD3      PRO -10   3.488  -0.288  17.152
   19    H    ARG  -9           H        ARG  -9  -0.854  -3.559  16.233
   20    HA   ARG  -9           HA       ARG  -9   0.272  -6.014  15.090
   21    HB2  ARG  -9           HB2      ARG  -9  -2.488  -5.148  15.980
   22    HB3  ARG  -9           HB3      ARG  -9  -2.305  -6.557  14.956
   23    HG2  ARG  -9           HG2      ARG  -9  -2.371  -7.295  17.230
   24    HG3  ARG  -9           HG3      ARG  -9  -0.791  -7.632  16.537
   25    HD2  ARG  -9           HD2      ARG  -9  -0.516  -6.893  18.816
   26    HD3  ARG  -9           HD3      ARG  -9   0.161  -5.681  17.750
   27    HE   ARG  -9           HE       ARG  -9  -1.695  -4.216  18.184
   28   HH11  ARG  -9          HH11      ARG  -9  -1.816  -7.027  20.289
   29   HH12  ARG  -9          HH12      ARG  -9  -2.842  -6.211  21.437
   30   HH21  ARG  -9          HH21      ARG  -9  -3.003  -3.284  19.634
   31   HH22  ARG  -9          HH22      ARG  -9  -3.499  -4.138  21.070
   32    H    PHE  -8           H        PHE  -8  -0.525  -3.136  13.585
   33    HA   PHE  -8           HA       PHE  -8  -1.770  -3.861  11.227
   34    HB2  PHE  -8           HB2      PHE  -8  -1.388  -1.574  11.583
   35    HB3  PHE  -8           HB3      PHE  -8   0.343  -1.796  11.755
   36    HD1  PHE  -8           HD1      PHE  -8  -2.442  -1.722   9.303
   37    HD2  PHE  -8           HD2      PHE  -8   1.828  -1.988   9.834
   38    HE1  PHE  -8           HE1      PHE  -8  -2.108  -1.431   6.853
   39    HE2  PHE  -8           HE2      PHE  -8   2.150  -1.697   7.388
   40    HZ   PHE  -8           HZ       PHE  -8   0.182  -1.423   5.901
   41    H    TRP  -7           H        TRP  -7   1.768  -4.130  11.719
   42    HA   TRP  -7           HA       TRP  -7   2.220  -5.129   9.074
   43    HB2  TRP  -7           HB2      TRP  -7   3.921  -3.994  10.390
   44    HB3  TRP  -7           HB3      TRP  -7   3.951  -5.318  11.549
   45    HD1  TRP  -7           HD1      TRP  -7   5.336  -7.440  10.934
   46    HE1  TRP  -7           HE1      TRP  -7   6.834  -8.153   8.977
   47    HE3  TRP  -7           HE3      TRP  -7   4.164  -3.713   7.632
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.341  -7.301   6.263
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.141  -3.718   5.340
   50    HH2  TRP  -7           HH2      TRP  -7   6.701  -5.503   4.647
   51    H    GLU  -6           H        GLU  -6   1.443  -6.828  12.090
   52    HA   GLU  -6           HA       GLU  -6   1.982  -9.497  11.095
   53    HB2  GLU  -6           HB2      GLU  -6  -0.012  -8.596  13.228
   54    HB3  GLU  -6           HB3      GLU  -6   0.578 -10.232  12.998
   55    HG2  GLU  -6           HG2      GLU  -6   2.247  -7.828  13.869
   56    HG3  GLU  -6           HG3      GLU  -6   1.627  -9.095  14.913
   57    H    TYR  -5           H        TYR  -5  -0.589  -7.243  10.483
   58    HA   TYR  -5           HA       TYR  -5  -2.186  -9.283   9.067
   59    HB2  TYR  -5           HB2      TYR  -5  -2.788  -6.458   9.861
   60    HB3  TYR  -5           HB3      TYR  -5  -3.668  -7.244   8.562
   61    HD1  TYR  -5           HD1      TYR  -5  -4.867  -9.410   8.929
   62    HD2  TYR  -5           HD2      TYR  -5  -3.312  -7.021  12.167
   63    HE1  TYR  -5           HE1      TYR  -5  -6.339 -10.615  10.522
   64    HE2  TYR  -5           HE2      TYR  -5  -4.804  -8.213  13.764
   65    HH   TYR  -5           HH       TYR  -5  -6.351  -9.895  14.037
   66    H    TRP  -4           H        TRP  -4  -0.222  -6.459   8.293
   67    HA   TRP  -4           HA       TRP  -4  -0.725  -6.492   5.460
   68    HB2  TRP  -4           HB2      TRP  -4   0.189  -4.616   6.945
   69    HB3  TRP  -4           HB3      TRP  -4   1.739  -5.463   6.928
   70    HD1  TRP  -4           HD1      TRP  -4   3.082  -5.500   4.629
   71    HE1  TRP  -4           HE1      TRP  -4   2.838  -4.229   2.405
   72    HE3  TRP  -4           HE3      TRP  -4  -1.605  -3.559   5.293
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.756  -2.890   0.960
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.744  -2.387   3.431
   75    HH2  TRP  -4           HH2      TRP  -4  -1.583  -2.038   1.259
   76    H    LEU  -3           H        LEU  -3   1.778  -8.150   7.436
   77    HA   LEU  -3           HA       LEU  -3   3.358  -9.155   5.338
   78    HB2  LEU  -3           HB2      LEU  -3   3.777  -9.214   7.839
   79    HB3  LEU  -3           HB3      LEU  -3   2.600 -10.520   7.951
   80    HG   LEU  -3           HG       LEU  -3   4.128 -11.832   6.322
   81   HD11  LEU  -3          HD11      LEU  -3   6.482 -11.089   6.251
   82   HD12  LEU  -3          HD12      LEU  -3   6.058  -9.622   7.166
   83   HD13  LEU  -3          HD13      LEU  -3   5.447  -9.854   5.519
   84   HD21  LEU  -3          HD21      LEU  -3   5.203 -11.008   9.053
   85   HD22  LEU  -3          HD22      LEU  -3   5.686 -12.456   8.136
   86   HD23  LEU  -3          HD23      LEU  -3   4.026 -12.298   8.734
   87    H    ARG  -2           H        ARG  -2   0.202 -10.193   6.429
   88    HA   ARG  -2           HA       ARG  -2   0.012 -12.804   5.225
   89    HB2  ARG  -2           HB2      ARG  -2  -2.245 -10.957   5.832
   90    HB3  ARG  -2           HB3      ARG  -2  -2.261 -12.716   5.652
   91    HG2  ARG  -2           HG2      ARG  -2  -0.555 -12.744   7.626
   92    HG3  ARG  -2           HG3      ARG  -2  -1.009 -11.042   7.858
   93    HD2  ARG  -2           HD2      ARG  -2  -3.445 -11.908   7.831
   94    HD3  ARG  -2           HD3      ARG  -2  -2.700 -13.516   8.023
   95    HE   ARG  -2           HE       ARG  -2  -1.613 -11.655   9.944
   96   HH11  ARG  -2          HH11      ARG  -2  -4.605 -13.424   9.482
   97   HH12  ARG  -2          HH12      ARG  -2  -5.023 -13.327  11.172
   98   HH21  ARG  -2          HH21      ARG  -2  -2.196 -11.563  12.043
   99   HH22  ARG  -2          HH22      ARG  -2  -3.687 -12.277  12.589
  100    H    LEU  -1           H        LEU  -1  -0.424  -9.529   3.949
  101    HA   LEU  -1           HA       LEU  -1  -1.754 -10.258   1.493
  102    HB2  LEU  -1           HB2      LEU  -1  -0.017  -7.882   2.243
  103    HB3  LEU  -1           HB3      LEU  -1  -0.759  -8.047   0.681
  104    HG   LEU  -1           HG       LEU  -1  -2.396  -7.980   3.238
  105   HD11  LEU  -1          HD11      LEU  -1  -1.672  -5.790   1.246
  106   HD12  LEU  -1          HD12      LEU  -1  -1.063  -5.929   2.900
  107   HD13  LEU  -1          HD13      LEU  -1  -2.788  -5.617   2.624
  108   HD21  LEU  -1          HD21      LEU  -1  -4.212  -7.399   1.664
  109   HD22  LEU  -1          HD22      LEU  -1  -3.529  -8.979   1.229
  110   HD23  LEU  -1          HD23      LEU  -1  -3.105  -7.543   0.288
  111    H    MET   0           H        MET   0   1.719  -9.537   2.246
  112    HA   MET   0           HA       MET   0   2.520 -10.233  -0.416
  113    HB2  MET   0           HB2      MET   0   4.775 -10.000   0.300
  114    HB3  MET   0           HB3      MET   0   3.826  -8.689   0.989
  115    HG2  MET   0           HG2      MET   0   3.921  -9.627   3.168
  116    HG3  MET   0           HG3      MET   0   4.417 -11.211   2.579
  117    HE1  MET   0           HE1      MET   0   5.895  -7.615   1.704
  118    HE2  MET   0           HE2      MET   0   5.401  -7.648   3.426
  119    HE3  MET   0           HE3      MET   0   7.127  -7.546   2.986
  120    H    GLU   1           H        GLU   1   2.111 -12.139   2.480
  121    HA   GLU   1           HA       GLU   1   3.323 -14.591   1.649
  122    HB2  GLU   1           HB2      GLU   1   2.702 -13.997   3.938
  123    HB3  GLU   1           HB3      GLU   1   0.987 -14.068   3.507
  124    HG2  GLU   1           HG2      GLU   1   1.163 -16.471   3.064
  125    HG3  GLU   1           HG3      GLU   1   2.910 -16.416   3.346
  126    H    GLY   2           H        GLY   2   0.478 -13.017   0.466
  127    HA2  GLY   2           HA2      GLY   2  -0.659 -13.636  -1.482
  128    HA3  GLY   2           HA3      GLY   2  -0.222 -15.329  -1.260
  129    H    GLY   3           H        GLY   3  -1.459 -13.925   1.633
  130    HA2  GLY   3           HA2      GLY   3  -3.446 -14.035   2.744
  131    HA3  GLY   3           HA3      GLY   3  -4.200 -13.779   1.168
  132    H    GLY   4           H        GLY   4  -2.335 -16.710   1.868
  133    HA2  GLY   4           HA2      GLY   4  -2.953 -18.947   2.016
  134    HA3  GLY   4           HA3      GLY   4  -4.539 -18.435   2.596
  135    H    GLU   5           H        GLU   5  -6.070 -19.316   1.349
  136    HA   GLU   5           HA       GLU   5  -5.711 -20.177  -1.359
  137    HB2  GLU   5           HB2      GLU   5  -8.000 -20.837  -1.251
  138    HB3  GLU   5           HB3      GLU   5  -7.227 -21.269   0.255
  139    HG2  GLU   5           HG2      GLU   5  -8.970 -18.781  -0.113
  140    HG3  GLU   5           HG3      GLU   5  -9.596 -20.350   0.354
  141    H    ASN   6           H        ASN   6  -6.191 -16.994  -0.322
  142    HA   ASN   6           HA       ASN   6  -8.092 -16.107  -2.301
  143    HB2  ASN   6           HB2      ASN   6  -6.179 -14.643  -0.446
  144    HB3  ASN   6           HB3      ASN   6  -7.270 -13.810  -1.551
  145   HD21  ASN   6          HD21      ASN   6  -7.092 -15.313   1.541
  146   HD22  ASN   6          HD22      ASN   6  -8.821 -15.219   1.869
  147    H    LEU   7           H        LEU   7  -4.809 -16.901  -2.753
  148    HA   LEU   7           HA       LEU   7  -4.990 -15.875  -5.525
  149    HB2  LEU   7           HB2      LEU   7  -2.632 -15.429  -3.651
  150    HB3  LEU   7           HB3      LEU   7  -2.484 -15.351  -5.398
  151    HG   LEU   7           HG       LEU   7  -4.266 -13.509  -3.758
  152   HD11  LEU   7          HD11      LEU   7  -2.514 -11.820  -4.330
  153   HD12  LEU   7          HD12      LEU   7  -1.531 -13.116  -5.039
  154   HD13  LEU   7          HD13      LEU   7  -1.900 -13.119  -3.303
  155   HD21  LEU   7          HD21      LEU   7  -5.085 -13.734  -6.078
  156   HD22  LEU   7          HD22      LEU   7  -3.443 -13.450  -6.703
  157   HD23  LEU   7          HD23      LEU   7  -4.322 -12.161  -5.851
  158    H    TYR   8           H        TYR   8  -3.907 -17.054  -7.043
  159    HA   TYR   8           HA       TYR   8  -3.185 -19.785  -6.442
  160    HB2  TYR   8           HB2      TYR   8  -2.437 -19.700  -8.943
  161    HB3  TYR   8           HB3      TYR   8  -4.113 -19.802  -8.446
  162    HD1  TYR   8           HD2      TYR   8  -1.632 -16.973  -8.970
  163    HD2  TYR   8           HD1      TYR   8  -5.583 -18.550  -9.726
  164    HE1  TYR   8           HE2      TYR   8  -2.210 -14.929 -10.270
  165    HE2  TYR   8           HE1      TYR   8  -6.145 -16.510 -11.028
  166    HH   TYR   8           HH       TYR   8  -5.414 -14.483 -11.807
  167    H    PHE   9           H        PHE   9  -1.185 -20.871  -6.764
  168    HA   PHE   9           HA       PHE   9   0.930 -19.471  -5.509
  169    HB2  PHE   9           HB2      PHE   9   0.829 -21.655  -4.918
  170    HB3  PHE   9           HB3      PHE   9   0.676 -22.227  -6.570
  171    HD1  PHE   9           HD2      PHE   9   3.131 -20.631  -4.224
  172    HD2  PHE   9           HD1      PHE   9   2.561 -23.000  -7.785
  173    HE1  PHE   9           HE2      PHE   9   5.570 -21.092  -4.312
  174    HE2  PHE   9           HE1      PHE   9   4.999 -23.451  -7.873
  175    HZ   PHE   9           HZ       PHE   9   6.507 -22.505  -6.135
  176    H    GLN  10           H        GLN  10   1.130 -20.796  -8.776
  177    HA   GLN  10           HA       GLN  10   2.398 -20.389 -10.560
  178    HB2  GLN  10           HB2      GLN  10   1.922 -17.500  -9.751
  179    HB3  GLN  10           HB3      GLN  10   2.534 -18.043 -11.319
  180    HG2  GLN  10           HG2      GLN  10   0.448 -19.510 -11.512
  181    HG3  GLN  10           HG3      GLN  10  -0.197 -18.640 -10.121
  182   HE21  GLN  10          HE21      GLN  10  -1.763 -18.477 -12.272
  183   HE22  GLN  10          HE22      GLN  10  -1.569 -16.936 -13.093
  184    H    GLY  11           H        GLY  11   3.980 -19.554  -7.678
  185    HA2  GLY  11           HA2      GLY  11   6.192 -19.795  -7.109
  186    HA3  GLY  11           HA3      GLY  11   6.577 -20.185  -8.784
  187    H    MET  12           H        MET  12   5.498 -17.616  -9.807
  188    HA   MET  12           HA       MET  12   7.443 -15.599  -8.788
  189    HB2  MET  12           HB2      MET  12   7.136 -16.386 -11.718
  190    HB3  MET  12           HB3      MET  12   8.186 -15.146 -11.049
  191    HG2  MET  12           HG2      MET  12   9.670 -16.823 -11.453
  192    HG3  MET  12           HG3      MET  12   9.362 -16.982  -9.734
  193    HE1  MET  12           HE1      MET  12   8.862 -18.443 -13.332
  194    HE2  MET  12           HE2      MET  12   7.929 -19.929 -13.047
  195    HE3  MET  12           HE3      MET  12   7.148 -18.349 -12.858
  196    H    SER  13           H        SER  13   7.114 -13.470  -9.864
  197    HA   SER  13           HA       SER  13   5.936 -11.598 -10.214
  198    HB2  SER  13           HB2      SER  13   5.234 -12.739 -12.307
  199    HB3  SER  13           HB3      SER  13   3.776 -13.290 -11.472
  200    HG   SER  13           HG       SER  13   3.431 -11.334 -12.624
  201    H    VAL  14           H        VAL  14   3.456 -13.809  -9.454
  202    HA   VAL  14           HA       VAL  14   1.767 -12.147  -7.839
  203    HB   VAL  14           HB       VAL  14   1.947 -15.177  -8.021
  204   HG11  VAL  14          HG11      VAL  14   0.516 -14.503  -6.109
  205   HG12  VAL  14          HG12      VAL  14  -0.433 -13.456  -7.205
  206   HG13  VAL  14          HG13      VAL  14  -0.432 -15.214  -7.407
  207   HG21  VAL  14          HG21      VAL  14   1.583 -14.225 -10.253
  208   HG22  VAL  14          HG22      VAL  14   0.115 -14.994  -9.676
  209   HG23  VAL  14          HG23      VAL  14   0.255 -13.221  -9.626
  210    HA   PRO  15           HA       PRO  15   3.667 -12.296  -3.727
  211    HB2  PRO  15           HB2      PRO  15   0.794 -12.928  -2.995
  212    HB3  PRO  15           HB3      PRO  15   1.954 -11.886  -2.113
  213    HG2  PRO  15           HG2      PRO  15   0.162 -10.736  -3.737
  214    HG3  PRO  15           HG3      PRO  15   1.878 -10.219  -3.838
  215    HD2  PRO  15           HD2      PRO  15   0.364 -12.085  -5.662
  216    HD3  PRO  15           HD3      PRO  15   1.562 -10.831  -6.068
  217    H    THR  16           H        THR  16   4.325 -13.783  -2.130
  218    HA   THR  16           HA       THR  16   3.763 -16.656  -2.590
  219    HB   THR  16           HB       THR  16   5.981 -17.299  -2.913
  220    HG1  THR  16           HG1      THR  16   7.697 -15.888  -2.826
  221   HG21  THR  16          HG21      THR  16   5.814 -14.797  -4.625
  222   HG22  THR  16          HG22      THR  16   4.926 -16.304  -4.975
  223   HG23  THR  16          HG23      THR  16   6.698 -16.299  -4.962
  224    H    ASP  17           H        ASP  17   4.607 -18.166  -1.003
  225    HA   ASP  17           HA       ASP  17   4.259 -17.161   1.649
  226    HB2  ASP  17           HB2      ASP  17   4.849 -19.485   2.379
  227    HB3  ASP  17           HB3      ASP  17   3.402 -19.234   1.422
  228    H    GLY  18           H        GLY  18   5.574 -16.179   2.945
  229    HA2  GLY  18           HA2      GLY  18   7.382 -15.825   4.319
  230    HA3  GLY  18           HA3      GLY  18   8.119 -17.279   3.667
  231    H    ALA  19           H        ALA  19  10.050 -16.071   4.050
  232    HA   ALA  19           HA       ALA  19  11.143 -14.770   1.679
  233    HB1  ALA  19           HB1      ALA  19  11.970 -12.795   2.939
  234    HB2  ALA  19           HB2      ALA  19  10.200 -12.835   2.918
  235    HB3  ALA  19           HB3      ALA  19  11.082 -13.333   4.379
  236    H    VAL  20           H        VAL  20  13.642 -14.398   2.121
  237    HA   VAL  20           HA       VAL  20  14.621 -16.912   3.104
  238    HB   VAL  20           HB       VAL  20  15.574 -15.486   1.185
  239   HG11  VAL  20          HG11      VAL  20  17.432 -14.538   3.411
  240   HG12  VAL  20          HG12      VAL  20  17.531 -14.178   1.675
  241   HG13  VAL  20          HG13      VAL  20  16.200 -13.525   2.646
  242   HG21  VAL  20          HG21      VAL  20  17.430 -16.979   3.084
  243   HG22  VAL  20          HG22      VAL  20  16.380 -17.719   1.853
  244   HG23  VAL  20          HG23      VAL  20  17.704 -16.655   1.363
  245    H    THR  21           H        THR  21  15.884 -17.512   4.810
  246    HA   THR  21           HA       THR  21  15.651 -15.763   7.179
  247    HB   THR  21           HB       THR  21  15.350 -17.483   8.580
  248    HG1  THR  21           HG1      THR  21  15.872 -19.614   8.111
  249   HG21  THR  21          HG21      THR  21  14.132 -18.689   6.056
  250   HG22  THR  21          HG22      THR  21  13.415 -17.349   6.983
  251   HG23  THR  21          HG23      THR  21  13.620 -18.938   7.738
  252    H    THR  22           H        THR  22  17.200 -15.946   8.952
  253    HA   THR  22           HA       THR  22  19.216 -15.477   9.712
  254    HB   THR  22           HB       THR  22  20.500 -17.794   8.377
  255    HG1  THR  22           HG1      THR  22  18.430 -18.529   8.750
  256   HG21  THR  22          HG21      THR  22  21.250 -18.244  10.680
  257   HG22  THR  22          HG22      THR  22  20.291 -16.876  11.284
  258   HG23  THR  22          HG23      THR  22  21.681 -16.592  10.214
  259    H    SER  23           H        SER  23  18.771 -13.874   7.523
  260    HA   SER  23           HA       SER  23  21.511 -12.950   6.993
  261    HB2  SER  23           HB2      SER  23  21.059 -14.538   5.144
  262    HB3  SER  23           HB3      SER  23  19.610 -13.610   4.708
  263    HG   SER  23           HG       SER  23  21.652 -13.123   3.550
  264    H    GLN  24           H        GLN  24  21.575 -10.802   6.087
  265    HA   GLN  24           HA       GLN  24  19.584  -9.044   7.268
  266    HB2  GLN  24           HB2      GLN  24  21.049  -7.253   6.547
  267    HB3  GLN  24           HB3      GLN  24  21.965  -8.537   7.337
  268    HG2  GLN  24           HG2      GLN  24  22.668  -9.384   5.071
  269    HG3  GLN  24           HG3      GLN  24  21.803  -8.038   4.326
  270   HE21  GLN  24          HE21      GLN  24  24.346  -8.116   3.590
  271   HE22  GLN  24          HE22      GLN  24  25.311  -6.944   4.477
  272    H    ILE  25           H        ILE  25  19.983 -10.369   4.067
  273    HA   ILE  25           HA       ILE  25  18.227  -8.360   2.793
  274    HB   ILE  25           HB       ILE  25  18.499  -9.943   0.780
  275   HG12  ILE  25          HG12      ILE  25  21.002 -10.888   2.231
  276   HG13  ILE  25          HG13      ILE  25  19.506 -11.825   2.286
  277   HG21  ILE  25          HG21      ILE  25  20.626  -8.855   0.186
  278   HG22  ILE  25          HG22      ILE  25  19.550  -7.727   1.013
  279   HG23  ILE  25          HG23      ILE  25  20.913  -8.451   1.891
  280   HD11  ILE  25          HD11      ILE  25  19.478 -12.037  -0.149
  281   HD12  ILE  25          HD12      ILE  25  20.979 -11.086  -0.270
  282   HD13  ILE  25          HD13      ILE  25  20.984 -12.664   0.538
  283    HA   PRO  26           HA       PRO  26  14.586 -11.003   3.232
  284    HB2  PRO  26           HB2      PRO  26  12.874  -9.856   1.463
  285    HB3  PRO  26           HB3      PRO  26  13.399  -9.022   2.957
  286    HG2  PRO  26           HG2      PRO  26  14.506  -8.680   0.151
  287    HG3  PRO  26           HG3      PRO  26  14.010  -7.406   1.308
  288    HD2  PRO  26           HD2      PRO  26  16.620  -8.220   1.017
  289    HD3  PRO  26           HD3      PRO  26  15.958  -7.670   2.584
  290    H    ALA  27           H        ALA  27  16.109 -10.483   0.087
  291    HA   ALA  27           HA       ALA  27  15.923 -13.271  -0.677
  292    HB1  ALA  27           HB1      ALA  27  14.742 -12.836  -2.824
  293    HB2  ALA  27           HB2      ALA  27  13.696 -12.483  -1.440
  294    HB3  ALA  27           HB3      ALA  27  14.463 -11.152  -2.333
  295    H    SER  28           H        SER  28  17.330 -13.734  -2.515
  296    HA   SER  28           HA       SER  28  19.649 -11.986  -2.643
  297    HB2  SER  28           HB2      SER  28  20.571 -13.785  -4.070
  298    HB3  SER  28           HB3      SER  28  19.934 -14.374  -2.526
  299    HG   SER  28           HG       SER  28  19.272 -15.679  -4.309
  300    H    GLU  29           H        GLU  29  16.917 -12.542  -4.779
  301    HA   GLU  29           HA       GLU  29  17.850 -10.472  -6.681
  302    HB2  GLU  29           HB2      GLU  29  17.063 -13.314  -7.453
  303    HB3  GLU  29           HB3      GLU  29  17.162 -11.992  -8.598
  304    HG2  GLU  29           HG2      GLU  29  19.498 -13.117  -6.998
  305    HG3  GLU  29           HG3      GLU  29  19.113 -13.479  -8.670
  306    H    GLN  30           H        GLN  30  16.158  -9.615  -8.037
  307    HA   GLN  30           HA       GLN  30  13.493  -9.587  -6.829
  308    HB2  GLN  30           HB2      GLN  30  14.408  -8.448  -9.506
  309    HB3  GLN  30           HB3      GLN  30  12.888  -8.119  -8.674
  310    HG2  GLN  30           HG2      GLN  30  14.251  -7.126  -6.772
  311    HG3  GLN  30           HG3      GLN  30  15.678  -7.274  -7.794
  312   HE21  GLN  30          HE21      GLN  30  12.580  -5.511  -7.357
  313   HE22  GLN  30          HE22      GLN  30  12.890  -4.341  -8.626
  314    H    GLU  31           H        GLU  31  11.762 -10.825  -7.359
  315    HA   GLU  31           HA       GLU  31  11.768 -12.802  -9.511
  316    HB2  GLU  31           HB2      GLU  31   9.436 -11.739  -7.841
  317    HB3  GLU  31           HB3      GLU  31   9.459 -13.168  -8.853
  318    HG2  GLU  31           HG2      GLU  31   9.717 -14.113  -6.812
  319    HG3  GLU  31           HG3      GLU  31  11.378 -14.046  -7.379
  320    H    THR  32           H        THR  32   9.354 -12.567 -10.837
  321    HA   THR  32           HA       THR  32   9.821 -10.769 -12.838
  322    HB   THR  32           HB       THR  32   6.972 -11.433 -12.392
  323    HG1  THR  32           HG1      THR  32   7.468 -13.538 -13.220
  324   HG21  THR  32          HG21      THR  32   7.667 -10.332 -14.487
  325   HG22  THR  32          HG22      THR  32   7.076 -11.970 -14.789
  326   HG23  THR  32          HG23      THR  32   8.825 -11.649 -14.799
  327    H    LEU  33           H        LEU  33   9.472  -8.773 -13.444
  328    HA   LEU  33           HA       LEU  33   8.740  -6.869 -11.363
  329    HB2  LEU  33           HB2      LEU  33   9.762  -6.453 -14.193
  330    HB3  LEU  33           HB3      LEU  33   9.647  -5.206 -12.956
  331    HG   LEU  33           HG       LEU  33  11.405  -7.701 -12.702
  332   HD11  LEU  33          HD11      LEU  33  12.143  -4.876 -13.526
  333   HD12  LEU  33          HD12      LEU  33  12.170  -6.320 -14.555
  334   HD13  LEU  33          HD13      LEU  33  13.286  -6.195 -13.185
  335   HD21  LEU  33          HD21      LEU  33  11.336  -5.113 -11.090
  336   HD22  LEU  33          HD22      LEU  33  12.516  -6.427 -10.907
  337   HD23  LEU  33          HD23      LEU  33  10.822  -6.717 -10.518
  338    H    VAL  34           H        VAL  34   7.182  -5.334 -11.386
  339    HA   VAL  34           HA       VAL  34   4.777  -6.023 -12.964
  340    HB   VAL  34           HB       VAL  34   3.463  -5.140 -11.296
  341   HG11  VAL  34          HG11      VAL  34   5.876  -6.207  -9.819
  342   HG12  VAL  34          HG12      VAL  34   4.210  -6.167  -9.242
  343   HG13  VAL  34          HG13      VAL  34   4.646  -7.208 -10.622
  344   HG21  VAL  34          HG21      VAL  34   4.431  -2.951 -10.871
  345   HG22  VAL  34          HG22      VAL  34   4.324  -3.822  -9.344
  346   HG23  VAL  34          HG23      VAL  34   5.887  -3.693 -10.153
  347    H    ARG  35           H        ARG  35   7.026  -3.546 -12.901
  348    HA   ARG  35           HA       ARG  35   7.208  -1.416 -13.621
  349    HB2  ARG  35           HB2      ARG  35   5.401  -2.410 -15.856
  350    HB3  ARG  35           HB3      ARG  35   6.377  -0.935 -15.907
  351    HG2  ARG  35           HG2      ARG  35   8.442  -2.302 -15.603
  352    HG3  ARG  35           HG3      ARG  35   7.466  -3.776 -15.661
  353    HD2  ARG  35           HD2      ARG  35   7.686  -1.697 -17.879
  354    HD3  ARG  35           HD3      ARG  35   8.559  -3.222 -17.840
  355    HE   ARG  35           HE       ARG  35   5.724  -2.790 -18.484
  356   HH11  ARG  35          HH11      ARG  35   8.076  -5.266 -17.686
  357   HH12  ARG  35          HH12      ARG  35   7.101  -6.534 -18.378
  358   HH21  ARG  35          HH21      ARG  35   4.538  -4.454 -19.334
  359   HH22  ARG  35          HH22      ARG  35   5.156  -6.079 -19.287
  360    HA   PRO  36           HA       PRO  36   3.210  -0.201 -11.684
  361    HB2  PRO  36           HB2      PRO  36   4.175   1.183  -9.513
  362    HB3  PRO  36           HB3      PRO  36   3.995  -0.597  -9.572
  363    HG2  PRO  36           HG2      PRO  36   6.479   1.063  -9.940
  364    HG3  PRO  36           HG3      PRO  36   6.262  -0.499  -9.077
  365    HD2  PRO  36           HD2      PRO  36   7.267  -0.233 -11.661
  366    HD3  PRO  36           HD3      PRO  36   6.480  -1.705 -11.041
  367    H    LYS  37           H        LYS  37   2.163   1.857 -11.244
  368    HA   LYS  37           HA       LYS  37   2.658   3.903 -13.161
  369    HB2  LYS  37           HB2      LYS  37   1.031   4.009 -10.575
  370    HB3  LYS  37           HB3      LYS  37   0.995   5.250 -11.833
  371    HG2  LYS  37           HG2      LYS  37   0.315   3.432 -13.481
  372    HG3  LYS  37           HG3      LYS  37   0.091   2.364 -12.103
  373    HD2  LYS  37           HD2      LYS  37  -1.447   4.898 -12.766
  374    HD3  LYS  37           HD3      LYS  37  -2.021   3.234 -12.770
  375    HE2  LYS  37           HE2      LYS  37  -1.339   3.383 -10.157
  376    HE3  LYS  37           HE3      LYS  37  -1.548   5.105 -10.446
  377    HZ1  LYS  37           HZ1      LYS  37  -3.805   4.600 -11.278
  378    HZ2  LYS  37           HZ2      LYS  37  -3.639   4.052  -9.747
  379    HZ3  LYS  37           HZ3      LYS  37  -3.579   2.999 -11.001
  380    HA   PRO  38           HA       PRO  38   5.760   6.519 -11.288
  381    HB2  PRO  38           HB2      PRO  38   5.014   9.034 -12.137
  382    HB3  PRO  38           HB3      PRO  38   5.804   7.812 -13.176
  383    HG2  PRO  38           HG2      PRO  38   2.840   8.417 -12.944
  384    HG3  PRO  38           HG3      PRO  38   3.824   8.241 -14.432
  385    HD2  PRO  38           HD2      PRO  38   2.341   6.187 -13.497
  386    HD3  PRO  38           HD3      PRO  38   3.972   5.889 -14.168
  387    H    LEU  39           H        LEU  39   2.321   7.355 -10.837
  388    HA   LEU  39           HA       LEU  39   2.563   8.926  -8.480
  389    HB2  LEU  39           HB2      LEU  39   0.543   8.676  -9.975
  390    HB3  LEU  39           HB3      LEU  39   0.327   7.044  -9.343
  391    HG   LEU  39           HG       LEU  39   0.040   8.066  -7.023
  392   HD11  LEU  39          HD11      LEU  39  -0.082  10.646  -8.659
  393   HD12  LEU  39          HD12      LEU  39   1.115  10.257  -7.402
  394   HD13  LEU  39          HD13      LEU  39  -0.582  10.482  -6.964
  395   HD21  LEU  39          HD21      LEU  39  -2.258   8.795  -7.433
  396   HD22  LEU  39          HD22      LEU  39  -1.880   7.375  -8.418
  397   HD23  LEU  39          HD23      LEU  39  -1.914   8.984  -9.169
  398    H    LEU  40           H        LEU  40   2.536   5.385  -8.920
  399    HA   LEU  40           HA       LEU  40   2.474   4.846  -6.052
  400    HB2  LEU  40           HB2      LEU  40   1.511   3.249  -7.669
  401    HB3  LEU  40           HB3      LEU  40   3.085   3.043  -8.423
  402    HG   LEU  40           HG       LEU  40   4.008   2.089  -6.342
  403   HD11  LEU  40          HD11      LEU  40   2.663   3.188  -4.628
  404   HD12  LEU  40          HD12      LEU  40   2.399   1.445  -4.502
  405   HD13  LEU  40          HD13      LEU  40   1.179   2.482  -5.284
  406   HD21  LEU  40          HD21      LEU  40   3.282   0.020  -6.809
  407   HD22  LEU  40          HD22      LEU  40   2.393   0.787  -8.126
  408   HD23  LEU  40          HD23      LEU  40   1.569   0.424  -6.603
  409    H    LEU  41           H        LEU  41   4.952   4.773  -8.627
  410    HA   LEU  41           HA       LEU  41   7.188   4.039  -7.096
  411    HB2  LEU  41           HB2      LEU  41   7.216   4.169  -9.504
  412    HB3  LEU  41           HB3      LEU  41   6.875   5.895  -9.469
  413    HG   LEU  41           HG       LEU  41   9.066   6.386  -8.538
  414   HD11  LEU  41          HD11      LEU  41  10.842   4.615  -8.484
  415   HD12  LEU  41          HD12      LEU  41   9.586   3.394  -8.791
  416   HD13  LEU  41          HD13      LEU  41   9.591   4.336  -7.276
  417   HD21  LEU  41          HD21      LEU  41  10.394   5.820 -10.528
  418   HD22  LEU  41          HD22      LEU  41   8.753   6.313 -10.977
  419   HD23  LEU  41          HD23      LEU  41   9.197   4.592 -10.992
  420    H    LYS  42           H        LYS  42   5.798   7.327  -7.447
  421    HA   LYS  42           HA       LYS  42   7.586   8.780  -5.783
  422    HB2  LYS  42           HB2      LYS  42   5.811   9.763  -7.190
  423    HB3  LYS  42           HB3      LYS  42   4.572   9.029  -6.172
  424    HG2  LYS  42           HG2      LYS  42   5.474  10.415  -4.224
  425    HG3  LYS  42           HG3      LYS  42   6.485  11.263  -5.394
  426    HD2  LYS  42           HD2      LYS  42   3.439  11.056  -5.375
  427    HD3  LYS  42           HD3      LYS  42   4.365  12.464  -4.870
  428    HE2  LYS  42           HE2      LYS  42   4.266  11.317  -7.699
  429    HE3  LYS  42           HE3      LYS  42   3.325  12.690  -7.116
  430    HZ1  LYS  42           HZ1      LYS  42   5.414  13.877  -6.698
  431    HZ2  LYS  42           HZ2      LYS  42   5.309  13.449  -8.266
  432    HZ3  LYS  42           HZ3      LYS  42   6.295  12.621  -7.266
  433    H    LEU  43           H        LEU  43   4.799   6.751  -4.782
  434    HA   LEU  43           HA       LEU  43   4.982   7.411  -1.974
  435    HB2  LEU  43           HB2      LEU  43   2.957   6.605  -3.102
  436    HB3  LEU  43           HB3      LEU  43   3.678   5.029  -3.364
  437    HG   LEU  43           HG       LEU  43   3.478   6.121  -0.554
  438   HD11  LEU  43          HD11      LEU  43   1.223   6.352  -1.641
  439   HD12  LEU  43          HD12      LEU  43   1.261   5.178  -0.314
  440   HD13  LEU  43          HD13      LEU  43   1.276   4.609  -1.990
  441   HD21  LEU  43          HD21      LEU  43   4.682   3.968  -0.788
  442   HD22  LEU  43          HD22      LEU  43   3.337   3.299  -1.736
  443   HD23  LEU  43          HD23      LEU  43   3.124   3.696  -0.021
  444    H    LEU  44           H        LEU  44   6.330   4.721  -3.948
  445    HA   LEU  44           HA       LEU  44   7.636   3.395  -1.749
  446    HB2  LEU  44           HB2      LEU  44   8.706   3.404  -4.578
  447    HB3  LEU  44           HB3      LEU  44   8.837   2.146  -3.356
  448    HG   LEU  44           HG       LEU  44   6.344   2.915  -4.901
  449   HD11  LEU  44          HD11      LEU  44   8.000   1.725  -6.235
  450   HD12  LEU  44          HD12      LEU  44   6.567   0.728  -5.946
  451   HD13  LEU  44          HD13      LEU  44   8.060   0.425  -5.027
  452   HD21  LEU  44          HD21      LEU  44   5.803   2.078  -2.579
  453   HD22  LEU  44          HD22      LEU  44   6.654   0.577  -3.010
  454   HD23  LEU  44          HD23      LEU  44   5.199   1.058  -3.894
  455    H    LYS  45           H        LYS  45   8.763   5.946  -3.986
  456    HA   LYS  45           HA       LYS  45  11.379   6.239  -2.793
  457    HB2  LYS  45           HB2      LYS  45   9.739   8.024  -4.606
  458    HB3  LYS  45           HB3      LYS  45  11.417   8.361  -4.142
  459    HG2  LYS  45           HG2      LYS  45  12.213   6.297  -5.148
  460    HG3  LYS  45           HG3      LYS  45  10.578   5.723  -5.433
  461    HD2  LYS  45           HD2      LYS  45  11.199   6.483  -7.504
  462    HD3  LYS  45           HD3      LYS  45  10.252   7.847  -6.880
  463    HE2  LYS  45           HE2      LYS  45  12.510   8.807  -6.136
  464    HE3  LYS  45           HE3      LYS  45  13.247   7.440  -7.020
  465    HZ1  LYS  45           HZ1      LYS  45  11.545   9.548  -8.253
  466    HZ2  LYS  45           HZ2      LYS  45  12.235   8.299  -9.057
  467    HZ3  LYS  45           HZ3      LYS  45  13.166   9.459  -8.390
  468    H    SER  46           H        SER  46   8.288   7.608  -1.870
  469    HA   SER  46           HA       SER  46   9.286   9.622  -0.075
  470    HB2  SER  46           HB2      SER  46   6.728   7.978   0.084
  471    HB3  SER  46           HB3      SER  46   7.106   9.392   1.073
  472    HG   SER  46           HG       SER  46   6.961   9.339  -1.776
  473    H    VAL  47           H        VAL  47   9.247   6.135   0.178
  474    HA   VAL  47           HA       VAL  47  10.507   6.340   2.876
  475    HB   VAL  47           HB       VAL  47   9.949   4.066   3.332
  476   HG11  VAL  47          HG11      VAL  47   7.458   5.538   2.402
  477   HG12  VAL  47          HG12      VAL  47   7.591   4.292   3.664
  478   HG13  VAL  47          HG13      VAL  47   8.340   5.878   3.905
  479   HG21  VAL  47          HG21      VAL  47   8.349   3.976   0.745
  480   HG22  VAL  47          HG22      VAL  47   9.914   3.175   0.981
  481   HG23  VAL  47          HG23      VAL  47   8.511   2.697   1.958
  482    H    GLY  48           H        GLY  48  11.623   6.635   0.015
  483    HA2  GLY  48           HA2      GLY  48  13.813   6.650  -0.612
  484    HA3  GLY  48           HA3      GLY  48  14.235   5.744   0.838
  485    H    ALA  49           H        ALA  49  11.980   4.541  -1.719
  486    HA   ALA  49           HA       ALA  49  13.491   2.091  -1.924
  487    HB1  ALA  49           HB1      ALA  49  11.011   2.343  -2.055
  488    HB2  ALA  49           HB2      ALA  49  11.216   3.113  -3.648
  489    HB3  ALA  49           HB3      ALA  49  11.716   1.418  -3.373
  490    H    GLN  50           H        GLN  50  15.016   1.483  -3.379
  491    HA   GLN  50           HA       GLN  50  16.404   3.618  -4.733
  492    HB2  GLN  50           HB2      GLN  50  17.532   1.963  -3.348
  493    HB3  GLN  50           HB3      GLN  50  16.971   0.657  -4.387
  494    HG2  GLN  50           HG2      GLN  50  19.305   1.083  -4.812
  495    HG3  GLN  50           HG3      GLN  50  18.375   1.475  -6.244
  496   HE21  GLN  50          HE21      GLN  50  20.426   2.689  -6.812
  497   HE22  GLN  50          HE22      GLN  50  20.612   4.312  -6.160
  498    H    LYS  51           H        LYS  51  14.618   0.823  -5.974
  499    HA   LYS  51           HA       LYS  51  15.730   0.976  -8.675
  500    HB2  LYS  51           HB2      LYS  51  13.666  -0.720  -7.245
  501    HB3  LYS  51           HB3      LYS  51  13.750  -0.775  -8.978
  502    HG2  LYS  51           HG2      LYS  51  16.060  -1.426  -7.121
  503    HG3  LYS  51           HG3      LYS  51  14.975  -2.597  -7.854
  504    HD2  LYS  51           HD2      LYS  51  17.020  -0.848  -9.248
  505    HD3  LYS  51           HD3      LYS  51  17.010  -2.599  -9.109
  506    HE2  LYS  51           HE2      LYS  51  15.192  -0.861 -10.818
  507    HE3  LYS  51           HE3      LYS  51  16.450  -1.954 -11.367
  508    HZ1  LYS  51           HZ1      LYS  51  13.914  -2.770 -10.053
  509    HZ2  LYS  51           HZ2      LYS  51  15.090  -3.819 -10.481
  510    HZ3  LYS  51           HZ3      LYS  51  14.264  -2.940 -11.619
  511    H    ASP  52           H        ASP  52  14.487   1.027 -10.611
  512    HA   ASP  52           HA       ASP  52  12.193   2.880 -10.633
  513    HB2  ASP  52           HB2      ASP  52  12.489   2.783 -13.119
  514    HB3  ASP  52           HB3      ASP  52  13.763   3.546 -12.185
  515    H    THR  53           H        THR  53  12.745  -0.495 -10.665
  516    HA   THR  53           HA       THR  53   9.878  -1.059 -11.299
  517    HB   THR  53           HB       THR  53  10.774  -3.177 -12.464
  518    HG1  THR  53           HG1      THR  53  12.817  -2.649 -13.576
  519   HG21  THR  53          HG21      THR  53   9.664  -1.353 -13.668
  520   HG22  THR  53          HG22      THR  53  10.924  -2.132 -14.635
  521   HG23  THR  53          HG23      THR  53  11.233  -0.541 -13.893
  522    H    TYR  54           H        TYR  54   9.048  -2.780 -10.234
  523    HA   TYR  54           HA       TYR  54  10.616  -4.122  -8.091
  524    HB2  TYR  54           HB2      TYR  54   8.051  -2.514  -7.791
  525    HB3  TYR  54           HB3      TYR  54   8.787  -3.478  -6.525
  526    HD1  TYR  54           HD1      TYR  54  10.890  -2.787  -5.427
  527    HD2  TYR  54           HD2      TYR  54   8.993  -0.353  -8.445
  528    HE1  TYR  54           HE1      TYR  54  12.262  -0.824  -4.719
  529    HE2  TYR  54           HE2      TYR  54  10.420   1.574  -7.777
  530    HH   TYR  54           HH       TYR  54  12.331   2.147  -6.605
  531    H    THR  55           H        THR  55   9.453  -5.855  -7.023
  532    HA   THR  55           HA       THR  55   7.506  -7.300  -8.709
  533    HB   THR  55           HB       THR  55   7.874  -9.212  -7.573
  534    HG1  THR  55           HG1      THR  55   8.892  -9.229  -5.503
  535   HG21  THR  55          HG21      THR  55   9.989  -8.423  -8.689
  536   HG22  THR  55          HG22      THR  55  10.225  -9.561  -7.355
  537   HG23  THR  55          HG23      THR  55  10.556  -7.847  -7.105
  538    H    MET  56           H        MET  56   5.495  -8.342  -7.653
  539    HA   MET  56           HA       MET  56   3.867  -6.392  -6.376
  540    HB2  MET  56           HB2      MET  56   3.584  -9.430  -6.351
  541    HB3  MET  56           HB3      MET  56   2.345  -8.261  -5.877
  542    HG2  MET  56           HG2      MET  56   2.612  -7.241  -8.214
  543    HG3  MET  56           HG3      MET  56   3.505  -8.675  -8.650
  544    HE1  MET  56           HE1      MET  56   0.302  -7.437  -6.986
  545    HE2  MET  56           HE2      MET  56   0.479  -6.912  -8.668
  546    HE3  MET  56           HE3      MET  56  -0.891  -7.974  -8.210
  547    H    LYS  57           H        LYS  57   5.874  -8.996  -4.905
  548    HA   LYS  57           HA       LYS  57   5.081  -8.496  -2.171
  549    HB2  LYS  57           HB2      LYS  57   6.047 -10.576  -2.763
  550    HB3  LYS  57           HB3      LYS  57   7.492  -9.821  -3.446
  551    HG2  LYS  57           HG2      LYS  57   8.343  -9.171  -1.342
  552    HG3  LYS  57           HG3      LYS  57   6.804  -9.414  -0.510
  553    HD2  LYS  57           HD2      LYS  57   8.315 -11.672  -1.843
  554    HD3  LYS  57           HD3      LYS  57   8.612 -11.175  -0.152
  555    HE2  LYS  57           HE2      LYS  57   6.351 -11.666   0.498
  556    HE3  LYS  57           HE3      LYS  57   5.852 -11.944  -1.173
  557    HZ1  LYS  57           HZ1      LYS  57   7.287 -13.916  -1.227
  558    HZ2  LYS  57           HZ2      LYS  57   6.210 -14.025  -0.030
  559    HZ3  LYS  57           HZ3      LYS  57   7.754 -13.673   0.337
  560    H    GLU  58           H        GLU  58   7.705  -7.129  -4.192
  561    HA   GLU  58           HA       GLU  58   8.836  -5.545  -2.055
  562    HB2  GLU  58           HB2      GLU  58   8.974  -5.367  -5.069
  563    HB3  GLU  58           HB3      GLU  58   9.825  -4.242  -3.995
  564    HG2  GLU  58           HG2      GLU  58  11.034  -6.068  -2.925
  565    HG3  GLU  58           HG3      GLU  58  10.183  -7.264  -3.911
  566    H    VAL  59           H        VAL  59   6.406  -4.714  -4.582
  567    HA   VAL  59           HA       VAL  59   6.010  -1.987  -3.746
  568    HB   VAL  59           HB       VAL  59   4.138  -3.975  -5.103
  569   HG11  VAL  59          HG11      VAL  59   2.746  -2.265  -3.971
  570   HG12  VAL  59          HG12      VAL  59   3.738  -0.981  -4.681
  571   HG13  VAL  59          HG13      VAL  59   2.738  -2.032  -5.715
  572   HG21  VAL  59          HG21      VAL  59   5.677  -1.562  -6.173
  573   HG22  VAL  59          HG22      VAL  59   6.118  -3.256  -6.439
  574   HG23  VAL  59          HG23      VAL  59   4.610  -2.628  -7.114
  575    H    LEU  60           H        LEU  60   4.328  -5.045  -2.744
  576    HA   LEU  60           HA       LEU  60   2.649  -3.835  -0.791
  577    HB2  LEU  60           HB2      LEU  60   3.844  -6.617  -1.044
  578    HB3  LEU  60           HB3      LEU  60   2.790  -6.188   0.294
  579    HG   LEU  60           HG       LEU  60   1.928  -5.928  -2.619
  580   HD11  LEU  60          HD11      LEU  60   1.424  -8.161  -0.612
  581   HD12  LEU  60          HD12      LEU  60   2.449  -8.279  -2.060
  582   HD13  LEU  60          HD13      LEU  60   0.704  -8.038  -2.235
  583   HD21  LEU  60          HD21      LEU  60   0.584  -4.562  -1.060
  584   HD22  LEU  60          HD22      LEU  60   0.366  -5.964   0.001
  585   HD23  LEU  60          HD23      LEU  60  -0.351  -5.948  -1.629
  586    H    PHE  61           H        PHE  61   5.968  -5.242  -0.377
  587    HA   PHE  61           HA       PHE  61   6.261  -4.675   2.346
  588    HB2  PHE  61           HB2      PHE  61   7.852  -6.091   1.401
  589    HB3  PHE  61           HB3      PHE  61   8.246  -4.960   0.130
  590    HD1  PHE  61           HD2      PHE  61   8.783  -5.735   3.710
  591    HD2  PHE  61           HD1      PHE  61   9.843  -3.153   0.419
  592    HE1  PHE  61           HE2      PHE  61  10.668  -4.813   5.037
  593    HE2  PHE  61           HE1      PHE  61  11.725  -2.238   1.748
  594    HZ   PHE  61           HZ       PHE  61  12.136  -3.057   4.061
  595    H    TYR  62           H        TYR  62   7.371  -2.528  -0.267
  596    HA   TYR  62           HA       TYR  62   8.042  -0.400   1.493
  597    HB2  TYR  62           HB2      TYR  62   7.577  -0.548  -1.452
  598    HB3  TYR  62           HB3      TYR  62   7.879   0.998  -0.667
  599    HD1  TYR  62           HD1      TYR  62  10.003   0.893   1.072
  600    HD2  TYR  62           HD2      TYR  62   9.440  -1.538  -2.447
  601    HE1  TYR  62           HE1      TYR  62  12.465   0.636   0.860
  602    HE2  TYR  62           HE2      TYR  62  11.901  -1.840  -2.624
  603    HH   TYR  62           HH       TYR  62  14.186  -0.357  -0.297
  604    H    LEU  63           H        LEU  63   4.935  -1.021  -0.109
  605    HA   LEU  63           HA       LEU  63   3.670   1.394   0.727
  606    HB2  LEU  63           HB2      LEU  63   2.821   0.050  -1.077
  607    HB3  LEU  63           HB3      LEU  63   2.666  -1.366  -0.036
  608    HG   LEU  63           HG       LEU  63   0.843  -0.358   1.202
  609   HD11  LEU  63          HD11      LEU  63   1.518   2.038   1.068
  610   HD12  LEU  63          HD12      LEU  63  -0.143   1.752   0.583
  611   HD13  LEU  63          HD13      LEU  63   1.107   2.033  -0.661
  612   HD21  LEU  63          HD21      LEU  63  -0.827  -0.284  -0.600
  613   HD22  LEU  63          HD22      LEU  63   0.347  -1.570  -0.927
  614   HD23  LEU  63          HD23      LEU  63   0.449  -0.038  -1.809
  615    H    GLY  64           H        GLY  64   3.871  -1.843   2.327
  616    HA2  GLY  64           HA2      GLY  64   2.319  -1.169   4.637
  617    HA3  GLY  64           HA3      GLY  64   3.554  -2.425   4.541
  618    H    GLN  65           H        GLN  65   5.868  -0.922   4.046
  619    HA   GLN  65           HA       GLN  65   6.556   0.250   6.574
  620    HB2  GLN  65           HB2      GLN  65   7.840   0.486   3.825
  621    HB3  GLN  65           HB3      GLN  65   8.562   1.120   5.297
  622    HG2  GLN  65           HG2      GLN  65   7.893  -1.820   4.827
  623    HG3  GLN  65           HG3      GLN  65   9.477  -1.102   4.610
  624   HE21  GLN  65          HE21      GLN  65   8.752  -3.299   6.412
  625   HE22  GLN  65          HE22      GLN  65   9.168  -2.726   8.020
  626    H    TYR  66           H        TYR  66   5.316   1.753   3.566
  627    HA   TYR  66           HA       TYR  66   5.561   4.448   4.513
  628    HB2  TYR  66           HB2      TYR  66   5.500   4.127   2.193
  629    HB3  TYR  66           HB3      TYR  66   4.023   3.204   2.272
  630    HD1  TYR  66           HD1      TYR  66   1.811   4.300   2.740
  631    HD2  TYR  66           HD2      TYR  66   5.436   6.542   2.071
  632    HE1  TYR  66           HE1      TYR  66   0.472   6.339   2.242
  633    HE2  TYR  66           HE2      TYR  66   4.099   8.559   1.536
  634    HH   TYR  66           HH       TYR  66   1.981   9.408   1.204
  635    H    ILE  67           H        ILE  67   2.782   2.233   4.535
  636    HA   ILE  67           HA       ILE  67   0.956   3.975   5.837
  637    HB   ILE  67           HB       ILE  67   1.167   0.946   5.802
  638   HG12  ILE  67          HG12      ILE  67  -0.828   2.695   4.308
  639   HG13  ILE  67          HG13      ILE  67   0.759   2.336   3.628
  640   HG21  ILE  67          HG21      ILE  67  -1.318   1.044   6.444
  641   HG22  ILE  67          HG22      ILE  67  -0.184   1.445   7.728
  642   HG23  ILE  67          HG23      ILE  67  -1.051   2.736   6.876
  643   HD11  ILE  67          HD11      ILE  67   0.317  -0.081   3.711
  644   HD12  ILE  67          HD12      ILE  67  -1.310   0.230   4.360
  645   HD13  ILE  67          HD13      ILE  67  -0.882   0.784   2.737
  646    H    MET  68           H        MET  68   3.382   1.753   7.268
  647    HA   MET  68           HA       MET  68   2.713   2.309  10.005
  648    HB2  MET  68           HB2      MET  68   5.248   1.306   8.687
  649    HB3  MET  68           HB3      MET  68   5.109   1.569  10.434
  650    HG2  MET  68           HG2      MET  68   3.063   0.120  10.452
  651    HG3  MET  68           HG3      MET  68   3.392  -0.294   8.771
  652    HE1  MET  68           HE1      MET  68   6.631  -0.656   8.744
  653    HE2  MET  68           HE2      MET  68   6.612  -2.423   8.954
  654    HE3  MET  68           HE3      MET  68   5.382  -1.634   7.941
  655    H    THR  69           H        THR  69   5.363   3.773   8.000
  656    HA   THR  69           HA       THR  69   6.077   5.571  10.095
  657    HB   THR  69           HB       THR  69   7.523   4.811   8.181
  658    HG1  THR  69           HG1      THR  69   8.733   6.671   8.383
  659   HG21  THR  69          HG21      THR  69   6.354   7.281   6.809
  660   HG22  THR  69          HG22      THR  69   6.080   5.598   6.311
  661   HG23  THR  69          HG23      THR  69   7.710   6.276   6.252
  662    H    LYS  70           H        LYS  70   3.758   5.988   7.508
  663    HA   LYS  70           HA       LYS  70   3.064   8.754   8.191
  664    HB2  LYS  70           HB2      LYS  70   1.784   6.601   6.473
  665    HB3  LYS  70           HB3      LYS  70   1.153   8.226   6.601
  666    HG2  LYS  70           HG2      LYS  70   4.033   7.755   5.724
  667    HG3  LYS  70           HG3      LYS  70   2.704   7.555   4.601
  668    HD2  LYS  70           HD2      LYS  70   3.252  10.134   6.131
  669    HD3  LYS  70           HD3      LYS  70   3.781   9.788   4.471
  670    HE2  LYS  70           HE2      LYS  70   1.374   9.347   3.854
  671    HE3  LYS  70           HE3      LYS  70   0.897   9.887   5.463
  672    HZ1  LYS  70           HZ1      LYS  70   0.686  11.633   3.877
  673    HZ2  LYS  70           HZ2      LYS  70   2.265  11.564   3.436
  674    HZ3  LYS  70           HZ3      LYS  70   1.854  12.065   4.948
  675    H    ARG  71           H        ARG  71   2.200   5.694   9.542
  676    HA   ARG  71           HA       ARG  71   0.650   4.888  10.884
  677    HB2  ARG  71           HB2      ARG  71   1.894   6.744  12.238
  678    HB3  ARG  71           HB3      ARG  71   0.359   7.618  12.156
  679    HG2  ARG  71           HG2      ARG  71  -0.707   5.393  13.046
  680    HG3  ARG  71           HG3      ARG  71   0.959   4.865  13.301
  681    HD2  ARG  71           HD2      ARG  71   0.107   5.719  15.394
  682    HD3  ARG  71           HD3      ARG  71   1.317   6.862  14.782
  683    HE   ARG  71           HE       ARG  71  -1.374   7.546  13.925
  684   HH11  ARG  71          HH11      ARG  71   0.730   7.856  16.710
  685   HH12  ARG  71          HH12      ARG  71  -0.090   9.282  17.285
  686   HH21  ARG  71          HH22      ARG  71  -2.375   9.362  14.714
  687   HH22  ARG  71          HH21      ARG  71  -1.810  10.100  16.184
  688    H    LEU  72           H        LEU  72  -0.472   5.186   8.555
  689    HA   LEU  72           HA       LEU  72  -2.898   6.813   8.597
  690    HB2  LEU  72           HB2      LEU  72  -2.118   4.606   6.663
  691    HB3  LEU  72           HB3      LEU  72  -3.406   5.774   6.432
  692    HG   LEU  72           HG       LEU  72  -0.442   6.415   6.597
  693   HD11  LEU  72          HD11      LEU  72  -1.046   5.260   4.527
  694   HD12  LEU  72          HD12      LEU  72  -0.664   6.960   4.212
  695   HD13  LEU  72          HD13      LEU  72  -2.358   6.427   4.237
  696   HD21  LEU  72          HD21      LEU  72  -1.174   8.682   5.785
  697   HD22  LEU  72          HD22      LEU  72  -1.715   8.310   7.427
  698   HD23  LEU  72          HD23      LEU  72  -2.858   8.192   6.067
  699    H    TYR  73           H        TYR  73  -2.284   3.795  10.037
  700    HA   TYR  73           HA       TYR  73  -4.968   2.768   9.718
  701    HB2  TYR  73           HB2      TYR  73  -4.378   1.180  11.568
  702    HB3  TYR  73           HB3      TYR  73  -3.537   1.065  10.040
  703    HD1  TYR  73           HD2      TYR  73  -3.193   2.429  13.507
  704    HD2  TYR  73           HD1      TYR  73  -1.165   1.137   9.922
  705    HE1  TYR  73           HE2      TYR  73  -1.012   2.594  14.687
  706    HE2  TYR  73           HE1      TYR  73   1.018   1.293  11.112
  707    HH   TYR  73           HH       TYR  73   1.267   2.367  14.519
  708    H    ASP  74           H        ASP  74  -6.645   2.433  11.238
  709    HA   ASP  74           HA       ASP  74  -7.268   4.759  12.795
  710    HB2  ASP  74           HB2      ASP  74  -9.086   3.739  11.945
  711    HB3  ASP  74           HB3      ASP  74  -8.603   2.131  12.439
  712    H    GLU  75           H        GLU  75  -7.008   5.308  14.910
  713    HA   GLU  75           HA       GLU  75  -5.028   3.985  16.510
  714    HB2  GLU  75           HB2      GLU  75  -5.640   5.578  18.237
  715    HB3  GLU  75           HB3      GLU  75  -5.453   6.371  16.668
  716    HG2  GLU  75           HG2      GLU  75  -7.945   6.400  16.417
  717    HG3  GLU  75           HG3      GLU  75  -8.097   5.664  18.017
  718    H    LYS  76           H        LYS  76  -8.511   3.542  16.304
  719    HA   LYS  76           HA       LYS  76  -8.585   1.716  18.651
  720    HB2  LYS  76           HB2      LYS  76 -10.786   2.297  16.621
  721    HB3  LYS  76           HB3      LYS  76 -10.924   1.388  18.124
  722    HG2  LYS  76           HG2      LYS  76 -10.264   3.460  19.364
  723    HG3  LYS  76           HG3      LYS  76 -10.237   4.349  17.846
  724    HD2  LYS  76           HD2      LYS  76 -12.332   4.822  18.918
  725    HD3  LYS  76           HD3      LYS  76 -12.621   3.872  17.467
  726    HE2  LYS  76           HE2      LYS  76 -14.092   3.091  19.200
  727    HE3  LYS  76           HE3      LYS  76 -12.916   1.825  18.857
  728    HZ1  LYS  76           HZ1      LYS  76 -11.696   2.518  20.862
  729    HZ2  LYS  76           HZ2      LYS  76 -13.239   2.158  21.250
  730    HZ3  LYS  76           HZ3      LYS  76 -12.772   3.715  21.151
  731    H    GLN  77           H        GLN  77  -9.540   1.297  15.233
  732    HA   GLN  77           HA       GLN  77  -8.758  -1.569  15.374
  733    HB2  GLN  77           HB2      GLN  77 -10.185  -0.084  13.139
  734    HB3  GLN  77           HB3      GLN  77  -9.971  -1.825  13.299
  735    HG2  GLN  77           HG2      GLN  77 -11.661  -0.027  15.071
  736    HG3  GLN  77           HG3      GLN  77 -12.238  -1.176  13.875
  737   HE21  GLN  77          HE21      GLN  77 -13.153  -1.243  16.554
  738   HE22  GLN  77          HE22      GLN  77 -12.547  -2.726  17.280
  739    H    GLN  78           H        GLN  78  -6.478  -1.284  15.447
  740    HA   GLN  78           HA       GLN  78  -5.094   0.231  13.440
  741    HB2  GLN  78           HB2      GLN  78  -3.038  -0.681  14.442
  742    HB3  GLN  78           HB3      GLN  78  -4.156   0.068  15.570
  743    HG2  GLN  78           HG2      GLN  78  -4.967  -2.296  16.177
  744    HG3  GLN  78           HG3      GLN  78  -3.625  -2.913  15.208
  745   HE21  GLN  78          HE21      GLN  78  -4.004  -0.261  17.715
  746   HE22  GLN  78          HE22      GLN  78  -2.587  -0.777  18.609
  747    H    HIS  79           H        HIS  79  -6.595  -2.705  13.065
  748    HA   HIS  79           HA       HIS  79  -4.859  -3.635  10.861
  749    HB2  HIS  79           HB2      HIS  79  -6.233  -5.573  10.833
  750    HB3  HIS  79           HB3      HIS  79  -5.844  -5.201  12.514
  751    HD1  HIS  79           HD1      HIS  79  -7.924  -4.619  14.127
  752    HD2  HIS  79           HD2      HIS  79  -8.817  -5.316  10.073
  753    HE1  HIS  79           HE1      HIS  79 -10.455  -4.843  13.983
  754    H    ILE  80           H        ILE  80  -7.050  -1.154  11.112
  755    HA   ILE  80           HA       ILE  80  -7.982  -1.457   8.289
  756    HB   ILE  80           HB       ILE  80  -9.340   0.107  10.507
  757   HG12  ILE  80          HG12      ILE  80  -9.994  -2.643   9.365
  758   HG13  ILE  80          HG13      ILE  80  -9.537  -2.260  11.022
  759   HG21  ILE  80          HG21      ILE  80  -9.675   0.954   8.141
  760   HG22  ILE  80          HG22      ILE  80 -10.371  -0.628   7.734
  761   HG23  ILE  80          HG23      ILE  80 -11.152   0.426   8.926
  762   HD11  ILE  80          HD11      ILE  80 -11.876  -2.657  11.025
  763   HD12  ILE  80          HD12      ILE  80 -11.657  -0.908  11.239
  764   HD13  ILE  80          HD13      ILE  80 -12.155  -1.564   9.660
  765    H    VAL  81           H        VAL  81  -7.282  -0.028   6.879
  766    HA   VAL  81           HA       VAL  81  -5.577   2.217   7.775
  767    HB   VAL  81           HB       VAL  81  -5.861   1.250   4.936
  768   HG11  VAL  81          HG11      VAL  81  -3.618   2.284   4.699
  769   HG12  VAL  81          HG12      VAL  81  -4.817   3.473   5.199
  770   HG13  VAL  81          HG13      VAL  81  -3.680   2.804   6.396
  771   HG21  VAL  81          HG21      VAL  81  -5.094  -0.682   6.171
  772   HG22  VAL  81          HG22      VAL  81  -3.721   0.010   5.316
  773   HG23  VAL  81          HG23      VAL  81  -3.903   0.297   7.064
  774    H    TYR  82           H        TYR  82  -6.037   4.300   7.491
  775    HA   TYR  82           HA       TYR  82  -8.459   5.083   5.987
  776    HB2  TYR  82           HB2      TYR  82  -7.457   6.129   8.604
  777    HB3  TYR  82           HB3      TYR  82  -8.532   7.055   7.566
  778    HD1  TYR  82           HD1      TYR  82  -8.231   3.851   9.436
  779    HD2  TYR  82           HD2      TYR  82 -10.868   6.573   7.374
  780    HE1  TYR  82           HE1      TYR  82 -10.194   2.602  10.302
  781    HE2  TYR  82           HE2      TYR  82 -12.838   5.311   8.231
  782    HH   TYR  82           HH       TYR  82 -13.565   3.546   9.505
  783    H    CYS  83           H        CYS  83  -7.051   4.977   4.163
  784    HA   CYS  83           HA       CYS  83  -4.867   6.793   3.830
  785    HB2  CYS  83           HB2      CYS  83  -4.997   5.903   1.445
  786    HB3  CYS  83           HB3      CYS  83  -4.764   4.731   2.743
  787    HG   CYS  83           HG       CYS  83  -7.531   5.450   1.029
  788    H    SER  84           H        SER  84  -8.073   7.641   3.769
  789    HA   SER  84           HA       SER  84  -8.598   9.185   1.588
  790    HB2  SER  84           HB2      SER  84 -10.090   8.732   3.568
  791    HB3  SER  84           HB3      SER  84  -9.239  10.012   4.442
  792    HG   SER  84           HG       SER  84 -11.141  10.782   3.410
  793    H    ASN  85           H        ASN  85  -8.424  11.257   0.896
  794    HA   ASN  85           HA       ASN  85  -7.440  13.201   0.345
  795    HB2  ASN  85           HB2      ASN  85  -7.585  13.574   3.353
  796    HB3  ASN  85           HB3      ASN  85  -7.362  14.877   2.191
  797   HD21  ASN  85          HD21      ASN  85  -9.602  14.326   4.120
  798   HD22  ASN  85          HD22      ASN  85 -11.027  14.383   3.092
  799    H    ASP  86           H        ASP  86  -5.468  11.070   0.603
  800    HA   ASP  86           HA       ASP  86  -3.039  12.774   0.613
  801    HB2  ASP  86           HB2      ASP  86  -3.548  11.543   2.915
  802    HB3  ASP  86           HB3      ASP  86  -3.027  10.095   2.055
  803    H    LEU  87           H        LEU  87  -1.169  11.271  -0.173
  804    HA   LEU  87           HA       LEU  87  -1.615  10.588  -2.844
  805    HB2  LEU  87           HB2      LEU  87   0.534  11.204  -1.951
  806    HB3  LEU  87           HB3      LEU  87   0.568   9.793  -0.897
  807    HG   LEU  87           HG       LEU  87   0.805   8.288  -2.823
  808   HD11  LEU  87          HD11      LEU  87   1.260   9.194  -5.067
  809   HD12  LEU  87          HD12      LEU  87   0.825  10.828  -4.509
  810   HD13  LEU  87          HD13      LEU  87  -0.395   9.533  -4.569
  811   HD21  LEU  87          HD21      LEU  87   2.741  10.638  -2.876
  812   HD22  LEU  87          HD22      LEU  87   3.060   9.020  -3.534
  813   HD23  LEU  87          HD23      LEU  87   2.826   9.234  -1.787
  814    H    LEU  88           H        LEU  88  -1.607   8.332  -0.053
  815    HA   LEU  88           HA       LEU  88  -1.872   6.003  -1.708
  816    HB2  LEU  88           HB2      LEU  88  -0.917   5.950   0.529
  817    HB3  LEU  88           HB3      LEU  88  -2.474   6.404   1.239
  818    HG   LEU  88           HG       LEU  88  -3.474   4.289   0.435
  819   HD11  LEU  88          HD11      LEU  88  -2.225   3.832  -1.602
  820   HD12  LEU  88          HD12      LEU  88  -1.920   2.519  -0.488
  821   HD13  LEU  88          HD13      LEU  88  -0.694   3.776  -0.703
  822   HD21  LEU  88          HD21      LEU  88  -0.856   3.878   1.911
  823   HD22  LEU  88          HD22      LEU  88  -2.256   2.777   1.910
  824   HD23  LEU  88          HD23      LEU  88  -2.400   4.389   2.630
  825    H    GLY  89           H        GLY  89  -4.319   8.077  -0.142
  826    HA2  GLY  89           HA2      GLY  89  -6.639   6.528  -0.861
  827    HA3  GLY  89           HA3      GLY  89  -6.587   8.269  -0.541
  828    H    ASP  90           H        ASP  90  -4.762   9.043  -2.584
  829    HA   ASP  90           HA       ASP  90  -6.391   9.036  -4.966
  830    HB2  ASP  90           HB2      ASP  90  -3.581   9.995  -4.410
  831    HB3  ASP  90           HB3      ASP  90  -4.293  10.039  -6.017
  832    H    LEU  91           H        LEU  91  -3.686   7.004  -4.010
  833    HA   LEU  91           HA       LEU  91  -3.473   5.586  -6.530
  834    HB2  LEU  91           HB2      LEU  91  -2.546   5.149  -3.684
  835    HB3  LEU  91           HB3      LEU  91  -2.389   3.852  -4.846
  836    HG   LEU  91           HG       LEU  91  -1.133   6.585  -5.266
  837   HD11  LEU  91          HD11      LEU  91  -0.253   5.606  -3.310
  838   HD12  LEU  91          HD12      LEU  91   0.944   5.518  -4.604
  839   HD13  LEU  91          HD13      LEU  91   0.030   4.055  -4.127
  840   HD21  LEU  91          HD21      LEU  91  -1.510   5.216  -7.354
  841   HD22  LEU  91          HD22      LEU  91  -0.641   3.874  -6.583
  842   HD23  LEU  91          HD23      LEU  91   0.192   5.399  -6.947
  843    H    PHE  92           H        PHE  92  -4.976   4.589  -3.380
  844    HA   PHE  92           HA       PHE  92  -6.155   2.269  -4.585
  845    HB2  PHE  92           HB2      PHE  92  -6.403   3.490  -1.859
  846    HB3  PHE  92           HB3      PHE  92  -7.478   2.208  -2.362
  847    HD1  PHE  92           HD1      PHE  92  -6.143   0.172  -3.658
  848    HD2  PHE  92           HD2      PHE  92  -4.720   2.642  -0.445
  849    HE1  PHE  92           HE1      PHE  92  -4.634  -1.664  -2.926
  850    HE2  PHE  92           HE2      PHE  92  -3.216   0.800   0.295
  851    HZ   PHE  92           HZ       PHE  92  -3.150  -1.336  -0.956
  852    H    GLY  93           H        GLY  93  -7.466   5.476  -4.328
  853    HA2  GLY  93           HA2      GLY  93  -9.365   6.334  -5.316
  854    HA3  GLY  93           HA3      GLY  93  -9.781   4.738  -5.947
  855    H    VAL  94           H        VAL  94  -9.215   4.941  -2.515
  856    HA   VAL  94           HA       VAL  94 -12.083   5.271  -1.826
  857    HB   VAL  94           HB       VAL  94 -11.833   3.312  -0.202
  858   HG11  VAL  94          HG11      VAL  94 -11.913   2.624  -3.157
  859   HG12  VAL  94          HG12      VAL  94 -12.556   1.653  -1.815
  860   HG13  VAL  94          HG13      VAL  94 -13.273   3.233  -2.182
  861   HG21  VAL  94          HG21      VAL  94  -9.685   2.337  -2.104
  862   HG22  VAL  94          HG22      VAL  94  -9.351   2.963  -0.468
  863   HG23  VAL  94          HG23      VAL  94 -10.334   1.507  -0.682
  864    HA   PRO  95           HA       PRO  95 -10.237   7.464   1.567
  865    HB2  PRO  95           HB2      PRO  95 -12.244   7.479   3.426
  866    HB3  PRO  95           HB3      PRO  95 -12.357   8.364   1.875
  867    HG2  PRO  95           HG2      PRO  95 -13.462   5.603   2.517
  868    HG3  PRO  95           HG3      PRO  95 -14.324   6.994   1.782
  869    HD2  PRO  95           HD2      PRO  95 -13.257   5.027   0.262
  870    HD3  PRO  95           HD3      PRO  95 -13.188   6.732  -0.269
  871    H    SER  96           H        SER  96 -11.424   4.174   2.142
  872    HA   SER  96           HA       SER  96  -9.272   3.591   3.994
  873    HB2  SER  96           HB2      SER  96 -10.738   2.967   5.894
  874    HB3  SER  96           HB3      SER  96 -10.841   4.692   5.522
  875    HG   SER  96           HG       SER  96 -12.908   3.738   5.859
  876    H    PHE  97           H        PHE  97  -9.236   1.344   4.716
  877    HA   PHE  97           HA       PHE  97 -11.152  -0.594   3.695
  878    HB2  PHE  97           HB2      PHE  97  -9.658  -1.861   2.288
  879    HB3  PHE  97           HB3      PHE  97  -9.732  -0.230   1.658
  880    HD1  PHE  97           HD2      PHE  97  -7.651  -2.749   3.317
  881    HD2  PHE  97           HD1      PHE  97  -7.723   1.272   1.782
  882    HE1  PHE  97           HE2      PHE  97  -5.172  -2.666   3.438
  883    HE2  PHE  97           HE1      PHE  97  -5.243   1.346   1.882
  884    HZ   PHE  97           HZ       PHE  97  -3.967  -0.655   2.679
  885    H    SER  98           H        SER  98 -10.791  -2.707   4.650
  886    HA   SER  98           HA       SER  98  -9.045  -2.746   7.062
  887    HB2  SER  98           HB2      SER  98 -11.285  -3.527   7.423
  888    HB3  SER  98           HB3      SER  98 -11.157  -4.668   6.072
  889    HG   SER  98           HG       SER  98 -10.772  -5.584   8.190
  890    H    VAL  99           H        VAL  99  -7.123  -3.829   7.141
  891    HA   VAL  99           HA       VAL  99  -5.834  -4.720   4.752
  892    HB   VAL  99           HB       VAL  99  -5.097  -5.298   7.595
  893   HG11  VAL  99          HG11      VAL  99  -3.783  -6.739   6.153
  894   HG12  VAL  99          HG12      VAL  99  -3.403  -5.371   5.075
  895   HG13  VAL  99          HG13      VAL  99  -2.759  -5.429   6.732
  896   HG21  VAL  99          HG21      VAL  99  -3.599  -3.354   7.432
  897   HG22  VAL  99          HG22      VAL  99  -4.160  -3.039   5.775
  898   HG23  VAL  99          HG23      VAL  99  -5.259  -2.842   7.152
  899    H    LYS 100           H        LYS 100  -7.889  -6.427   6.978
  900    HA   LYS 100           HA       LYS 100  -7.192  -9.163   6.378
  901    HB2  LYS 100           HB2      LYS 100  -9.792  -7.863   7.298
  902    HB3  LYS 100           HB3      LYS 100  -9.505  -9.603   7.270
  903    HG2  LYS 100           HG2      LYS 100  -7.770  -9.455   8.929
  904    HG3  LYS 100           HG3      LYS 100  -7.776  -7.680   8.891
  905    HD2  LYS 100           HD2      LYS 100 -10.076  -7.625   9.738
  906    HD3  LYS 100           HD3      LYS 100 -10.142  -9.399   9.760
  907    HE2  LYS 100           HE2      LYS 100  -8.419  -9.528  11.449
  908    HE3  LYS 100           HE3      LYS 100  -8.046  -7.808  11.296
  909    HZ1  LYS 100           HZ1      LYS 100 -10.217  -7.281  12.186
  910    HZ2  LYS 100           HZ2      LYS 100  -9.448  -8.275  13.234
  911    HZ3  LYS 100           HZ3      LYS 100 -10.640  -8.866  12.285
  912    H    GLU 101           H        GLU 101  -8.916  -6.802   4.502
  913    HA   GLU 101           HA       GLU 101 -10.455  -8.704   2.901
  914    HB2  GLU 101           HB2      GLU 101  -9.980  -5.721   2.570
  915    HB3  GLU 101           HB3      GLU 101 -11.134  -6.687   1.644
  916    HG2  GLU 101           HG2      GLU 101 -12.441  -7.212   3.592
  917    HG3  GLU 101           HG3      GLU 101 -11.276  -6.450   4.669
  918    H    HIS 102           H        HIS 102  -7.948  -9.647   2.736
  919    HA   HIS 102           HA       HIS 102  -6.068  -8.559   1.080
  920    HB2  HIS 102           HB2      HIS 102  -6.706 -11.530   1.186
  921    HB3  HIS 102           HB3      HIS 102  -5.159 -10.800   0.780
  922    HD1  HIS 102           HD1      HIS 102  -4.692  -8.876   3.237
  923    HD2  HIS 102           HD2      HIS 102  -6.211 -12.792   3.392
  924    HE1  HIS 102           HE1      HIS 102  -3.996  -9.814   5.482
  925    H    ARG 103           H        ARG 103  -8.672 -10.711  -0.083
  926    HA   ARG 103           HA       ARG 103  -7.940 -10.849  -2.817
  927    HB2  ARG 103           HB2      ARG 103  -9.624 -12.216  -1.495
  928    HB3  ARG 103           HB3      ARG 103 -10.770 -10.885  -1.689
  929    HG2  ARG 103           HG2      ARG 103 -10.539 -11.131  -4.192
  930    HG3  ARG 103           HG3      ARG 103  -9.473 -12.518  -3.924
  931    HD2  ARG 103           HD2      ARG 103 -12.395 -12.273  -3.083
  932    HD3  ARG 103           HD3      ARG 103 -11.759 -13.233  -4.429
  933    HE   ARG 103           HE       ARG 103 -10.549 -13.961  -1.873
  934   HH11  ARG 103          HH11      ARG 103 -13.414 -14.608  -3.799
  935   HH12  ARG 103          HH12      ARG 103 -13.700 -16.124  -2.987
  936   HH21  ARG 103          HH21      ARG 103 -10.967 -15.788  -0.898
  937   HH22  ARG 103          HH22      ARG 103 -12.328 -16.797  -1.357
  938    H    LYS 104           H        LYS 104  -9.907  -8.419  -1.155
  939    HA   LYS 104           HA       LYS 104 -10.540  -6.870  -3.554
  940    HB2  LYS 104           HB2      LYS 104 -11.970  -6.954  -1.512
  941    HB3  LYS 104           HB3      LYS 104 -10.715  -6.090  -0.613
  942    HG2  LYS 104           HG2      LYS 104 -10.951  -4.137  -2.094
  943    HG3  LYS 104           HG3      LYS 104 -12.120  -5.019  -3.098
  944    HD2  LYS 104           HD2      LYS 104 -13.608  -5.253  -1.091
  945    HD3  LYS 104           HD3      LYS 104 -12.491  -4.251  -0.161
  946    HE2  LYS 104           HE2      LYS 104 -13.947  -3.386  -2.706
  947    HE3  LYS 104           HE3      LYS 104 -14.514  -3.058  -1.068
  948    HZ1  LYS 104           HZ1      LYS 104 -11.968  -2.041  -2.218
  949    HZ2  LYS 104           HZ2      LYS 104 -12.475  -1.782  -0.678
  950    HZ3  LYS 104           HZ3      LYS 104 -13.316  -1.166  -1.934
  951    H    ILE 105           H        ILE 105  -8.128  -6.578  -0.903
  952    HA   ILE 105           HA       ILE 105  -6.936  -4.161  -1.840
  953    HB   ILE 105           HB       ILE 105  -5.718  -6.432  -0.242
  954   HG12  ILE 105          HG12      ILE 105  -6.620  -3.650   0.646
  955   HG13  ILE 105          HG13      ILE 105  -7.672  -5.056   0.724
  956   HG21  ILE 105          HG21      ILE 105  -3.881  -5.218  -1.320
  957   HG22  ILE 105          HG22      ILE 105  -4.617  -3.658  -0.894
  958   HG23  ILE 105          HG23      ILE 105  -3.945  -4.723   0.362
  959   HD11  ILE 105          HD11      ILE 105  -6.744  -4.747   2.885
  960   HD12  ILE 105          HD12      ILE 105  -6.029  -6.206   2.223
  961   HD13  ILE 105          HD13      ILE 105  -5.089  -4.686   2.291
  962    H    TYR 106           H        TYR 106  -6.080  -7.576  -2.733
  963    HA   TYR 106           HA       TYR 106  -3.992  -6.830  -4.510
  964    HB2  TYR 106           HB2      TYR 106  -5.918  -9.172  -4.826
  965    HB3  TYR 106           HB3      TYR 106  -4.345  -9.016  -5.590
  966    HD1  TYR 106           HD2      TYR 106  -2.513  -8.237  -3.427
  967    HD2  TYR 106           HD1      TYR 106  -5.823 -11.010  -3.436
  968    HE1  TYR 106           HE2      TYR 106  -1.472  -9.497  -1.556
  969    HE2  TYR 106           HE1      TYR 106  -4.783 -12.255  -1.546
  970    HH   TYR 106           HH       TYR 106  -1.559 -11.438  -0.325
  971    H    THR 107           H        THR 107  -7.513  -7.297  -5.271
  972    HA   THR 107           HA       THR 107  -7.096  -6.640  -8.017
  973    HB   THR 107           HB       THR 107  -9.054  -7.930  -6.988
  974    HG1  THR 107           HG1      THR 107 -10.183  -7.476  -8.864
  975   HG21  THR 107          HG21      THR 107 -11.140  -6.676  -6.839
  976   HG22  THR 107          HG22      THR 107 -10.294  -5.144  -7.160
  977   HG23  THR 107          HG23      THR 107  -9.994  -6.034  -5.655
  978    H    MET 108           H        MET 108  -7.808  -4.499  -5.303
  979    HA   MET 108           HA       MET 108  -8.025  -2.113  -6.949
  980    HB2  MET 108           HB2      MET 108  -7.224  -2.432  -4.027
  981    HB3  MET 108           HB3      MET 108  -7.545  -0.903  -4.869
  982    HG2  MET 108           HG2      MET 108  -9.848  -1.662  -5.373
  983    HG3  MET 108           HG3      MET 108  -9.586  -3.084  -4.378
  984    HE1  MET 108           HE1      MET 108  -9.087  -1.377  -0.778
  985    HE2  MET 108           HE2      MET 108  -8.939  -2.890  -1.701
  986    HE3  MET 108           HE3      MET 108  -7.751  -1.583  -1.924
  987    H    MET 109           H        MET 109  -5.239  -3.652  -5.222
  988    HA   MET 109           HA       MET 109  -3.436  -1.554  -6.003
  989    HB2  MET 109           HB2      MET 109  -1.893  -2.554  -4.692
  990    HB3  MET 109           HB3      MET 109  -3.350  -3.125  -3.959
  991    HG2  MET 109           HG2      MET 109  -2.241  -5.068  -3.950
  992    HG3  MET 109           HG3      MET 109  -2.894  -5.230  -5.567
  993    HE1  MET 109           HE1      MET 109   0.015  -4.235  -3.306
  994    HE2  MET 109           HE2      MET 109   1.454  -4.222  -4.345
  995    HE3  MET 109           HE3      MET 109   0.291  -2.878  -4.406
  996    H    ALA 110           H        ALA 110  -4.430  -4.487  -7.649
  997    HA   ALA 110           HA       ALA 110  -2.371  -4.611  -9.613
  998    HB1  ALA 110           HB1      ALA 110  -5.355  -5.218  -9.808
  999    HB2  ALA 110           HB2      ALA 110  -4.106  -5.767 -10.949
 1000    HB3  ALA 110           HB3      ALA 110  -4.086  -6.341  -9.270
 1001    H    SER 111           H        SER 111  -5.015  -2.246  -9.246
 1002    HA   SER 111           HA       SER 111  -4.695  -1.141 -11.924
 1003    HB2  SER 111           HB2      SER 111  -6.214   0.528 -11.307
 1004    HB3  SER 111           HB3      SER 111  -6.794  -0.949 -10.532
 1005    HG   SER 111           HG       SER 111  -5.919  -0.197  -8.568
 1006    H    MET 112           H        MET 112  -2.636  -1.038  -9.268
 1007    HA   MET 112           HA       MET 112  -1.358   1.515 -10.064
 1008    HB2  MET 112           HB2      MET 112  -0.406  -0.418  -7.940
 1009    HB3  MET 112           HB3      MET 112   0.013   1.286  -8.163
 1010    HG2  MET 112           HG2      MET 112  -2.278   1.953  -7.564
 1011    HG3  MET 112           HG3      MET 112  -2.728   0.258  -7.359
 1012    HE1  MET 112           HE1      MET 112  -2.924   1.466  -3.747
 1013    HE2  MET 112           HE2      MET 112  -3.567   1.995  -5.325
 1014    HE3  MET 112           HE3      MET 112  -3.586   0.280  -4.896
 1015    H    THR 113           H        THR 113  -1.337  -1.657 -11.068
 1016    HA   THR 113           HA       THR 113   1.289  -1.407 -12.375
 1017    HB   THR 113           HB       THR 113   2.079  -3.467 -11.836
 1018    HG1  THR 113           HG1      THR 113   0.325  -4.736 -12.210
 1019   HG21  THR 113          HG21      THR 113   1.974  -3.800  -9.409
 1020   HG22  THR 113          HG22      THR 113   0.583  -2.722  -9.279
 1021   HG23  THR 113          HG23      THR 113   2.167  -2.079  -9.787
 1022    H    GLY 114           H        GLY 114  -1.595  -1.115 -13.246
 1023    HA2  GLY 114           HA2      GLY 114  -1.454  -2.225 -15.893
 1024    HA3  GLY 114           HA3      GLY 114  -2.462  -3.229 -14.845
 1025    H    GLY 115           H        GLY 115  -4.287  -2.715 -16.161
 1026    HA2  GLY 115           HA2      GLY 115  -5.222  -0.106 -16.792
 1027    HA3  GLY 115           HA3      GLY 115  -6.191  -1.575 -16.794
 1028    H    GLN 116           H        GLN 116  -6.999   1.097 -16.033
 1029    HA   GLN 116           HA       GLN 116  -7.040   1.486 -13.205
 1030    HB2  GLN 116           HB2      GLN 116  -8.832   2.621 -15.385
 1031    HB3  GLN 116           HB3      GLN 116  -8.801   3.174 -13.705
 1032    HG2  GLN 116           HG2      GLN 116  -6.401   3.783 -13.940
 1033    HG3  GLN 116           HG3      GLN 116  -6.435   3.274 -15.629
 1034   HE21  GLN 116          HE21      GLN 116  -5.600   5.700 -15.611
 1035   HE22  GLN 116          HE22      GLN 116  -6.873   6.884 -15.880
 1036    H    GLN 117           H        GLN 117  -8.594   1.198 -11.637
 1037    HA   GLN 117           HA       GLN 117 -10.514  -0.968 -11.935
 1038    HB2  GLN 117           HB2      GLN 117  -9.248  -0.649  -9.883
 1039    HB3  GLN 117           HB3      GLN 117  -9.871   0.987  -9.701
 1040    HG2  GLN 117           HG2      GLN 117 -10.945  -0.462  -8.117
 1041    HG3  GLN 117           HG3      GLN 117 -12.143   0.100  -9.265
 1042   HE21  GLN 117          HE21      GLN 117 -12.825  -1.499 -11.003
 1043   HE22  GLN 117          HE22      GLN 117 -12.661  -3.223 -10.648
 1044    H    MET 118           H        MET 118 -10.693   2.526 -12.213
 1045    HA   MET 118           HA       MET 118 -13.505   2.870 -11.778
 1046    HB2  MET 118           HB2      MET 118 -11.859   4.661 -11.573
 1047    HB3  MET 118           HB3      MET 118 -11.480   4.559 -13.296
 1048    HG2  MET 118           HG2      MET 118 -13.748   5.266 -13.879
 1049    HG3  MET 118           HG3      MET 118 -14.217   5.282 -12.178
 1050    HE1  MET 118           HE1      MET 118 -11.846   6.761 -10.634
 1051    HE2  MET 118           HE2      MET 118 -12.434   8.429 -10.751
 1052    HE3  MET 118           HE3      MET 118 -13.583   7.107 -10.455
 1053    H    GLY 119           H        GLY 119 -15.236   2.939 -13.145
 1054    HA2  GLY 119           HA2      GLY 119 -15.120   2.843 -16.037
 1055    HA3  GLY 119           HA3      GLY 119 -15.528   1.270 -15.346
  Start of MODEL   16
    1    H1   MET -11           H1       MET -11   3.188  -2.058  20.552
    2    H2   MET -11           H2       MET -11   4.401  -3.072  20.976
    3    H3   MET -11           H3       MET -11   2.874  -3.642  20.817
    4    HA   MET -11           HA       MET -11   4.524  -2.565  18.626
    5    HB2  MET -11           HB2      MET -11   5.338  -4.758  19.446
    6    HB3  MET -11           HB3      MET -11   3.733  -5.445  19.205
    7    HG2  MET -11           HG2      MET -11   5.108  -6.080  17.349
    8    HG3  MET -11           HG3      MET -11   3.892  -4.957  16.768
    9    HE1  MET -11           HE1      MET -11   8.452  -4.152  17.123
   10    HE2  MET -11           HE2      MET -11   7.475  -4.414  18.581
   11    HE3  MET -11           HE3      MET -11   7.649  -5.716  17.380
   12    HA   PRO -10           HA       PRO -10   0.462  -1.804  16.906
   13    HB2  PRO -10           HB2      PRO -10   2.042  -1.595  14.338
   14    HB3  PRO -10           HB3      PRO -10   0.769  -0.507  14.970
   15    HG2  PRO -10           HG2      PRO -10   3.367   0.192  15.197
   16    HG3  PRO -10           HG3      PRO -10   2.273   0.409  16.603
   17    HD2  PRO -10           HD2      PRO -10   4.203  -1.869  16.059
   18    HD3  PRO -10           HD3      PRO -10   3.980  -0.915  17.559
   19    H    ARG  -9           H        ARG  -9  -1.094  -3.110  16.134
   20    HA   ARG  -9           HA       ARG  -9  -0.549  -5.836  15.239
   21    HB2  ARG  -9           HB2      ARG  -9  -3.106  -4.209  15.338
   22    HB3  ARG  -9           HB3      ARG  -9  -3.047  -5.934  15.022
   23    HG2  ARG  -9           HG2      ARG  -9  -2.408  -6.476  17.216
   24    HG3  ARG  -9           HG3      ARG  -9  -1.853  -4.847  17.600
   25    HD2  ARG  -9           HD2      ARG  -9  -4.759  -5.535  17.040
   26    HD3  ARG  -9           HD3      ARG  -9  -4.044  -5.487  18.660
   27    HE   ARG  -9           HE       ARG  -9  -3.348  -3.033  17.726
   28   HH11  ARG  -9          HH11      ARG  -9  -6.551  -4.510  17.589
   29   HH12  ARG  -9          HH12      ARG  -9  -7.315  -2.927  17.606
   30   HH21  ARG  -9          HH21      ARG  -9  -4.458  -1.148  17.988
   31   HH22  ARG  -9          HH22      ARG  -9  -6.197  -1.143  17.824
   32    H    PHE  -8           H        PHE  -8  -0.909  -2.851  13.545
   33    HA   PHE  -8           HA       PHE  -8  -2.014  -3.643  11.125
   34    HB2  PHE  -8           HB2      PHE  -8  -1.803  -1.349  11.432
   35    HB3  PHE  -8           HB3      PHE  -8  -0.092  -1.453  11.811
   36    HD1  PHE  -8           HD2      PHE  -8  -2.530  -1.895   9.005
   37    HD2  PHE  -8           HD1      PHE  -8   1.588  -1.262  10.124
   38    HE1  PHE  -8           HE2      PHE  -8  -1.900  -1.702   6.608
   39    HE2  PHE  -8           HE1      PHE  -8   2.208  -1.083   7.731
   40    HZ   PHE  -8           HZ       PHE  -8   0.467  -1.334   5.969
   41    H    TRP  -7           H        TRP  -7   1.507  -3.660  11.758
   42    HA   TRP  -7           HA       TRP  -7   2.092  -4.637   9.132
   43    HB2  TRP  -7           HB2      TRP  -7   3.647  -3.303  10.388
   44    HB3  TRP  -7           HB3      TRP  -7   3.792  -4.546  11.629
   45    HD1  TRP  -7           HD1      TRP  -7   5.327  -6.619  11.132
   46    HE1  TRP  -7           HE1      TRP  -7   6.994  -7.248   9.291
   47    HE3  TRP  -7           HE3      TRP  -7   4.063  -3.074   7.654
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.633  -6.395   6.614
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.179  -3.071   5.427
   50    HH2  TRP  -7           HH2      TRP  -7   6.942  -4.703   4.898
   51    H    GLU  -6           H        GLU  -6   1.339  -6.384  12.107
   52    HA   GLU  -6           HA       GLU  -6   2.207  -8.991  11.209
   53    HB2  GLU  -6           HB2      GLU  -6  -0.069  -8.247  13.099
   54    HB3  GLU  -6           HB3      GLU  -6   0.611  -9.864  12.857
   55    HG2  GLU  -6           HG2      GLU  -6   2.849  -8.972  13.588
   56    HG3  GLU  -6           HG3      GLU  -6   2.070  -7.437  13.986
   57    H    TYR  -5           H        TYR  -5  -0.937  -7.246  10.872
   58    HA   TYR  -5           HA       TYR  -5  -2.013  -9.239   9.098
   59    HB2  TYR  -5           HB2      TYR  -5  -2.912  -6.507   9.887
   60    HB3  TYR  -5           HB3      TYR  -5  -3.557  -7.224   8.421
   61    HD1  TYR  -5           HD2      TYR  -5  -4.299  -9.752   8.580
   62    HD2  TYR  -5           HD1      TYR  -5  -4.128  -6.991  11.898
   63    HE1  TYR  -5           HE2      TYR  -5  -5.935 -11.128   9.801
   64    HE2  TYR  -5           HE1      TYR  -5  -5.860  -8.331  13.087
   65    HH   TYR  -5           HH       TYR  -5  -7.146 -10.250  13.059
   66    H    TRP  -4           H        TRP  -4  -0.159  -6.322   8.392
   67    HA   TRP  -4           HA       TRP  -4  -0.508  -6.464   5.550
   68    HB2  TRP  -4           HB2      TRP  -4   0.341  -4.527   6.985
   69    HB3  TRP  -4           HB3      TRP  -4   1.901  -5.359   7.029
   70    HD1  TRP  -4           HD1      TRP  -4   3.307  -5.421   4.798
   71    HE1  TRP  -4           HE1      TRP  -4   3.093  -4.263   2.505
   72    HE3  TRP  -4           HE3      TRP  -4  -1.479  -3.663   5.195
   73    HZ2  TRP  -4           HZ2      TRP  -4   1.065  -2.943   0.977
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.566  -2.547   3.260
   75    HH2  TRP  -4           HH2      TRP  -4  -1.310  -2.169   1.153
   76    H    LEU  -3           H        LEU  -3   1.966  -7.931   7.707
   77    HA   LEU  -3           HA       LEU  -3   3.432  -9.292   5.694
   78    HB2  LEU  -3           HB2      LEU  -3   4.087  -8.911   8.103
   79    HB3  LEU  -3           HB3      LEU  -3   2.869 -10.089   8.580
   80    HG   LEU  -3           HG       LEU  -3   4.123 -11.816   7.169
   81   HD11  LEU  -3          HD11      LEU  -3   5.399 -10.272   5.731
   82   HD12  LEU  -3          HD12      LEU  -3   6.515 -11.255   6.690
   83   HD13  LEU  -3          HD13      LEU  -3   6.188  -9.567   7.159
   84   HD21  LEU  -3          HD21      LEU  -3   5.885 -12.135   8.866
   85   HD22  LEU  -3          HD22      LEU  -3   4.347 -11.692   9.624
   86   HD23  LEU  -3          HD23      LEU  -3   5.631 -10.475   9.457
   87    H    ARG  -2           H        ARG  -2   0.577 -10.339   7.619
   88    HA   ARG  -2           HA       ARG  -2   0.181 -12.899   6.455
   89    HB2  ARG  -2           HB2      ARG  -2  -0.903 -11.667   8.498
   90    HB3  ARG  -2           HB3      ARG  -2  -2.123 -11.141   7.347
   91    HG2  ARG  -2           HG2      ARG  -2  -1.348 -14.067   7.771
   92    HG3  ARG  -2           HG3      ARG  -2  -2.526 -13.233   8.785
   93    HD2  ARG  -2           HD2      ARG  -2  -3.916 -12.746   6.813
   94    HD3  ARG  -2           HD3      ARG  -2  -2.800 -13.676   5.790
   95    HE   ARG  -2           HE       ARG  -2  -3.442 -15.433   7.815
   96   HH11  ARG  -2          HH11      ARG  -2  -5.380 -13.702   5.459
   97   HH12  ARG  -2          HH12      ARG  -2  -6.680 -14.868   5.550
   98   HH21  ARG  -2          HH21      ARG  -2  -5.122 -16.884   7.858
   99   HH22  ARG  -2          HH22      ARG  -2  -6.520 -16.628   6.856
  100    H    LEU  -1           H        LEU  -1  -0.878  -9.727   5.276
  101    HA   LEU  -1           HA       LEU  -1  -2.450 -10.529   3.105
  102    HB2  LEU  -1           HB2      LEU  -1  -1.791  -8.166   4.182
  103    HB3  LEU  -1           HB3      LEU  -1  -0.580  -8.165   2.924
  104    HG   LEU  -1           HG       LEU  -1  -3.559  -7.872   2.763
  105   HD11  LEU  -1          HD11      LEU  -1  -1.953  -5.961   2.698
  106   HD12  LEU  -1          HD12      LEU  -1  -2.896  -6.117   1.198
  107   HD13  LEU  -1          HD13      LEU  -1  -1.216  -6.663   1.238
  108   HD21  LEU  -1          HD21      LEU  -1  -3.580  -8.207   0.340
  109   HD22  LEU  -1          HD22      LEU  -1  -3.220  -9.722   1.172
  110   HD23  LEU  -1          HD23      LEU  -1  -1.908  -8.808   0.388
  111    H    MET   0           H        MET   0   1.071  -9.666   2.921
  112    HA   MET   0           HA       MET   0   1.167 -10.813   0.233
  113    HB2  MET   0           HB2      MET   0   3.406  -9.981   0.058
  114    HB3  MET   0           HB3      MET   0   2.228  -8.762   0.519
  115    HG2  MET   0           HG2      MET   0   3.016  -8.938   2.890
  116    HG3  MET   0           HG3      MET   0   4.297 -10.031   2.330
  117    HE1  MET   0           HE1      MET   0   6.190  -8.380   3.284
  118    HE2  MET   0           HE2      MET   0   6.170  -6.623   2.996
  119    HE3  MET   0           HE3      MET   0   4.854  -7.385   3.925
  120    H    GLU   1           H        GLU   1   1.836 -12.170   3.347
  121    HA   GLU   1           HA       GLU   1   3.451 -14.379   2.482
  122    HB2  GLU   1           HB2      GLU   1   3.068 -13.849   4.820
  123    HB3  GLU   1           HB3      GLU   1   1.327 -14.146   4.651
  124    HG2  GLU   1           HG2      GLU   1   1.741 -16.523   4.218
  125    HG3  GLU   1           HG3      GLU   1   3.488 -16.248   4.248
  126    H    GLY   2           H        GLY   2  -0.037 -13.740   2.193
  127    HA2  GLY   2           HA2      GLY   2  -0.647 -16.298   0.886
  128    HA3  GLY   2           HA3      GLY   2  -1.720 -14.912   1.093
  129    H    GLY   3           H        GLY   3   1.082 -13.667  -0.253
  130    HA2  GLY   3           HA2      GLY   3  -0.284 -13.128  -2.751
  131    HA3  GLY   3           HA3      GLY   3   1.279 -12.508  -2.239
  132    H    GLY   4           H        GLY   4   0.168 -13.754  -4.777
  133    HA2  GLY   4           HA2      GLY   4   2.568 -14.886  -5.792
  134    HA3  GLY   4           HA3      GLY   4   1.499 -16.218  -5.339
  135    H    GLU   5           H        GLU   5   0.509 -13.066  -6.702
  136    HA   GLU   5           HA       GLU   5  -0.924 -12.516  -8.359
  137    HB2  GLU   5           HB2      GLU   5   0.607 -14.589  -9.960
  138    HB3  GLU   5           HB3      GLU   5  -0.435 -13.318 -10.614
  139    HG2  GLU   5           HG2      GLU   5   1.004 -11.587  -9.576
  140    HG3  GLU   5           HG3      GLU   5   2.103 -12.849  -9.006
  141    H    ASN   6           H        ASN   6  -1.648 -14.982  -6.662
  142    HA   ASN   6           HA       ASN   6  -3.227 -16.710  -8.247
  143    HB2  ASN   6           HB2      ASN   6  -4.048 -17.554  -6.014
  144    HB3  ASN   6           HB3      ASN   6  -2.310 -17.540  -6.267
  145   HD21  ASN   6          HD21      ASN   6  -1.660 -17.444  -4.121
  146   HD22  ASN   6          HD22      ASN   6  -2.010 -16.062  -3.087
  147    H    LEU   7           H        LEU   7  -4.133 -13.565  -7.281
  148    HA   LEU   7           HA       LEU   7  -7.001 -14.080  -7.452
  149    HB2  LEU   7           HB2      LEU   7  -5.614 -12.084  -6.232
  150    HB3  LEU   7           HB3      LEU   7  -5.936 -11.303  -7.774
  151    HG   LEU   7           HG       LEU   7  -8.434 -12.222  -7.328
  152   HD11  LEU   7          HD11      LEU   7  -7.747 -13.482  -5.271
  153   HD12  LEU   7          HD12      LEU   7  -8.987 -12.260  -4.943
  154   HD13  LEU   7          HD13      LEU   7  -7.288 -11.952  -4.511
  155   HD21  LEU   7          HD21      LEU   7  -9.014 -10.133  -6.203
  156   HD22  LEU   7          HD22      LEU   7  -7.873  -9.849  -7.524
  157   HD23  LEU   7          HD23      LEU   7  -7.303  -9.832  -5.842
  158    H    TYR   8           H        TYR   8  -5.049 -14.699  -9.782
  159    HA   TYR   8           HA       TYR   8  -4.938 -14.674 -11.922
  160    HB2  TYR   8           HB2      TYR   8  -6.832 -15.912 -11.871
  161    HB3  TYR   8           HB3      TYR   8  -7.871 -14.521 -11.647
  162    HD1  TYR   8           HD2      TYR   8  -5.425 -15.835 -14.131
  163    HD2  TYR   8           HD1      TYR   8  -9.149 -13.784 -13.459
  164    HE1  TYR   8           HE2      TYR   8  -5.834 -15.778 -16.602
  165    HE2  TYR   8           HE1      TYR   8  -9.565 -13.720 -15.923
  166    HH   TYR   8           HH       TYR   8  -7.294 -15.179 -18.276
  167    H    PHE   9           H        PHE   9  -4.213 -12.292 -10.753
  168    HA   PHE   9           HA       PHE   9  -3.447 -10.271 -11.284
  169    HB2  PHE   9           HB2      PHE   9  -2.016 -10.322 -13.389
  170    HB3  PHE   9           HB3      PHE   9  -1.746 -11.440 -12.080
  171    HD1  PHE   9           HD1      PHE   9  -3.073 -11.150 -15.528
  172    HD2  PHE   9           HD2      PHE   9  -2.037 -13.839 -12.320
  173    HE1  PHE   9           HE1      PHE   9  -3.259 -13.083 -17.083
  174    HE2  PHE   9           HE2      PHE   9  -2.229 -15.767 -13.873
  175    HZ   PHE   9           HZ       PHE   9  -2.843 -15.391 -16.256
  176    H    GLN  10           H        GLN  10  -6.243 -10.171 -11.863
  177    HA   GLN  10           HA       GLN  10  -6.312  -7.868 -13.763
  178    HB2  GLN  10           HB2      GLN  10  -8.077 -10.341 -13.735
  179    HB3  GLN  10           HB3      GLN  10  -8.518  -8.852 -14.575
  180    HG2  GLN  10           HG2      GLN  10  -6.575  -9.000 -16.037
  181    HG3  GLN  10           HG3      GLN  10  -5.951 -10.384 -15.147
  182   HE21  GLN  10          HE21      GLN  10  -5.936 -11.735 -17.020
  183   HE22  GLN  10          HE22      GLN  10  -7.446 -12.373 -17.655
  184    H    GLY  11           H        GLY  11  -8.308  -6.619 -13.663
  185    HA2  GLY  11           HA2      GLY  11  -8.821  -5.676 -11.005
  186    HA3  GLY  11           HA3      GLY  11  -9.533  -5.077 -12.499
  187    H    MET  12           H        MET  12  -9.857  -8.391 -11.226
  188    HA   MET  12           HA       MET  12 -12.771  -7.945 -10.710
  189    HB2  MET  12           HB2      MET  12 -13.151 -10.293 -11.130
  190    HB3  MET  12           HB3      MET  12 -12.456  -9.504 -12.544
  191    HG2  MET  12           HG2      MET  12 -10.237 -10.488 -12.001
  192    HG3  MET  12           HG3      MET  12 -10.922 -11.233 -10.559
  193    HE1  MET  12           HE1      MET  12 -10.526 -11.349 -14.406
  194    HE2  MET  12           HE2      MET  12 -11.705 -12.576 -14.915
  195    HE3  MET  12           HE3      MET  12 -12.268 -10.991 -14.345
  196    H    SER  13           H        SER  13 -13.547  -8.360  -8.700
  197    HA   SER  13           HA       SER  13 -11.761  -9.103  -6.497
  198    HB2  SER  13           HB2      SER  13 -14.789  -8.818  -6.642
  199    HB3  SER  13           HB3      SER  13 -13.863  -9.144  -5.167
  200    HG   SER  13           HG       SER  13 -14.338  -6.890  -5.495
  201    H    VAL  14           H        VAL  14 -11.233 -11.137  -5.997
  202    HA   VAL  14           HA       VAL  14 -11.112 -13.373  -5.882
  203    HB   VAL  14           HB       VAL  14 -14.048 -13.602  -6.575
  204   HG11  VAL  14          HG11      VAL  14 -12.264 -15.531  -5.050
  205   HG12  VAL  14          HG12      VAL  14 -13.991 -15.717  -5.399
  206   HG13  VAL  14          HG13      VAL  14 -12.841 -15.764  -6.727
  207   HG21  VAL  14          HG21      VAL  14 -12.712 -13.363  -3.854
  208   HG22  VAL  14          HG22      VAL  14 -13.818 -12.176  -4.591
  209   HG23  VAL  14          HG23      VAL  14 -14.422 -13.765  -4.135
  210    HA   PRO  15           HA       PRO  15 -10.310 -14.467 -10.196
  211    HB2  PRO  15           HB2      PRO  15  -9.053 -16.863  -9.915
  212    HB3  PRO  15           HB3      PRO  15  -8.326 -15.341  -9.346
  213    HG2  PRO  15           HG2      PRO  15  -9.969 -17.295  -7.697
  214    HG3  PRO  15           HG3      PRO  15  -8.312 -16.702  -7.349
  215    HD2  PRO  15           HD2      PRO  15 -10.429 -15.498  -6.230
  216    HD3  PRO  15           HD3      PRO  15  -9.099 -14.515  -6.874
  217    H    THR  16           H        THR  16 -12.849 -14.528  -9.876
  218    HA   THR  16           HA       THR  16 -14.832 -15.279 -10.235
  219    HB   THR  16           HB       THR  16 -13.679 -15.655 -12.468
  220    HG1  THR  16           HG1      THR  16 -15.694 -16.138 -13.281
  221   HG21  THR  16          HG21      THR  16 -14.665 -18.504 -11.954
  222   HG22  THR  16          HG22      THR  16 -12.961 -18.032 -12.145
  223   HG23  THR  16          HG23      THR  16 -14.083 -17.834 -13.490
  224    H    ASP  17           H        ASP  17 -13.025 -18.230  -9.533
  225    HA   ASP  17           HA       ASP  17 -15.447 -19.491  -8.412
  226    HB2  ASP  17           HB2      ASP  17 -14.223 -20.906  -9.804
  227    HB3  ASP  17           HB3      ASP  17 -12.690 -20.474  -9.053
  228    H    GLY  18           H        GLY  18 -12.146 -19.003  -7.115
  229    HA2  GLY  18           HA2      GLY  18 -12.898 -17.867  -4.619
  230    HA3  GLY  18           HA3      GLY  18 -12.770 -19.614  -4.414
  231    H    ALA  19           H        ALA  19 -11.099 -17.670  -3.127
  232    HA   ALA  19           HA       ALA  19  -8.515 -17.504  -4.408
  233    HB1  ALA  19           HB1      ALA  19  -9.273 -15.891  -2.708
  234    HB2  ALA  19           HB2      ALA  19  -9.315 -17.182  -1.484
  235    HB3  ALA  19           HB3      ALA  19  -7.770 -16.687  -2.206
  236    H    VAL  20           H        VAL  20  -6.642 -18.669  -4.042
  237    HA   VAL  20           HA       VAL  20  -6.981 -21.489  -3.523
  238    HB   VAL  20           HB       VAL  20  -4.791 -21.807  -4.307
  239   HG11  VAL  20          HG11      VAL  20  -5.829 -19.403  -5.875
  240   HG12  VAL  20          HG12      VAL  20  -4.773 -20.703  -6.450
  241   HG13  VAL  20          HG13      VAL  20  -6.452 -21.063  -6.022
  242   HG21  VAL  20          HG21      VAL  20  -3.518 -20.162  -3.022
  243   HG22  VAL  20          HG22      VAL  20  -3.191 -19.954  -4.742
  244   HG23  VAL  20          HG23      VAL  20  -4.285 -18.830  -3.905
  245    H    THR  21           H        THR  21  -6.230 -18.993  -1.369
  246    HA   THR  21           HA       THR  21  -4.395 -20.485   0.279
  247    HB   THR  21           HB       THR  21  -3.958 -18.600   1.511
  248    HG1  THR  21           HG1      THR  21  -5.984 -17.909   2.014
  249   HG21  THR  21          HG21      THR  21  -3.194 -18.422  -0.875
  250   HG22  THR  21          HG22      THR  21  -3.454 -16.860  -0.080
  251   HG23  THR  21          HG23      THR  21  -4.651 -17.464  -1.237
  252    H    THR  22           H        THR  22  -6.987 -21.741   0.140
  253    HA   THR  22           HA       THR  22  -8.568 -21.329   2.364
  254    HB   THR  22           HB       THR  22  -8.377 -24.128   1.379
  255    HG1  THR  22           HG1      THR  22  -9.395 -23.563  -0.528
  256   HG21  THR  22          HG21      THR  22 -10.831 -23.902   1.273
  257   HG22  THR  22          HG22      THR  22 -10.704 -22.186   1.724
  258   HG23  THR  22          HG23      THR  22 -10.232 -23.456   2.876
  259    H    SER  23           H        SER  23  -5.578 -22.994   2.427
  260    HA   SER  23           HA       SER  23  -5.564 -22.995   5.320
  261    HB2  SER  23           HB2      SER  23  -6.715 -25.137   5.025
  262    HB3  SER  23           HB3      SER  23  -5.459 -25.693   3.907
  263    HG   SER  23           HG       SER  23  -5.175 -26.459   6.075
  264    H    GLN  24           H        GLN  24  -3.954 -24.445   2.457
  265    HA   GLN  24           HA       GLN  24  -1.258 -23.895   3.334
  266    HB2  GLN  24           HB2      GLN  24  -0.614 -24.660   1.168
  267    HB3  GLN  24           HB3      GLN  24  -1.949 -25.653   1.703
  268    HG2  GLN  24           HG2      GLN  24  -2.525 -25.285  -0.508
  269    HG3  GLN  24           HG3      GLN  24  -3.476 -24.049   0.294
  270   HE21  GLN  24          HE21      GLN  24  -3.576 -22.606  -1.534
  271   HE22  GLN  24          HE22      GLN  24  -2.112 -21.902  -2.221
  272    H    ILE  25           H        ILE  25   0.229 -22.420   2.260
  273    HA   ILE  25           HA       ILE  25  -0.866 -20.188   0.735
  274    HB   ILE  25           HB       ILE  25   0.814 -18.651   2.144
  275   HG12  ILE  25          HG12      ILE  25   0.476 -18.895   4.563
  276   HG13  ILE  25          HG13      ILE  25  -0.291 -20.463   4.344
  277   HG21  ILE  25          HG21      ILE  25  -2.038 -19.205   3.028
  278   HG22  ILE  25          HG22      ILE  25  -1.122 -17.698   3.236
  279   HG23  ILE  25          HG23      ILE  25  -1.573 -18.238   1.613
  280   HD11  ILE  25          HD11      ILE  25   2.588 -19.796   3.559
  281   HD12  ILE  25          HD12      ILE  25   2.098 -20.584   5.073
  282   HD13  ILE  25          HD13      ILE  25   1.835 -21.410   3.534
  283    HA   PRO  26           HA       PRO  26   2.729 -20.710  -1.738
  284    HB2  PRO  26           HB2      PRO  26   3.092 -17.710  -1.625
  285    HB3  PRO  26           HB3      PRO  26   3.143 -18.799  -3.048
  286    HG2  PRO  26           HG2      PRO  26   0.909 -17.358  -2.554
  287    HG3  PRO  26           HG3      PRO  26   0.757 -19.089  -2.991
  288    HD2  PRO  26           HD2      PRO  26   0.682 -17.837  -0.231
  289    HD3  PRO  26           HD3      PRO  26  -0.422 -19.044  -0.957
  290    H    ALA  27           H        ALA  27   4.873 -21.188  -1.401
  291    HA   ALA  27           HA       ALA  27   5.970 -20.880   1.216
  292    HB1  ALA  27           HB1      ALA  27   7.900 -22.076   0.253
  293    HB2  ALA  27           HB2      ALA  27   6.372 -22.821  -0.253
  294    HB3  ALA  27           HB3      ALA  27   7.281 -21.789  -1.386
  295    H    SER  28           H        SER  28   6.597 -19.100  -1.786
  296    HA   SER  28           HA       SER  28   7.691 -16.817  -0.389
  297    HB2  SER  28           HB2      SER  28   9.869 -16.762  -1.546
  298    HB3  SER  28           HB3      SER  28   9.741 -18.140  -0.453
  299    HG   SER  28           HG       SER  28   9.582 -18.123  -3.296
  300    H    GLU  29           H        GLU  29   8.026 -14.974  -1.816
  301    HA   GLU  29           HA       GLU  29   6.246 -14.789  -4.056
  302    HB2  GLU  29           HB2      GLU  29   7.160 -12.599  -4.381
  303    HB3  GLU  29           HB3      GLU  29   6.821 -12.851  -2.685
  304    HG2  GLU  29           HG2      GLU  29   9.631 -13.129  -3.869
  305    HG3  GLU  29           HG3      GLU  29   8.963 -11.597  -3.366
  306    H    GLN  30           H        GLN  30   6.682 -14.472  -6.268
  307    HA   GLN  30           HA       GLN  30   9.049 -15.865  -7.356
  308    HB2  GLN  30           HB2      GLN  30   6.780 -16.313  -8.217
  309    HB3  GLN  30           HB3      GLN  30   6.649 -14.635  -8.767
  310    HG2  GLN  30           HG2      GLN  30   8.484 -14.948 -10.337
  311    HG3  GLN  30           HG3      GLN  30   8.850 -16.541  -9.682
  312   HE21  GLN  30          HE21      GLN  30   8.141 -15.739 -12.477
  313   HE22  GLN  30          HE22      GLN  30   6.775 -16.779 -12.872
  314    H    GLU  31           H        GLU  31  10.588 -14.890  -8.693
  315    HA   GLU  31           HA       GLU  31  11.419 -12.291  -7.863
  316    HB2  GLU  31           HB2      GLU  31  12.505 -14.054 -10.107
  317    HB3  GLU  31           HB3      GLU  31  13.303 -12.675  -9.376
  318    HG2  GLU  31           HG2      GLU  31  14.345 -14.369  -8.283
  319    HG3  GLU  31           HG3      GLU  31  13.108 -13.918  -7.119
  320    H    THR  32           H        THR  32   9.218 -12.990 -10.397
  321    HA   THR  32           HA       THR  32  10.041 -11.270 -12.388
  322    HB   THR  32           HB       THR  32   7.111 -11.565 -11.995
  323    HG1  THR  32           HG1      THR  32   7.224 -13.631 -12.784
  324   HG21  THR  32          HG21      THR  32   7.180 -11.983 -14.428
  325   HG22  THR  32          HG22      THR  32   8.952 -11.843 -14.410
  326   HG23  THR  32          HG23      THR  32   7.933 -10.434 -14.028
  327    H    LEU  33           H        LEU  33   9.987  -9.237 -12.964
  328    HA   LEU  33           HA       LEU  33   9.192  -7.219 -10.971
  329    HB2  LEU  33           HB2      LEU  33  10.597  -6.979 -13.657
  330    HB3  LEU  33           HB3      LEU  33  10.321  -5.650 -12.539
  331    HG   LEU  33           HG       LEU  33  12.033  -8.101 -11.916
  332   HD11  LEU  33          HD11      LEU  33  13.931  -6.545 -12.182
  333   HD12  LEU  33          HD12      LEU  33  12.814  -5.258 -12.692
  334   HD13  LEU  33          HD13      LEU  33  13.013  -6.712 -13.687
  335   HD21  LEU  33          HD21      LEU  33  12.852  -6.750 -10.019
  336   HD22  LEU  33          HD22      LEU  33  11.123  -7.064  -9.865
  337   HD23  LEU  33          HD23      LEU  33  11.685  -5.466 -10.416
  338    H    VAL  34           H        VAL  34   7.815  -5.589 -11.260
  339    HA   VAL  34           HA       VAL  34   6.137  -5.412 -13.694
  340    HB   VAL  34           HB       VAL  34   4.199  -4.961 -12.582
  341   HG11  VAL  34          HG11      VAL  34   4.925  -7.316 -12.284
  342   HG12  VAL  34          HG12      VAL  34   5.505  -6.884 -10.648
  343   HG13  VAL  34          HG13      VAL  34   3.779  -6.744 -11.054
  344   HG21  VAL  34          HG21      VAL  34   4.095  -4.647 -10.025
  345   HG22  VAL  34          HG22      VAL  34   5.821  -4.296 -10.106
  346   HG23  VAL  34          HG23      VAL  34   4.660  -3.283 -10.995
  347    H    ARG  35           H        ARG  35   5.226  -3.325 -14.131
  348    HA   ARG  35           HA       ARG  35   7.009  -1.080 -13.294
  349    HB2  ARG  35           HB2      ARG  35   5.495  -1.495 -15.889
  350    HB3  ARG  35           HB3      ARG  35   6.238   0.039 -15.411
  351    HG2  ARG  35           HG2      ARG  35   8.457  -1.014 -15.300
  352    HG3  ARG  35           HG3      ARG  35   7.756  -2.591 -15.694
  353    HD2  ARG  35           HD2      ARG  35   8.762  -1.683 -17.675
  354    HD3  ARG  35           HD3      ARG  35   7.019  -1.721 -17.896
  355    HE   ARG  35           HE       ARG  35   8.726   0.694 -17.375
  356   HH11  ARG  35          HH11      ARG  35   5.664  -0.517 -18.593
  357   HH12  ARG  35          HH12      ARG  35   5.224   1.035 -19.251
  358   HH21  ARG  35          HH21      ARG  35   8.076   2.633 -18.203
  359   HH22  ARG  35          HH22      ARG  35   6.555   2.762 -19.036
  360    HA   PRO  36           HA       PRO  36   2.978  -0.028 -11.359
  361    HB2  PRO  36           HB2      PRO  36   4.000   1.425  -9.247
  362    HB3  PRO  36           HB3      PRO  36   3.799  -0.354  -9.241
  363    HG2  PRO  36           HG2      PRO  36   6.297   1.249  -9.797
  364    HG3  PRO  36           HG3      PRO  36   6.098  -0.226  -8.788
  365    HD2  PRO  36           HD2      PRO  36   7.044  -0.295 -11.349
  366    HD3  PRO  36           HD3      PRO  36   6.063  -1.624 -10.665
  367    H    LYS  37           H        LYS  37   1.856   1.971 -11.238
  368    HA   LYS  37           HA       LYS  37   2.502   3.998 -13.101
  369    HB2  LYS  37           HB2      LYS  37   0.664   4.073 -10.667
  370    HB3  LYS  37           HB3      LYS  37   0.776   5.387 -11.841
  371    HG2  LYS  37           HG2      LYS  37   0.226   3.670 -13.659
  372    HG3  LYS  37           HG3      LYS  37  -0.205   2.561 -12.361
  373    HD2  LYS  37           HD2      LYS  37  -1.480   5.245 -13.002
  374    HD3  LYS  37           HD3      LYS  37  -2.189   3.642 -13.226
  375    HE2  LYS  37           HE2      LYS  37  -2.116   3.320 -10.716
  376    HE3  LYS  37           HE3      LYS  37  -1.533   4.982 -10.562
  377    HZ1  LYS  37           HZ1      LYS  37  -3.598   5.700 -11.718
  378    HZ2  LYS  37           HZ2      LYS  37  -3.923   4.949 -10.296
  379    HZ3  LYS  37           HZ3      LYS  37  -4.147   4.163 -11.711
  380    HA   PRO  38           HA       PRO  38   5.589   6.513 -11.252
  381    HB2  PRO  38           HB2      PRO  38   4.953   9.071 -12.091
  382    HB3  PRO  38           HB3      PRO  38   5.684   7.808 -13.125
  383    HG2  PRO  38           HG2      PRO  38   2.750   8.543 -12.882
  384    HG3  PRO  38           HG3      PRO  38   3.718   8.316 -14.376
  385    HD2  PRO  38           HD2      PRO  38   2.159   6.331 -13.439
  386    HD3  PRO  38           HD3      PRO  38   3.787   5.958 -14.077
  387    H    LEU  39           H        LEU  39   2.217   7.538 -10.671
  388    HA   LEU  39           HA       LEU  39   2.737   9.161  -8.382
  389    HB2  LEU  39           HB2      LEU  39   0.659   9.121  -9.824
  390    HB3  LEU  39           HB3      LEU  39   0.237   7.574  -9.093
  391    HG   LEU  39           HG       LEU  39   0.172   8.739  -6.839
  392   HD11  LEU  39          HD11      LEU  39   1.565  10.704  -7.317
  393   HD12  LEU  39          HD12      LEU  39  -0.063  11.220  -6.866
  394   HD13  LEU  39          HD13      LEU  39   0.424  11.238  -8.573
  395   HD21  LEU  39          HD21      LEU  39  -1.665   9.868  -8.988
  396   HD22  LEU  39          HD22      LEU  39  -1.987   9.826  -7.238
  397   HD23  LEU  39          HD23      LEU  39  -1.877   8.315  -8.152
  398    H    LEU  40           H        LEU  40   2.171   5.642  -8.685
  399    HA   LEU  40           HA       LEU  40   2.235   5.126  -5.825
  400    HB2  LEU  40           HB2      LEU  40   1.100   3.593  -7.369
  401    HB3  LEU  40           HB3      LEU  40   2.583   3.325  -8.261
  402    HG   LEU  40           HG       LEU  40   3.612   2.177  -6.364
  403   HD11  LEU  40          HD11      LEU  40   2.257   1.625  -4.343
  404   HD12  LEU  40          HD12      LEU  40   0.983   2.727  -4.915
  405   HD13  LEU  40          HD13      LEU  40   2.581   3.356  -4.463
  406   HD21  LEU  40          HD21      LEU  40   0.789   1.143  -6.774
  407   HD22  LEU  40          HD22      LEU  40   2.217   0.204  -6.332
  408   HD23  LEU  40          HD23      LEU  40   2.097   0.926  -7.947
  409    H    LEU  41           H        LEU  41   4.593   4.877  -8.516
  410    HA   LEU  41           HA       LEU  41   6.794   3.960  -7.015
  411    HB2  LEU  41           HB2      LEU  41   6.754   3.989  -9.433
  412    HB3  LEU  41           HB3      LEU  41   6.641   5.748  -9.457
  413    HG   LEU  41           HG       LEU  41   8.882   5.988  -8.563
  414   HD11  LEU  41          HD11      LEU  41  10.382   3.983  -8.388
  415   HD12  LEU  41          HD12      LEU  41   8.954   2.942  -8.586
  416   HD13  LEU  41          HD13      LEU  41   9.135   3.984  -7.152
  417   HD21  LEU  41          HD21      LEU  41  10.129   5.135 -10.496
  418   HD22  LEU  41          HD22      LEU  41   8.562   5.789 -10.998
  419   HD23  LEU  41          HD23      LEU  41   8.793   4.029 -10.890
  420    H    LYS  42           H        LYS  42   5.735   7.367  -7.489
  421    HA   LYS  42           HA       LYS  42   7.750   8.601  -5.910
  422    HB2  LYS  42           HB2      LYS  42   6.132   9.777  -7.367
  423    HB3  LYS  42           HB3      LYS  42   4.818   9.378  -6.257
  424    HG2  LYS  42           HG2      LYS  42   5.861  10.740  -4.479
  425    HG3  LYS  42           HG3      LYS  42   7.275  11.019  -5.504
  426    HD2  LYS  42           HD2      LYS  42   5.919  12.991  -5.552
  427    HD3  LYS  42           HD3      LYS  42   5.817  12.220  -7.143
  428    HE2  LYS  42           HE2      LYS  42   3.622  11.233  -6.522
  429    HE3  LYS  42           HE3      LYS  42   3.746  11.951  -4.910
  430    HZ1  LYS  42           HZ1      LYS  42   3.726  14.153  -5.958
  431    HZ2  LYS  42           HZ2      LYS  42   2.385  13.330  -6.383
  432    HZ3  LYS  42           HZ3      LYS  42   3.611  13.496  -7.449
  433    H    LEU  43           H        LEU  43   4.749   6.992  -4.841
  434    HA   LEU  43           HA       LEU  43   5.057   7.625  -2.031
  435    HB2  LEU  43           HB2      LEU  43   2.928   7.083  -3.015
  436    HB3  LEU  43           HB3      LEU  43   3.438   5.472  -3.453
  437    HG   LEU  43           HG       LEU  43   3.536   6.282  -0.553
  438   HD11  LEU  43          HD11      LEU  43   1.066   5.404  -2.108
  439   HD12  LEU  43          HD12      LEU  43   1.313   6.961  -1.283
  440   HD13  LEU  43          HD13      LEU  43   1.196   5.477  -0.335
  441   HD21  LEU  43          HD21      LEU  43   2.879   3.641  -1.954
  442   HD22  LEU  43          HD22      LEU  43   2.960   3.904  -0.199
  443   HD23  LEU  43          HD23      LEU  43   4.423   4.024  -1.167
  444    H    LEU  44           H        LEU  44   6.253   4.905  -4.059
  445    HA   LEU  44           HA       LEU  44   7.536   3.523  -1.861
  446    HB2  LEU  44           HB2      LEU  44   8.523   3.481  -4.720
  447    HB3  LEU  44           HB3      LEU  44   8.717   2.257  -3.475
  448    HG   LEU  44           HG       LEU  44   6.131   2.939  -4.901
  449   HD11  LEU  44          HD11      LEU  44   6.373   0.741  -5.931
  450   HD12  LEU  44          HD12      LEU  44   7.920   0.498  -5.088
  451   HD13  LEU  44          HD13      LEU  44   7.761   1.771  -6.314
  452   HD21  LEU  44          HD21      LEU  44   6.662   0.659  -2.987
  453   HD22  LEU  44          HD22      LEU  44   5.136   1.035  -3.799
  454   HD23  LEU  44          HD23      LEU  44   5.750   2.123  -2.551
  455    H    LYS  45           H        LYS  45   8.747   6.037  -4.139
  456    HA   LYS  45           HA       LYS  45  11.309   6.356  -2.852
  457    HB2  LYS  45           HB2      LYS  45   9.675   8.015  -4.782
  458    HB3  LYS  45           HB3      LYS  45  11.088   8.715  -4.004
  459    HG2  LYS  45           HG2      LYS  45  12.435   7.755  -5.449
  460    HG3  LYS  45           HG3      LYS  45  11.940   6.162  -4.871
  461    HD2  LYS  45           HD2      LYS  45  10.294   5.910  -6.534
  462    HD3  LYS  45           HD3      LYS  45  10.374   7.623  -7.000
  463    HE2  LYS  45           HE2      LYS  45  11.570   6.349  -8.654
  464    HE3  LYS  45           HE3      LYS  45  12.689   7.345  -7.719
  465    HZ1  LYS  45           HZ1      LYS  45  13.724   5.237  -7.852
  466    HZ2  LYS  45           HZ2      LYS  45  12.370   4.392  -7.575
  467    HZ3  LYS  45           HZ3      LYS  45  13.075   5.203  -6.350
  468    H    SER  46           H        SER  46   8.200   7.620  -1.879
  469    HA   SER  46           HA       SER  46   9.202   9.554   0.002
  470    HB2  SER  46           HB2      SER  46   6.634   7.928   0.104
  471    HB3  SER  46           HB3      SER  46   7.019   9.318   1.122
  472    HG   SER  46           HG       SER  46   6.953   9.355  -1.730
  473    H    VAL  47           H        VAL  47   9.300   6.098   0.078
  474    HA   VAL  47           HA       VAL  47  10.548   6.216   2.788
  475    HB   VAL  47           HB       VAL  47   9.988   3.902   3.170
  476   HG11  VAL  47          HG11      VAL  47   8.454   5.700   3.927
  477   HG12  VAL  47          HG12      VAL  47   7.503   5.492   2.443
  478   HG13  VAL  47          HG13      VAL  47   7.642   4.159   3.613
  479   HG21  VAL  47          HG21      VAL  47   8.273   3.988   0.656
  480   HG22  VAL  47          HG22      VAL  47   9.827   3.139   0.780
  481   HG23  VAL  47          HG23      VAL  47   8.458   2.643   1.794
  482    H    GLY  48           H        GLY  48  11.603   6.565  -0.087
  483    HA2  GLY  48           HA2      GLY  48  13.790   6.580  -0.735
  484    HA3  GLY  48           HA3      GLY  48  14.213   5.574   0.645
  485    H    ALA  49           H        ALA  49  11.817   4.353  -1.692
  486    HA   ALA  49           HA       ALA  49  13.405   2.025  -2.203
  487    HB1  ALA  49           HB1      ALA  49  10.967   3.017  -3.706
  488    HB2  ALA  49           HB2      ALA  49  11.501   1.332  -3.456
  489    HB3  ALA  49           HB3      ALA  49  10.889   2.266  -2.093
  490    H    GLN  50           H        GLN  50  15.082   1.806  -3.583
  491    HA   GLN  50           HA       GLN  50  15.980   4.016  -5.116
  492    HB2  GLN  50           HB2      GLN  50  17.466   2.496  -3.930
  493    HB3  GLN  50           HB3      GLN  50  16.955   1.147  -4.939
  494    HG2  GLN  50           HG2      GLN  50  19.141   1.889  -5.637
  495    HG3  GLN  50           HG3      GLN  50  17.994   2.193  -6.926
  496   HE21  GLN  50          HE21      GLN  50  19.797   3.673  -7.683
  497   HE22  GLN  50          HE22      GLN  50  19.847   5.293  -6.998
  498    H    LYS  51           H        LYS  51  14.648   0.919  -6.269
  499    HA   LYS  51           HA       LYS  51  15.327   1.330  -9.060
  500    HB2  LYS  51           HB2      LYS  51  13.318  -0.616  -7.860
  501    HB3  LYS  51           HB3      LYS  51  14.101  -0.741  -9.429
  502    HG2  LYS  51           HG2      LYS  51  16.306  -1.012  -8.296
  503    HG3  LYS  51           HG3      LYS  51  15.485  -1.025  -6.727
  504    HD2  LYS  51           HD2      LYS  51  14.957  -2.988  -9.001
  505    HD3  LYS  51           HD3      LYS  51  15.991  -3.310  -7.602
  506    HE2  LYS  51           HE2      LYS  51  14.088  -3.093  -6.071
  507    HE3  LYS  51           HE3      LYS  51  13.027  -2.619  -7.403
  508    HZ1  LYS  51           HZ1      LYS  51  12.747  -4.958  -6.885
  509    HZ2  LYS  51           HZ2      LYS  51  14.327  -5.270  -7.143
  510    HZ3  LYS  51           HZ3      LYS  51  13.365  -4.794  -8.390
  511    H    ASP  52           H        ASP  52  13.613   0.975 -10.754
  512    HA   ASP  52           HA       ASP  52  11.059   2.384 -10.217
  513    HB2  ASP  52           HB2      ASP  52  11.027   3.107 -12.594
  514    HB3  ASP  52           HB3      ASP  52  12.173   3.892 -11.521
  515    H    THR  53           H        THR  53  12.138  -0.556 -10.515
  516    HA   THR  53           HA       THR  53   9.612  -1.692 -11.647
  517    HB   THR  53           HB       THR  53  11.251  -3.636 -12.335
  518    HG1  THR  53           HG1      THR  53  13.247  -2.828 -13.124
  519   HG21  THR  53          HG21      THR  53  11.130  -1.124 -14.030
  520   HG22  THR  53          HG22      THR  53   9.900  -2.409 -13.944
  521   HG23  THR  53          HG23      THR  53  11.506  -2.778 -14.591
  522    H    TYR  54           H        TYR  54   8.884  -3.387 -10.406
  523    HA   TYR  54           HA       TYR  54  10.489  -4.386  -8.114
  524    HB2  TYR  54           HB2      TYR  54   7.936  -2.772  -7.903
  525    HB3  TYR  54           HB3      TYR  54   8.601  -3.718  -6.582
  526    HD1  TYR  54           HD1      TYR  54  10.831  -3.134  -5.578
  527    HD2  TYR  54           HD2      TYR  54   8.811  -0.596  -8.422
  528    HE1  TYR  54           HE1      TYR  54  12.244  -1.199  -4.863
  529    HE2  TYR  54           HE2      TYR  54  10.254   1.312  -7.729
  530    HH   TYR  54           HH       TYR  54  12.120   1.906  -6.566
  531    H    THR  55           H        THR  55   9.613  -6.182  -6.931
  532    HA   THR  55           HA       THR  55   7.600  -7.768  -8.397
  533    HB   THR  55           HB       THR  55   7.968  -9.587  -7.148
  534    HG1  THR  55           HG1      THR  55   8.899  -9.515  -5.070
  535   HG21  THR  55          HG21      THR  55  10.112  -8.966  -8.281
  536   HG22  THR  55          HG22      THR  55  10.322  -9.971  -6.838
  537   HG23  THR  55          HG23      THR  55  10.663  -8.231  -6.760
  538    H    MET  56           H        MET  56   5.553  -8.591  -7.363
  539    HA   MET  56           HA       MET  56   4.029  -6.479  -6.199
  540    HB2  MET  56           HB2      MET  56   3.614  -9.463  -6.447
  541    HB3  MET  56           HB3      MET  56   2.500  -8.495  -5.473
  542    HG2  MET  56           HG2      MET  56   3.192  -7.811  -8.347
  543    HG3  MET  56           HG3      MET  56   1.811  -8.806  -7.879
  544    HE1  MET  56           HE1      MET  56   1.931  -5.976  -9.582
  545    HE2  MET  56           HE2      MET  56   0.478  -6.993  -9.437
  546    HE3  MET  56           HE3      MET  56   0.392  -5.259  -9.047
  547    H    LYS  57           H        LYS  57   5.893  -9.045  -4.584
  548    HA   LYS  57           HA       LYS  57   5.088  -8.381  -1.856
  549    HB2  LYS  57           HB2      LYS  57   5.982 -10.553  -2.565
  550    HB3  LYS  57           HB3      LYS  57   7.531  -9.823  -2.969
  551    HG2  LYS  57           HG2      LYS  57   6.395  -9.613  -0.159
  552    HG3  LYS  57           HG3      LYS  57   7.163 -11.094  -0.718
  553    HD2  LYS  57           HD2      LYS  57   9.252  -9.781  -1.258
  554    HD3  LYS  57           HD3      LYS  57   8.497  -8.361  -0.542
  555    HE2  LYS  57           HE2      LYS  57   9.923  -9.284   1.107
  556    HE3  LYS  57           HE3      LYS  57   8.260  -9.580   1.623
  557    HZ1  LYS  57           HZ1      LYS  57   9.736 -11.547   1.873
  558    HZ2  LYS  57           HZ2      LYS  57   9.972 -11.600   0.247
  559    HZ3  LYS  57           HZ3      LYS  57   8.501 -11.881   0.851
  560    H    GLU  58           H        GLU  58   7.778  -7.255  -3.973
  561    HA   GLU  58           HA       GLU  58   8.961  -5.569  -1.948
  562    HB2  GLU  58           HB2      GLU  58   9.027  -5.461  -4.971
  563    HB3  GLU  58           HB3      GLU  58   9.918  -4.347  -3.927
  564    HG2  GLU  58           HG2      GLU  58  11.178  -6.165  -2.927
  565    HG3  GLU  58           HG3      GLU  58  10.275  -7.365  -3.855
  566    H    VAL  59           H        VAL  59   6.534  -4.792  -4.515
  567    HA   VAL  59           HA       VAL  59   6.238  -2.032  -3.795
  568    HB   VAL  59           HB       VAL  59   4.161  -3.876  -5.044
  569   HG11  VAL  59          HG11      VAL  59   3.179  -1.763  -4.114
  570   HG12  VAL  59          HG12      VAL  59   4.323  -0.832  -5.093
  571   HG13  VAL  59          HG13      VAL  59   3.098  -1.860  -5.875
  572   HG21  VAL  59          HG21      VAL  59   6.135  -1.934  -6.337
  573   HG22  VAL  59          HG22      VAL  59   6.191  -3.700  -6.453
  574   HG23  VAL  59          HG23      VAL  59   4.851  -2.826  -7.186
  575    H    LEU  60           H        LEU  60   4.245  -4.887  -2.771
  576    HA   LEU  60           HA       LEU  60   2.700  -3.470  -0.857
  577    HB2  LEU  60           HB2      LEU  60   3.541  -6.380  -1.059
  578    HB3  LEU  60           HB3      LEU  60   2.475  -5.801   0.217
  579    HG   LEU  60           HG       LEU  60   1.835  -5.411  -2.739
  580   HD11  LEU  60          HD11      LEU  60   0.326  -7.295  -2.548
  581   HD12  LEU  60          HD12      LEU  60   0.806  -7.578  -0.865
  582   HD13  LEU  60          HD13      LEU  60   1.975  -7.830  -2.185
  583   HD21  LEU  60          HD21      LEU  60   0.586  -3.898  -1.249
  584   HD22  LEU  60          HD22      LEU  60   0.129  -5.263  -0.210
  585   HD23  LEU  60          HD23      LEU  60  -0.489  -5.151  -1.868
  586    H    PHE  61           H        PHE  61   5.886  -5.155  -0.339
  587    HA   PHE  61           HA       PHE  61   6.123  -4.569   2.382
  588    HB2  PHE  61           HB2      PHE  61   7.695  -6.060   1.486
  589    HB3  PHE  61           HB3      PHE  61   8.174  -4.939   0.232
  590    HD1  PHE  61           HD1      PHE  61   9.761  -3.117   0.609
  591    HD2  PHE  61           HD2      PHE  61   8.633  -5.821   3.777
  592    HE1  PHE  61           HE1      PHE  61  11.626  -2.265   2.000
  593    HE2  PHE  61           HE2      PHE  61  10.498  -4.956   5.173
  594    HZ   PHE  61           HZ       PHE  61  11.994  -3.174   4.289
  595    H    TYR  62           H        TYR  62   7.322  -2.514  -0.216
  596    HA   TYR  62           HA       TYR  62   8.023  -0.344   1.492
  597    HB2  TYR  62           HB2      TYR  62   7.556  -0.544  -1.452
  598    HB3  TYR  62           HB3      TYR  62   7.887   1.011  -0.692
  599    HD1  TYR  62           HD1      TYR  62  10.011   0.856   1.078
  600    HD2  TYR  62           HD2      TYR  62   9.401  -1.531  -2.464
  601    HE1  TYR  62           HE1      TYR  62  12.470   0.535   0.865
  602    HE2  TYR  62           HE2      TYR  62  11.844  -1.896  -2.640
  603    HH   TYR  62           HH       TYR  62  13.914  -1.482  -1.720
  604    H    LEU  63           H        LEU  63   4.929  -0.904  -0.182
  605    HA   LEU  63           HA       LEU  63   3.684   1.524   0.625
  606    HB2  LEU  63           HB2      LEU  63   2.814   0.191  -1.170
  607    HB3  LEU  63           HB3      LEU  63   2.679  -1.234  -0.140
  608    HG   LEU  63           HG       LEU  63   0.864  -0.226   1.142
  609   HD11  LEU  63          HD11      LEU  63   1.078   2.122  -0.788
  610   HD12  LEU  63          HD12      LEU  63   1.510   2.178   0.933
  611   HD13  LEU  63          HD13      LEU  63  -0.158   1.873   0.473
  612   HD21  LEU  63          HD21      LEU  63  -0.834  -0.210  -0.628
  613   HD22  LEU  63          HD22      LEU  63   0.340  -1.502  -0.914
  614   HD23  LEU  63          HD23      LEU  63   0.421  -0.006  -1.865
  615    H    GLY  64           H        GLY  64   3.793  -1.701   2.251
  616    HA2  GLY  64           HA2      GLY  64   2.208  -0.968   4.519
  617    HA3  GLY  64           HA3      GLY  64   3.398  -2.270   4.456
  618    H    GLN  65           H        GLN  65   5.781  -0.843   4.009
  619    HA   GLN  65           HA       GLN  65   6.406   0.327   6.556
  620    HB2  GLN  65           HB2      GLN  65   7.826   0.393   3.868
  621    HB3  GLN  65           HB3      GLN  65   8.511   1.071   5.341
  622    HG2  GLN  65           HG2      GLN  65   7.684  -1.855   5.024
  623    HG3  GLN  65           HG3      GLN  65   9.318  -1.249   4.821
  624   HE21  GLN  65          HE21      GLN  65   7.614  -2.981   6.976
  625   HE22  GLN  65          HE22      GLN  65   8.360  -2.384   8.450
  626    H    TYR  66           H        TYR  66   5.237   1.824   3.527
  627    HA   TYR  66           HA       TYR  66   5.575   4.531   4.459
  628    HB2  TYR  66           HB2      TYR  66   5.498   4.182   2.128
  629    HB3  TYR  66           HB3      TYR  66   3.973   3.342   2.219
  630    HD1  TYR  66           HD1      TYR  66   1.820   4.566   2.689
  631    HD2  TYR  66           HD2      TYR  66   5.576   6.592   2.045
  632    HE1  TYR  66           HE1      TYR  66   0.607   6.693   2.233
  633    HE2  TYR  66           HE2      TYR  66   4.358   8.695   1.544
  634    HH   TYR  66           HH       TYR  66   0.778   8.905   1.709
  635    H    ILE  67           H        ILE  67   2.721   2.402   4.397
  636    HA   ILE  67           HA       ILE  67   0.916   4.097   5.781
  637    HB   ILE  67           HB       ILE  67   1.166   1.072   5.658
  638   HG12  ILE  67          HG12      ILE  67  -0.881   2.822   4.245
  639   HG13  ILE  67          HG13      ILE  67   0.697   2.497   3.531
  640   HG21  ILE  67          HG21      ILE  67  -1.275   1.060   6.371
  641   HG22  ILE  67          HG22      ILE  67  -0.149   1.515   7.640
  642   HG23  ILE  67          HG23      ILE  67  -1.090   2.761   6.805
  643   HD11  ILE  67          HD11      ILE  67   0.284   0.071   3.571
  644   HD12  ILE  67          HD12      ILE  67  -1.334   0.349   4.254
  645   HD13  ILE  67          HD13      ILE  67  -0.941   0.943   2.635
  646    H    MET  68           H        MET  68   3.294   1.773   7.072
  647    HA   MET  68           HA       MET  68   2.762   2.103   9.836
  648    HB2  MET  68           HB2      MET  68   4.095   0.271   8.910
  649    HB3  MET  68           HB3      MET  68   5.334   1.413   8.375
  650    HG2  MET  68           HG2      MET  68   5.654   2.068  10.811
  651    HG3  MET  68           HG3      MET  68   4.603   0.719  11.237
  652    HE1  MET  68           HE1      MET  68   6.739  -2.386  10.157
  653    HE2  MET  68           HE2      MET  68   5.233  -1.799  10.890
  654    HE3  MET  68           HE3      MET  68   5.523  -1.583   9.143
  655    H    THR  69           H        THR  69   5.359   3.746   7.881
  656    HA   THR  69           HA       THR  69   6.082   5.410  10.080
  657    HB   THR  69           HB       THR  69   7.526   4.727   8.127
  658    HG1  THR  69           HG1      THR  69   8.780   6.539   8.468
  659   HG21  THR  69          HG21      THR  69   6.124   5.693   6.295
  660   HG22  THR  69          HG22      THR  69   7.778   6.310   6.305
  661   HG23  THR  69          HG23      THR  69   6.455   7.323   6.919
  662    H    LYS  70           H        LYS  70   3.805   6.015   7.493
  663    HA   LYS  70           HA       LYS  70   3.172   8.764   8.271
  664    HB2  LYS  70           HB2      LYS  70   1.798   6.692   6.527
  665    HB3  LYS  70           HB3      LYS  70   1.251   8.352   6.670
  666    HG2  LYS  70           HG2      LYS  70   4.116   7.797   5.809
  667    HG3  LYS  70           HG3      LYS  70   2.807   7.538   4.678
  668    HD2  LYS  70           HD2      LYS  70   3.340  10.194   6.073
  669    HD3  LYS  70           HD3      LYS  70   3.878   9.741   4.443
  670    HE2  LYS  70           HE2      LYS  70   1.374   9.177   3.996
  671    HE3  LYS  70           HE3      LYS  70   1.029  10.137   5.436
  672    HZ1  LYS  70           HZ1      LYS  70   0.922  11.383   3.342
  673    HZ2  LYS  70           HZ2      LYS  70   2.491  11.107   3.041
  674    HZ3  LYS  70           HZ3      LYS  70   2.070  12.037   4.336
  675    H    ARG  71           H        ARG  71   2.317   5.735   9.576
  676    HA   ARG  71           HA       ARG  71   0.772   4.905  10.986
  677    HB2  ARG  71           HB2      ARG  71   0.619   7.705  12.159
  678    HB3  ARG  71           HB3      ARG  71   0.221   6.172  12.941
  679    HG2  ARG  71           HG2      ARG  71   2.704   5.516  12.481
  680    HG3  ARG  71           HG3      ARG  71   2.950   7.236  12.147
  681    HD2  ARG  71           HD2      ARG  71   3.526   6.950  14.422
  682    HD3  ARG  71           HD3      ARG  71   1.908   7.678  14.453
  683    HE   ARG  71           HE       ARG  71   1.921   4.740  14.467
  684   HH11  ARG  71          HH11      ARG  71   2.001   7.487  16.649
  685   HH12  ARG  71          HH12      ARG  71   1.439   6.527  17.991
  686   HH21  ARG  71          HH21      ARG  71   1.293   3.604  16.151
  687   HH22  ARG  71          HH22      ARG  71   1.040   4.348  17.715
  688    H    LEU  72           H        LEU  72  -0.365   5.231   8.607
  689    HA   LEU  72           HA       LEU  72  -2.853   6.763   8.746
  690    HB2  LEU  72           HB2      LEU  72  -2.058   4.657   6.718
  691    HB3  LEU  72           HB3      LEU  72  -3.366   5.814   6.558
  692    HG   LEU  72           HG       LEU  72  -0.403   6.476   6.666
  693   HD11  LEU  72          HD11      LEU  72  -0.686   7.071   4.298
  694   HD12  LEU  72          HD12      LEU  72  -2.382   6.551   4.357
  695   HD13  LEU  72          HD13      LEU  72  -1.074   5.366   4.578
  696   HD21  LEU  72          HD21      LEU  72  -1.151   8.758   5.956
  697   HD22  LEU  72          HD22      LEU  72  -1.687   8.330   7.586
  698   HD23  LEU  72          HD23      LEU  72  -2.836   8.255   6.228
  699    H    TYR  73           H        TYR  73  -2.084   3.749  10.086
  700    HA   TYR  73           HA       TYR  73  -4.622   2.455   9.794
  701    HB2  TYR  73           HB2      TYR  73  -3.878   1.106  11.795
  702    HB3  TYR  73           HB3      TYR  73  -2.956   1.004  10.310
  703    HD1  TYR  73           HD2      TYR  73  -2.986   2.863  13.584
  704    HD2  TYR  73           HD1      TYR  73  -0.601   1.225  10.381
  705    HE1  TYR  73           HE2      TYR  73  -0.914   3.400  14.853
  706    HE2  TYR  73           HE1      TYR  73   1.465   1.712  11.682
  707    HH   TYR  73           HH       TYR  73   2.326   2.444  13.674
  708    H    ASP  74           H        ASP  74  -6.392   2.127  11.225
  709    HA   ASP  74           HA       ASP  74  -7.032   4.404  12.936
  710    HB2  ASP  74           HB2      ASP  74  -8.890   3.559  11.969
  711    HB3  ASP  74           HB3      ASP  74  -8.478   1.885  12.299
  712    H    GLU  75           H        GLU  75  -6.659   4.699  15.104
  713    HA   GLU  75           HA       GLU  75  -4.753   3.055  16.465
  714    HB2  GLU  75           HB2      GLU  75  -5.180   4.438  18.390
  715    HB3  GLU  75           HB3      GLU  75  -5.057   5.432  16.935
  716    HG2  GLU  75           HG2      GLU  75  -7.565   5.571  16.867
  717    HG3  GLU  75           HG3      GLU  75  -7.633   4.643  18.370
  718    H    LYS  76           H        LYS  76  -8.282   2.891  16.373
  719    HA   LYS  76           HA       LYS  76  -8.404   0.828  18.507
  720    HB2  LYS  76           HB2      LYS  76 -10.615   1.723  16.617
  721    HB3  LYS  76           HB3      LYS  76 -10.784   0.768  18.082
  722    HG2  LYS  76           HG2      LYS  76  -9.969   3.700  17.897
  723    HG3  LYS  76           HG3      LYS  76 -11.517   3.057  18.434
  724    HD2  LYS  76           HD2      LYS  76 -10.391   1.963  20.373
  725    HD3  LYS  76           HD3      LYS  76  -8.844   2.677  19.858
  726    HE2  LYS  76           HE2      LYS  76  -9.817   4.947  20.051
  727    HE3  LYS  76           HE3      LYS  76 -11.363   4.251  20.551
  728    HZ1  LYS  76           HZ1      LYS  76 -10.244   3.341  22.518
  729    HZ2  LYS  76           HZ2      LYS  76 -10.051   4.959  22.466
  730    HZ3  LYS  76           HZ3      LYS  76  -8.812   3.982  22.056
  731    H    GLN  77           H        GLN  77  -9.304   0.849  15.019
  732    HA   GLN  77           HA       GLN  77  -8.817  -2.087  14.900
  733    HB2  GLN  77           HB2      GLN  77 -10.171  -0.208  12.940
  734    HB3  GLN  77           HB3      GLN  77 -10.073  -1.952  12.789
  735    HG2  GLN  77           HG2      GLN  77 -11.631  -2.366  14.445
  736    HG3  GLN  77           HG3      GLN  77 -11.338  -0.851  15.295
  737   HE21  GLN  77          HE21      GLN  77 -11.806   1.202  13.697
  738   HE22  GLN  77          HE22      GLN  77 -13.411   1.080  12.960
  739    H    GLN  78           H        GLN  78  -6.439  -1.897  14.927
  740    HA   GLN  78           HA       GLN  78  -5.079  -0.332  12.931
  741    HB2  GLN  78           HB2      GLN  78  -4.253  -2.454  14.885
  742    HB3  GLN  78           HB3      GLN  78  -3.111  -1.917  13.638
  743    HG2  GLN  78           HG2      GLN  78  -3.352   0.412  14.366
  744    HG3  GLN  78           HG3      GLN  78  -4.496  -0.066  15.620
  745   HE21  GLN  78          HE21      GLN  78  -1.807   1.274  15.850
  746   HE22  GLN  78          HE22      GLN  78  -0.966   0.249  17.003
  747    H    HIS  79           H        HIS  79  -6.690  -3.318  12.611
  748    HA   HIS  79           HA       HIS  79  -5.305  -4.179  10.188
  749    HB2  HIS  79           HB2      HIS  79  -6.928  -5.903  10.105
  750    HB3  HIS  79           HB3      HIS  79  -6.470  -5.694  11.796
  751    HD1  HIS  79           HD1      HIS  79  -8.436  -4.944  13.483
  752    HD2  HIS  79           HD2      HIS  79  -9.463  -5.282   9.417
  753    HE1  HIS  79           HE1      HIS  79 -10.975  -4.784  13.370
  754    H    ILE  80           H        ILE  80  -7.182  -1.473  10.741
  755    HA   ILE  80           HA       ILE  80  -8.125  -1.352   7.915
  756    HB   ILE  80           HB       ILE  80  -9.316   0.102  10.296
  757   HG12  ILE  80          HG12      ILE  80 -10.305  -2.365   8.799
  758   HG13  ILE  80          HG13      ILE  80  -9.813  -2.275  10.488
  759   HG21  ILE  80          HG21      ILE  80 -10.301  -0.121   7.416
  760   HG22  ILE  80          HG22      ILE  80 -11.067   0.794   8.731
  761   HG23  ILE  80          HG23      ILE  80  -9.514   1.312   8.114
  762   HD11  ILE  80          HD11      ILE  80 -11.719  -0.660  10.887
  763   HD12  ILE  80          HD12      ILE  80 -12.309  -1.079   9.260
  764   HD13  ILE  80          HD13      ILE  80 -12.173  -2.334  10.501
  765    H    VAL  81           H        VAL  81  -7.406   0.234   6.689
  766    HA   VAL  81           HA       VAL  81  -5.523   2.252   7.833
  767    HB   VAL  81           HB       VAL  81  -5.564   1.105   5.034
  768   HG11  VAL  81          HG11      VAL  81  -3.563   2.904   6.459
  769   HG12  VAL  81          HG12      VAL  81  -3.338   2.194   4.846
  770   HG13  VAL  81          HG13      VAL  81  -4.617   3.379   5.105
  771   HG21  VAL  81          HG21      VAL  81  -4.834  -0.641   6.592
  772   HG22  VAL  81          HG22      VAL  81  -3.459  -0.038   5.674
  773   HG23  VAL  81          HG23      VAL  81  -3.692   0.486   7.359
  774    H    TYR  82           H        TYR  82  -6.028   4.308   7.669
  775    HA   TYR  82           HA       TYR  82  -8.303   5.158   6.002
  776    HB2  TYR  82           HB2      TYR  82  -7.249   6.225   8.583
  777    HB3  TYR  82           HB3      TYR  82  -8.262   7.192   7.520
  778    HD1  TYR  82           HD1      TYR  82  -8.177   4.007   9.461
  779    HD2  TYR  82           HD2      TYR  82 -10.617   6.861   7.332
  780    HE1  TYR  82           HE1      TYR  82 -10.221   2.896  10.322
  781    HE2  TYR  82           HE2      TYR  82 -12.671   5.741   8.197
  782    HH   TYR  82           HH       TYR  82 -12.521   2.897  10.372
  783    H    CYS  83           H        CYS  83  -7.034   5.041   4.098
  784    HA   CYS  83           HA       CYS  83  -4.887   6.876   3.611
  785    HB2  CYS  83           HB2      CYS  83  -5.273   6.116   1.211
  786    HB3  CYS  83           HB3      CYS  83  -4.896   4.877   2.411
  787    HG   CYS  83           HG       CYS  83  -7.826   5.670   1.049
  788    H    SER  84           H        SER  84  -8.112   7.689   3.937
  789    HA   SER  84           HA       SER  84  -8.840   9.453   2.002
  790    HB2  SER  84           HB2      SER  84 -10.182   8.972   4.002
  791    HB3  SER  84           HB3      SER  84  -9.058   9.904   5.001
  792    HG   SER  84           HG       SER  84 -10.967  11.065   4.311
  793    H    ASN  85           H        ASN  85  -8.274  11.299   1.154
  794    HA   ASN  85           HA       ASN  85  -7.187  13.154   0.567
  795    HB2  ASN  85           HB2      ASN  85  -7.461  13.637   3.546
  796    HB3  ASN  85           HB3      ASN  85  -6.804  14.845   2.452
  797   HD21  ASN  85          HD21      ASN  85  -9.765  12.857   3.018
  798   HD22  ASN  85          HD22      ASN  85 -10.810  14.047   2.254
  799    H    ASP  86           H        ASP  86  -5.318  10.825   1.915
  800    HA   ASP  86           HA       ASP  86  -2.758  12.304   1.766
  801    HB2  ASP  86           HB2      ASP  86  -3.110  10.526   3.473
  802    HB3  ASP  86           HB3      ASP  86  -3.364   9.345   2.177
  803    H    LEU  87           H        LEU  87  -1.010  11.323   0.359
  804    HA   LEU  87           HA       LEU  87  -1.541  11.134  -2.429
  805    HB2  LEU  87           HB2      LEU  87   0.645  11.621  -1.589
  806    HB3  LEU  87           HB3      LEU  87   0.684  10.142  -0.635
  807    HG   LEU  87           HG       LEU  87   0.831   8.764  -2.670
  808   HD11  LEU  87          HD11      LEU  87  -0.352  10.168  -4.304
  809   HD12  LEU  87          HD12      LEU  87   1.288   9.814  -4.849
  810   HD13  LEU  87          HD13      LEU  87   0.908  11.418  -4.168
  811   HD21  LEU  87          HD21      LEU  87   2.829  11.055  -2.556
  812   HD22  LEU  87          HD22      LEU  87   3.104   9.479  -3.335
  813   HD23  LEU  87          HD23      LEU  87   2.875   9.572  -1.578
  814    H    LEU  88           H        LEU  88  -1.353   8.529   0.080
  815    HA   LEU  88           HA       LEU  88  -1.680   6.361  -1.722
  816    HB2  LEU  88           HB2      LEU  88  -0.859   6.173   0.581
  817    HB3  LEU  88           HB3      LEU  88  -2.436   6.648   1.211
  818    HG   LEU  88           HG       LEU  88  -3.453   4.594   0.298
  819   HD11  LEU  88          HD11      LEU  88  -2.082   4.163  -1.675
  820   HD12  LEU  88          HD12      LEU  88  -1.930   2.796  -0.590
  821   HD13  LEU  88          HD13      LEU  88  -0.626   3.993  -0.674
  822   HD21  LEU  88          HD21      LEU  88  -0.931   4.059   1.901
  823   HD22  LEU  88          HD22      LEU  88  -2.361   3.004   1.800
  824   HD23  LEU  88          HD23      LEU  88  -2.491   4.602   2.556
  825    H    GLY  89           H        GLY  89  -4.140   8.423  -0.197
  826    HA2  GLY  89           HA2      GLY  89  -6.481   6.936  -0.882
  827    HA3  GLY  89           HA3      GLY  89  -6.381   8.684  -0.621
  828    H    ASP  90           H        ASP  90  -4.415   9.071  -2.848
  829    HA   ASP  90           HA       ASP  90  -6.293   9.141  -5.088
  830    HB2  ASP  90           HB2      ASP  90  -3.433  10.068  -4.812
  831    HB3  ASP  90           HB3      ASP  90  -4.292  10.052  -6.343
  832    H    LEU  91           H        LEU  91  -3.698   6.969  -4.140
  833    HA   LEU  91           HA       LEU  91  -3.771   5.472  -6.655
  834    HB2  LEU  91           HB2      LEU  91  -2.578   4.964  -3.896
  835    HB3  LEU  91           HB3      LEU  91  -2.596   3.745  -5.147
  836    HG   LEU  91           HG       LEU  91  -0.480   4.644  -5.173
  837   HD11  LEU  91          HD11      LEU  91  -1.458   4.297  -7.428
  838   HD12  LEU  91          HD12      LEU  91  -0.199   5.543  -7.414
  839   HD13  LEU  91          HD13      LEU  91  -1.887   6.026  -7.492
  840   HD21  LEU  91          HD21      LEU  91  -0.865   6.729  -3.964
  841   HD22  LEU  91          HD22      LEU  91  -1.534   7.466  -5.439
  842   HD23  LEU  91          HD23      LEU  91   0.164   6.940  -5.378
  843    H    PHE  92           H        PHE  92  -4.964   4.717  -3.317
  844    HA   PHE  92           HA       PHE  92  -6.433   2.473  -4.352
  845    HB2  PHE  92           HB2      PHE  92  -6.298   3.665  -1.610
  846    HB3  PHE  92           HB3      PHE  92  -7.471   2.426  -2.009
  847    HD1  PHE  92           HD1      PHE  92  -6.285   0.416  -3.561
  848    HD2  PHE  92           HD2      PHE  92  -4.554   2.691  -0.355
  849    HE1  PHE  92           HE1      PHE  92  -4.681  -1.440  -3.120
  850    HE2  PHE  92           HE2      PHE  92  -2.990   0.815   0.124
  851    HZ   PHE  92           HZ       PHE  92  -3.042  -1.238  -1.269
  852    H    GLY  93           H        GLY  93  -7.462   5.762  -4.082
  853    HA2  GLY  93           HA2      GLY  93  -9.333   6.739  -4.974
  854    HA3  GLY  93           HA3      GLY  93  -9.832   5.174  -5.626
  855    H    VAL  94           H        VAL  94  -9.293   5.404  -2.184
  856    HA   VAL  94           HA       VAL  94 -12.183   5.699  -1.539
  857    HB   VAL  94           HB       VAL  94 -11.936   3.731   0.055
  858   HG11  VAL  94          HG11      VAL  94 -13.257   3.595  -2.005
  859   HG12  VAL  94          HG12      VAL  94 -11.818   3.041  -2.897
  860   HG13  VAL  94          HG13      VAL  94 -12.497   2.047  -1.592
  861   HG21  VAL  94          HG21      VAL  94  -9.623   2.897  -1.715
  862   HG22  VAL  94          HG22      VAL  94  -9.448   3.474  -0.040
  863   HG23  VAL  94          HG23      VAL  94 -10.339   1.984  -0.382
  864    HA   PRO  95           HA       PRO  95 -10.463   7.831   1.998
  865    HB2  PRO  95           HB2      PRO  95 -12.447   7.582   3.872
  866    HB3  PRO  95           HB3      PRO  95 -12.612   8.598   2.407
  867    HG2  PRO  95           HG2      PRO  95 -13.587   5.743   2.800
  868    HG3  PRO  95           HG3      PRO  95 -14.514   7.153   2.190
  869    HD2  PRO  95           HD2      PRO  95 -13.379   5.376   0.503
  870    HD3  PRO  95           HD3      PRO  95 -13.372   7.121   0.122
  871    H    SER  96           H        SER  96 -11.499   4.455   2.331
  872    HA   SER  96           HA       SER  96  -9.189   3.835   3.955
  873    HB2  SER  96           HB2      SER  96 -10.425   2.890   5.868
  874    HB3  SER  96           HB3      SER  96 -10.723   4.624   5.709
  875    HG   SER  96           HG       SER  96 -12.660   3.465   6.082
  876    H    PHE  97           H        PHE  97  -8.951   1.531   4.399
  877    HA   PHE  97           HA       PHE  97 -10.778  -0.385   3.107
  878    HB2  PHE  97           HB2      PHE  97  -9.141  -1.379   1.677
  879    HB3  PHE  97           HB3      PHE  97  -9.131   0.329   1.294
  880    HD1  PHE  97           HD1      PHE  97  -7.292  -2.439   2.900
  881    HD2  PHE  97           HD2      PHE  97  -7.105   1.687   1.703
  882    HE1  PHE  97           HE1      PHE  97  -4.860  -2.416   3.384
  883    HE2  PHE  97           HE2      PHE  97  -4.655   1.698   2.140
  884    HZ   PHE  97           HZ       PHE  97  -3.530  -0.377   2.981
  885    H    SER  98           H        SER  98 -10.307  -2.590   3.914
  886    HA   SER  98           HA       SER  98  -8.681  -2.649   6.408
  887    HB2  SER  98           HB2      SER  98  -9.915  -4.615   7.044
  888    HB3  SER  98           HB3      SER  98 -11.000  -3.253   6.726
  889    HG   SER  98           HG       SER  98 -11.830  -5.107   5.769
  890    H    VAL  99           H        VAL  99  -6.950  -3.907   6.648
  891    HA   VAL  99           HA       VAL  99  -5.632  -5.071   4.371
  892    HB   VAL  99           HB       VAL  99  -4.900  -5.628   7.205
  893   HG11  VAL  99          HG11      VAL  99  -3.667  -6.955   5.565
  894   HG12  VAL  99          HG12      VAL  99  -3.312  -5.489   4.610
  895   HG13  VAL  99          HG13      VAL  99  -2.608  -5.714   6.229
  896   HG21  VAL  99          HG21      VAL  99  -4.097  -3.200   5.561
  897   HG22  VAL  99          HG22      VAL  99  -5.069  -3.180   7.048
  898   HG23  VAL  99          HG23      VAL  99  -3.385  -3.681   7.115
  899    H    LYS 100           H        LYS 100  -7.746  -6.386   6.784
  900    HA   LYS 100           HA       LYS 100  -7.287  -9.164   6.396
  901    HB2  LYS 100           HB2      LYS 100  -8.568  -7.976   8.263
  902    HB3  LYS 100           HB3      LYS 100  -9.904  -7.763   7.138
  903    HG2  LYS 100           HG2      LYS 100 -10.269  -9.642   8.654
  904    HG3  LYS 100           HG3      LYS 100 -10.189 -10.221   6.986
  905    HD2  LYS 100           HD2      LYS 100  -8.011 -11.131   7.273
  906    HD3  LYS 100           HD3      LYS 100  -7.712 -10.184   8.730
  907    HE2  LYS 100           HE2      LYS 100  -9.740 -12.445   8.548
  908    HE3  LYS 100           HE3      LYS 100  -8.064 -12.649   9.076
  909    HZ1  LYS 100           HZ1      LYS 100 -10.036 -10.894  10.442
  910    HZ2  LYS 100           HZ2      LYS 100  -8.486 -11.140  10.923
  911    HZ3  LYS 100           HZ3      LYS 100  -9.561 -12.364  10.964
  912    H    GLU 101           H        GLU 101  -9.227  -6.888   4.509
  913    HA   GLU 101           HA       GLU 101 -10.200  -9.002   2.704
  914    HB2  GLU 101           HB2      GLU 101 -10.666  -6.051   2.962
  915    HB3  GLU 101           HB3      GLU 101 -11.032  -6.859   1.439
  916    HG2  GLU 101           HG2      GLU 101 -12.018  -7.936   4.119
  917    HG3  GLU 101           HG3      GLU 101 -12.864  -6.756   3.150
  918    H    HIS 102           H        HIS 102  -8.172  -9.732   2.501
  919    HA   HIS 102           HA       HIS 102  -5.978  -8.527   1.173
  920    HB2  HIS 102           HB2      HIS 102  -6.807 -11.443   0.937
  921    HB3  HIS 102           HB3      HIS 102  -5.215 -10.794   0.604
  922    HD1  HIS 102           HD1      HIS 102  -5.152  -9.093   3.561
  923    HD2  HIS 102           HD2      HIS 102  -5.778 -13.151   2.650
  924    HE1  HIS 102           HE1      HIS 102  -4.090 -10.438   5.461
  925    H    ARG 103           H        ARG 103  -8.607 -10.439  -0.314
  926    HA   ARG 103           HA       ARG 103  -7.891 -10.201  -3.045
  927    HB2  ARG 103           HB2      ARG 103 -10.286 -10.744  -3.488
  928    HB3  ARG 103           HB3      ARG 103  -9.533 -11.809  -2.299
  929    HG2  ARG 103           HG2      ARG 103 -10.600 -10.494  -0.462
  930    HG3  ARG 103           HG3      ARG 103 -11.401  -9.478  -1.670
  931    HD2  ARG 103           HD2      ARG 103 -12.693 -11.359  -2.476
  932    HD3  ARG 103           HD3      ARG 103 -11.797 -12.478  -1.412
  933    HE   ARG 103           HE       ARG 103 -12.844 -10.360   0.171
  934   HH11  ARG 103          HH11      ARG 103 -14.180 -13.133  -1.512
  935   HH12  ARG 103          HH12      ARG 103 -15.504 -13.271  -0.386
  936   HH21  ARG 103          HH21      ARG 103 -14.459 -10.594   1.558
  937   HH22  ARG 103          HH22      ARG 103 -15.671 -11.840   1.321
  938    H    LYS 104           H        LYS 104  -9.712  -7.908  -1.054
  939    HA   LYS 104           HA       LYS 104 -10.510  -6.175  -3.242
  940    HB2  LYS 104           HB2      LYS 104 -11.614  -6.366  -0.980
  941    HB3  LYS 104           HB3      LYS 104 -10.234  -5.496  -0.287
  942    HG2  LYS 104           HG2      LYS 104 -10.716  -3.567  -1.786
  943    HG3  LYS 104           HG3      LYS 104 -12.107  -4.429  -2.445
  944    HD2  LYS 104           HD2      LYS 104 -11.745  -3.608   0.476
  945    HD3  LYS 104           HD3      LYS 104 -12.704  -2.734  -0.728
  946    HE2  LYS 104           HE2      LYS 104 -14.136  -4.766  -1.037
  947    HE3  LYS 104           HE3      LYS 104 -13.226  -5.583   0.241
  948    HZ1  LYS 104           HZ1      LYS 104 -15.257  -4.574   1.106
  949    HZ2  LYS 104           HZ2      LYS 104 -14.808  -3.091   0.603
  950    HZ3  LYS 104           HZ3      LYS 104 -13.967  -3.842   1.787
  951    H    ILE 105           H        ILE 105  -7.751  -6.157  -0.954
  952    HA   ILE 105           HA       ILE 105  -6.500  -3.810  -2.098
  953    HB   ILE 105           HB       ILE 105  -5.339  -6.117  -0.507
  954   HG12  ILE 105          HG12      ILE 105  -5.774  -3.213   0.320
  955   HG13  ILE 105          HG13      ILE 105  -7.035  -4.426   0.509
  956   HG21  ILE 105          HG21      ILE 105  -3.357  -4.495  -0.213
  957   HG22  ILE 105          HG22      ILE 105  -3.490  -5.264  -1.795
  958   HG23  ILE 105          HG23      ILE 105  -4.020  -3.578  -1.563
  959   HD11  ILE 105          HD11      ILE 105  -5.473  -5.828   1.892
  960   HD12  ILE 105          HD12      ILE 105  -4.342  -4.441   1.890
  961   HD13  ILE 105          HD13      ILE 105  -5.961  -4.273   2.566
  962    H    TYR 106           H        TYR 106  -5.895  -7.336  -2.714
  963    HA   TYR 106           HA       TYR 106  -4.036  -6.912  -4.733
  964    HB2  TYR 106           HB2      TYR 106  -5.878  -9.214  -4.216
  965    HB3  TYR 106           HB3      TYR 106  -4.793  -9.211  -5.602
  966    HD1  TYR 106           HD1      TYR 106  -2.259  -8.368  -4.955
  967    HD2  TYR 106           HD2      TYR 106  -5.067 -10.363  -2.356
  968    HE1  TYR 106           HE1      TYR 106  -0.378  -9.215  -3.549
  969    HE2  TYR 106           HE2      TYR 106  -3.190 -11.154  -0.933
  970    HH   TYR 106           HH       TYR 106  -0.934 -11.077  -0.564
  971    H    THR 107           H        THR 107  -7.549  -7.087  -5.304
  972    HA   THR 107           HA       THR 107  -7.253  -6.698  -8.115
  973    HB   THR 107           HB       THR 107  -9.288  -7.593  -6.870
  974    HG1  THR 107           HG1      THR 107  -9.397  -7.473  -8.973
  975   HG21  THR 107          HG21      THR 107 -11.114  -6.011  -6.562
  976   HG22  THR 107          HG22      THR 107 -10.060  -4.639  -6.959
  977   HG23  THR 107          HG23      THR 107  -9.778  -5.592  -5.484
  978    H    MET 108           H        MET 108  -7.442  -4.266  -5.536
  979    HA   MET 108           HA       MET 108  -7.478  -2.014  -7.385
  980    HB2  MET 108           HB2      MET 108  -6.716  -2.200  -4.449
  981    HB3  MET 108           HB3      MET 108  -6.782  -0.706  -5.400
  982    HG2  MET 108           HG2      MET 108  -9.172  -1.157  -5.914
  983    HG3  MET 108           HG3      MET 108  -9.136  -2.540  -4.832
  984    HE1  MET 108           HE1      MET 108  -8.619  -0.742  -1.299
  985    HE2  MET 108           HE2      MET 108  -8.926  -2.299  -2.096
  986    HE3  MET 108           HE3      MET 108  -7.376  -1.475  -2.328
  987    H    MET 109           H        MET 109  -4.864  -3.821  -5.728
  988    HA   MET 109           HA       MET 109  -2.703  -2.119  -6.575
  989    HB2  MET 109           HB2      MET 109  -2.776  -5.044  -5.741
  990    HB3  MET 109           HB3      MET 109  -1.289  -4.164  -6.080
  991    HG2  MET 109           HG2      MET 109  -3.307  -3.377  -3.951
  992    HG3  MET 109           HG3      MET 109  -1.855  -4.316  -3.655
  993    HE1  MET 109           HE1      MET 109   0.574  -3.367  -3.544
  994    HE2  MET 109           HE2      MET 109   0.504  -2.857  -5.247
  995    HE3  MET 109           HE3      MET 109   0.997  -1.706  -3.990
  996    H    ALA 110           H        ALA 110  -4.295  -4.912  -8.147
  997    HA   ALA 110           HA       ALA 110  -2.494  -5.234 -10.317
  998    HB1  ALA 110           HB1      ALA 110  -4.437  -6.291 -11.423
  999    HB2  ALA 110           HB2      ALA 110  -4.316  -6.795  -9.723
 1000    HB3  ALA 110           HB3      ALA 110  -5.525  -5.588 -10.205
 1001    H    SER 111           H        SER 111  -5.256  -2.942  -9.967
 1002    HA   SER 111           HA       SER 111  -4.994  -1.753 -12.555
 1003    HB2  SER 111           HB2      SER 111  -6.189  -0.682  -9.976
 1004    HB3  SER 111           HB3      SER 111  -6.308   0.123 -11.551
 1005    HG   SER 111           HG       SER 111  -8.122  -1.222 -11.131
 1006    H    MET 112           H        MET 112  -2.994  -1.327  -9.723
 1007    HA   MET 112           HA       MET 112  -1.934   1.276 -10.600
 1008    HB2  MET 112           HB2      MET 112  -0.915  -0.544  -8.391
 1009    HB3  MET 112           HB3      MET 112  -0.483   1.145  -8.689
 1010    HG2  MET 112           HG2      MET 112  -2.843   1.815  -8.265
 1011    HG3  MET 112           HG3      MET 112  -3.222   0.129  -7.896
 1012    HE1  MET 112           HE1      MET 112  -3.499   1.349  -4.335
 1013    HE2  MET 112           HE2      MET 112  -4.265   1.730  -5.896
 1014    HE3  MET 112           HE3      MET 112  -3.968   0.037  -5.444
 1015    H    THR 113           H        THR 113  -1.349  -1.893 -11.607
 1016    HA   THR 113           HA       THR 113   1.244  -1.050 -12.770
 1017    HB   THR 113           HB       THR 113   2.456  -2.861 -12.236
 1018    HG1  THR 113           HG1      THR 113   1.626  -4.824 -11.667
 1019   HG21  THR 113          HG21      THR 113   1.975  -1.650 -10.101
 1020   HG22  THR 113          HG22      THR 113   2.268  -3.368  -9.845
 1021   HG23  THR 113          HG23      THR 113   0.614  -2.754  -9.801
 1022    H    GLY 114           H        GLY 114  -1.613  -3.020 -13.299
 1023    HA2  GLY 114           HA2      GLY 114  -0.897  -3.202 -16.209
 1024    HA3  GLY 114           HA3      GLY 114  -1.920  -4.335 -15.330
 1025    H    GLY 115           H        GLY 115  -2.828  -1.332 -14.206
 1026    HA2  GLY 115           HA2      GLY 115  -5.309  -1.330 -15.781
 1027    HA3  GLY 115           HA3      GLY 115  -4.941  -0.340 -14.382
 1028    H    GLN 116           H        GLN 116  -6.191   1.079 -15.941
 1029    HA   GLN 116           HA       GLN 116  -4.318   2.886 -17.368
 1030    HB2  GLN 116           HB2      GLN 116  -6.970   1.893 -18.494
 1031    HB3  GLN 116           HB3      GLN 116  -6.004   3.215 -19.160
 1032    HG2  GLN 116           HG2      GLN 116  -4.109   1.618 -19.525
 1033    HG3  GLN 116           HG3      GLN 116  -5.143   0.296 -18.978
 1034   HE21  GLN 116          HE21      GLN 116  -4.173  -0.165 -21.390
 1035   HE22  GLN 116          HE22      GLN 116  -5.358   0.182 -22.643
 1036    H    GLN 117           H        GLN 117  -5.198   5.060 -17.672
 1037    HA   GLN 117           HA       GLN 117  -7.489   5.890 -16.034
 1038    HB2  GLN 117           HB2      GLN 117  -6.238   7.416 -14.629
 1039    HB3  GLN 117           HB3      GLN 117  -5.665   5.768 -14.391
 1040    HG2  GLN 117           HG2      GLN 117  -3.698   6.272 -15.889
 1041    HG3  GLN 117           HG3      GLN 117  -4.285   7.930 -16.050
 1042   HE21  GLN 117          HE21      GLN 117  -2.235   8.685 -15.130
 1043   HE22  GLN 117          HE22      GLN 117  -1.979   8.552 -13.396
 1044    H    MET 118           H        MET 118  -7.958   8.208 -16.264
 1045    HA   MET 118           HA       MET 118  -6.806   9.604 -18.610
 1046    HB2  MET 118           HB2      MET 118  -8.490   8.121 -19.583
 1047    HB3  MET 118           HB3      MET 118  -9.724   8.743 -18.481
 1048    HG2  MET 118           HG2      MET 118  -9.526  10.981 -19.485
 1049    HG3  MET 118           HG3      MET 118  -8.246  10.410 -20.556
 1050    HE1  MET 118           HE1      MET 118  -8.586   8.933 -22.657
 1051    HE2  MET 118           HE2      MET 118  -9.258   7.598 -21.690
 1052    HE3  MET 118           HE3      MET 118 -10.121   8.173 -23.129
 1053    H    GLY 119           H        GLY 119  -9.279   9.704 -16.007
 1054    HA2  GLY 119           HA2      GLY 119  -8.437  12.078 -14.789
 1055    HA3  GLY 119           HA3      GLY 119  -9.635  12.563 -15.991
  Start of MODEL   17
    1    H1   MET -11           H1       MET -11   6.247  -2.384  18.964
    2    H2   MET -11           H2       MET -11   6.516  -3.975  19.231
    3    H3   MET -11           H3       MET -11   5.003  -3.357  19.382
    4    HA   MET -11           HA       MET -11   6.544  -3.470  16.886
    5    HB2  MET -11           HB2      MET -11   4.947  -5.192  16.103
    6    HB3  MET -11           HB3      MET -11   5.983  -5.702  17.418
    7    HG2  MET -11           HG2      MET -11   3.889  -6.638  17.874
    8    HG3  MET -11           HG3      MET -11   4.088  -5.341  19.028
    9    HE1  MET -11           HE1      MET -11   2.776  -5.621  15.253
   10    HE2  MET -11           HE2      MET -11   1.967  -6.899  16.191
   11    HE3  MET -11           HE3      MET -11   1.027  -5.538  15.550
   12    HA   PRO -10           HA       PRO -10   3.557  -0.523  15.347
   13    HB2  PRO -10           HB2      PRO -10   3.908  -1.730  12.640
   14    HB3  PRO -10           HB3      PRO -10   4.198  -0.054  13.187
   15    HG2  PRO -10           HG2      PRO -10   6.263  -1.763  12.626
   16    HG3  PRO -10           HG3      PRO -10   6.359  -0.585  13.976
   17    HD2  PRO -10           HD2      PRO -10   5.622  -3.526  14.101
   18    HD3  PRO -10           HD3      PRO -10   6.788  -2.608  15.105
   19    H    ARG  -9           H        ARG  -9   1.420  -0.821  15.691
   20    HA   ARG  -9           HA       ARG  -9   0.232  -3.344  15.999
   21    HB2  ARG  -9           HB2      ARG  -9  -1.277  -0.745  15.493
   22    HB3  ARG  -9           HB3      ARG  -9  -1.854  -2.163  16.361
   23    HG2  ARG  -9           HG2      ARG  -9   0.277  -0.204  17.284
   24    HG3  ARG  -9           HG3      ARG  -9  -1.338  -0.454  17.940
   25    HD2  ARG  -9           HD2      ARG  -9  -0.629  -2.832  18.521
   26    HD3  ARG  -9           HD3      ARG  -9   1.021  -2.377  18.093
   27    HE   ARG  -9           HE       ARG  -9  -0.585  -1.453  20.409
   28   HH11  ARG  -9          HH11      ARG  -9   2.567  -1.229  18.816
   29   HH12  ARG  -9          HH12      ARG  -9   3.227  -0.328  20.153
   30   HH21  ARG  -9          HH21      ARG  -9   0.385  -0.374  22.058
   31   HH22  ARG  -9          HH22      ARG  -9   2.062   0.071  21.951
   32    H    PHE  -8           H        PHE  -8   0.149  -1.329  13.161
   33    HA   PHE  -8           HA       PHE  -8  -1.694  -2.942  11.639
   34    HB2  PHE  -8           HB2      PHE  -8  -1.763  -0.761  11.072
   35    HB3  PHE  -8           HB3      PHE  -8  -0.032  -0.523  11.224
   36    HD1  PHE  -8           HD2      PHE  -8   1.552  -1.185   9.465
   37    HD2  PHE  -8           HD1      PHE  -8  -2.722  -1.338   8.890
   38    HE1  PHE  -8           HE2      PHE  -8   1.887  -1.277   7.012
   39    HE2  PHE  -8           HE1      PHE  -8  -2.375  -1.374   6.423
   40    HZ   PHE  -8           HZ       PHE  -8  -0.071  -1.348   5.492
   41    H    TRP  -7           H        TRP  -7   1.804  -3.202  11.975
   42    HA   TRP  -7           HA       TRP  -7   2.237  -4.213   9.341
   43    HB2  TRP  -7           HB2      TRP  -7   4.001  -3.157  10.552
   44    HB3  TRP  -7           HB3      TRP  -7   3.940  -4.372  11.827
   45    HD1  TRP  -7           HD1      TRP  -7   5.168  -6.633  11.451
   46    HE1  TRP  -7           HE1      TRP  -7   6.651  -7.635   9.612
   47    HE3  TRP  -7           HE3      TRP  -7   4.338  -3.167   7.771
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.304  -7.070   6.857
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.375  -3.460   5.526
   50    HH2  TRP  -7           HH2      TRP  -7   6.844  -5.393   5.061
   51    H    GLU  -6           H        GLU  -6   1.651  -6.043  12.360
   52    HA   GLU  -6           HA       GLU  -6   2.062  -8.616  11.118
   53    HB2  GLU  -6           HB2      GLU  -6   0.580  -7.813  13.644
   54    HB3  GLU  -6           HB3      GLU  -6   0.755  -9.487  13.083
   55    HG2  GLU  -6           HG2      GLU  -6   3.260  -9.128  13.005
   56    HG3  GLU  -6           HG3      GLU  -6   3.012  -7.585  13.819
   57    H    TYR  -5           H        TYR  -5  -0.480  -6.417  10.643
   58    HA   TYR  -5           HA       TYR  -5  -2.285  -8.478   9.533
   59    HB2  TYR  -5           HB2      TYR  -5  -2.631  -5.532  10.036
   60    HB3  TYR  -5           HB3      TYR  -5  -3.646  -6.390   8.899
   61    HD1  TYR  -5           HD2      TYR  -5  -2.681  -6.177  12.487
   62    HD2  TYR  -5           HD1      TYR  -5  -5.309  -7.939   9.563
   63    HE1  TYR  -5           HE2      TYR  -5  -4.160  -7.013  14.315
   64    HE2  TYR  -5           HE1      TYR  -5  -6.818  -8.718  11.378
   65    HH   TYR  -5           HH       TYR  -5  -7.170  -8.842  13.654
   66    H    TRP  -4           H        TRP  -4  -0.380  -5.728   8.370
   67    HA   TRP  -4           HA       TRP  -4  -0.931  -6.132   5.558
   68    HB2  TRP  -4           HB2      TRP  -4  -0.061  -4.070   6.773
   69    HB3  TRP  -4           HB3      TRP  -4   1.506  -4.867   6.892
   70    HD1  TRP  -4           HD1      TRP  -4   2.892  -5.145   4.633
   71    HE1  TRP  -4           HE1      TRP  -4   2.676  -4.163   2.272
   72    HE3  TRP  -4           HE3      TRP  -4  -1.877  -3.354   4.958
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.585  -3.011   0.646
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.999  -2.404   2.962
   75    HH2  TRP  -4           HH2      TRP  -4  -1.788  -2.230   0.803
   76    H    LEU  -3           H        LEU  -3   1.583  -7.516   7.709
   77    HA   LEU  -3           HA       LEU  -3   3.145  -8.779   5.754
   78    HB2  LEU  -3           HB2      LEU  -3   3.573  -8.597   8.229
   79    HB3  LEU  -3           HB3      LEU  -3   2.334  -9.824   8.497
   80    HG   LEU  -3           HG       LEU  -3   3.748 -11.430   7.110
   81   HD11  LEU  -3          HD11      LEU  -3   6.130 -10.843   6.789
   82   HD12  LEU  -3          HD12      LEU  -3   5.824  -9.206   7.413
   83   HD13  LEU  -3          HD13      LEU  -3   5.104  -9.725   5.882
   84   HD21  LEU  -3          HD21      LEU  -3   5.042 -10.206   9.580
   85   HD22  LEU  -3          HD22      LEU  -3   5.378 -11.819   8.912
   86   HD23  LEU  -3          HD23      LEU  -3   3.775 -11.453   9.567
   87    H    ARG  -2           H        ARG  -2  -0.096  -9.646   6.846
   88    HA   ARG  -2           HA       ARG  -2  -0.109 -12.348   5.778
   89    HB2  ARG  -2           HB2      ARG  -2  -2.530 -10.655   6.414
   90    HB3  ARG  -2           HB3      ARG  -2  -2.418 -12.412   6.344
   91    HG2  ARG  -2           HG2      ARG  -2  -1.204 -10.551   8.409
   92    HG3  ARG  -2           HG3      ARG  -2  -2.493 -11.716   8.669
   93    HD2  ARG  -2           HD2      ARG  -2  -0.985 -13.581   8.486
   94    HD3  ARG  -2           HD3      ARG  -2   0.308 -12.567   7.825
   95    HE   ARG  -2           HE       ARG  -2  -0.331 -11.496  10.339
   96   HH11  ARG  -2          HH11      ARG  -2   1.403 -14.211   8.898
   97   HH12  ARG  -2          HH12      ARG  -2   2.394 -14.420  10.322
   98   HH21  ARG  -2          HH21      ARG  -2   0.917 -11.875  12.113
   99   HH22  ARG  -2          HH22      ARG  -2   2.153 -13.102  12.084
  100    H    LEU  -1           H        LEU  -1  -0.668  -9.238   4.308
  101    HA   LEU  -1           HA       LEU  -1  -1.929 -10.238   1.883
  102    HB2  LEU  -1           HB2      LEU  -1  -0.237  -7.791   2.508
  103    HB3  LEU  -1           HB3      LEU  -1  -0.807  -8.115   0.907
  104    HG   LEU  -1           HG       LEU  -1  -2.678  -7.748   3.271
  105   HD11  LEU  -1          HD11      LEU  -1  -1.287  -5.778   2.707
  106   HD12  LEU  -1          HD12      LEU  -1  -2.988  -5.508   2.291
  107   HD13  LEU  -1          HD13      LEU  -1  -1.794  -5.897   1.017
  108   HD21  LEU  -1          HD21      LEU  -1  -3.669  -9.038   1.348
  109   HD22  LEU  -1          HD22      LEU  -1  -3.169  -7.750   0.244
  110   HD23  LEU  -1          HD23      LEU  -1  -4.374  -7.419   1.502
  111    H    MET   0           H        MET   0   1.535  -9.547   2.735
  112    HA   MET   0           HA       MET   0   2.361 -10.577   0.170
  113    HB2  MET   0           HB2      MET   0   4.620 -10.313   0.860
  114    HB3  MET   0           HB3      MET   0   3.698  -8.878   1.296
  115    HG2  MET   0           HG2      MET   0   3.727  -9.489   3.630
  116    HG3  MET   0           HG3      MET   0   4.338 -11.103   3.263
  117    HE1  MET   0           HE1      MET   0   5.150  -7.416   3.892
  118    HE2  MET   0           HE2      MET   0   6.810  -7.221   3.285
  119    HE3  MET   0           HE3      MET   0   5.474  -7.424   2.131
  120    H    GLU   1           H        GLU   1   2.026 -12.055   3.393
  121    HA   GLU   1           HA       GLU   1   3.191 -14.606   2.811
  122    HB2  GLU   1           HB2      GLU   1   2.633 -13.740   5.061
  123    HB3  GLU   1           HB3      GLU   1   0.907 -13.858   4.667
  124    HG2  GLU   1           HG2      GLU   1   1.107 -16.301   4.437
  125    HG3  GLU   1           HG3      GLU   1   2.839 -16.199   4.775
  126    H    GLY   2           H        GLY   2  -0.159 -13.381   2.323
  127    HA2  GLY   2           HA2      GLY   2  -1.190 -15.744   1.027
  128    HA3  GLY   2           HA3      GLY   2  -1.855 -14.111   0.959
  129    H    GLY   3           H        GLY   3   1.172 -13.533  -0.063
  130    HA2  GLY   3           HA2      GLY   3   0.737 -13.338  -2.855
  131    HA3  GLY   3           HA3      GLY   3   2.299 -13.318  -2.029
  132    H    GLY   4           H        GLY   4   1.602 -16.187  -0.967
  133    HA2  GLY   4           HA2      GLY   4   2.748 -17.803  -3.056
  134    HA3  GLY   4           HA3      GLY   4   1.887 -18.382  -1.623
  135    H    GLU   5           H        GLU   5  -0.592 -16.857  -2.350
  136    HA   GLU   5           HA       GLU   5  -1.664 -18.525  -4.596
  137    HB2  GLU   5           HB2      GLU   5  -3.097 -16.814  -2.526
  138    HB3  GLU   5           HB3      GLU   5  -3.857 -17.798  -3.786
  139    HG2  GLU   5           HG2      GLU   5  -2.854 -19.842  -2.782
  140    HG3  GLU   5           HG3      GLU   5  -2.152 -18.862  -1.490
  141    H    ASN   6           H        ASN   6  -1.192 -15.225  -3.510
  142    HA   ASN   6           HA       ASN   6  -1.221 -13.207  -4.320
  143    HB2  ASN   6           HB2      ASN   6  -0.199 -12.719  -6.315
  144    HB3  ASN   6           HB3      ASN   6   0.459 -14.264  -5.853
  145   HD21  ASN   6          HD21      ASN   6   1.158 -14.726  -7.978
  146   HD22  ASN   6          HD22      ASN   6  -0.002 -15.088  -9.255
  147    H    LEU   7           H        LEU   7  -3.567 -15.192  -5.994
  148    HA   LEU   7           HA       LEU   7  -5.629 -14.847  -6.749
  149    HB2  LEU   7           HB2      LEU   7  -5.461 -13.603  -4.199
  150    HB3  LEU   7           HB3      LEU   7  -6.483 -12.558  -5.165
  151    HG   LEU   7           HG       LEU   7  -6.891 -15.569  -4.821
  152   HD11  LEU   7          HD11      LEU   7  -8.740 -14.934  -3.313
  153   HD12  LEU   7          HD12      LEU   7  -8.308 -13.220  -3.499
  154   HD13  LEU   7          HD13      LEU   7  -7.187 -14.344  -2.700
  155   HD21  LEU   7          HD21      LEU   7  -9.175 -15.112  -5.691
  156   HD22  LEU   7          HD22      LEU   7  -7.940 -14.725  -6.894
  157   HD23  LEU   7          HD23      LEU   7  -8.722 -13.418  -5.982
  158    H    TYR   8           H        TYR   8  -3.418 -12.987  -7.967
  159    HA   TYR   8           HA       TYR   8  -4.989 -10.837  -9.193
  160    HB2  TYR   8           HB2      TYR   8  -2.366 -12.064 -10.116
  161    HB3  TYR   8           HB3      TYR   8  -3.032 -10.516 -10.605
  162    HD1  TYR   8           HD2      TYR   8  -3.767  -9.146  -8.130
  163    HD2  TYR   8           HD1      TYR   8  -0.372 -11.675  -8.976
  164    HE1  TYR   8           HE2      TYR   8  -2.483  -8.042  -6.313
  165    HE2  TYR   8           HE1      TYR   8   0.905 -10.558  -7.148
  166    HH   TYR   8           HH       TYR   8  -0.546  -8.005  -5.098
  167    H    PHE   9           H        PHE   9  -4.084 -14.167 -10.024
  168    HA   PHE   9           HA       PHE   9  -5.377 -14.080 -12.619
  169    HB2  PHE   9           HB2      PHE   9  -3.524 -15.382 -12.703
  170    HB3  PHE   9           HB3      PHE   9  -3.841 -16.151 -11.161
  171    HD1  PHE   9           HD2      PHE   9  -5.041 -16.020 -14.707
  172    HD2  PHE   9           HD1      PHE   9  -4.952 -18.241 -11.008
  173    HE1  PHE   9           HE2      PHE   9  -6.060 -17.975 -15.853
  174    HE2  PHE   9           HE1      PHE   9  -5.937 -20.205 -12.168
  175    HZ   PHE   9           HZ       PHE   9  -6.509 -20.068 -14.585
  176    H    GLN  10           H        GLN  10  -7.257 -14.842 -13.361
  177    HA   GLN  10           HA       GLN  10  -9.394 -15.322 -11.399
  178    HB2  GLN  10           HB2      GLN  10  -9.414 -15.063 -14.429
  179    HB3  GLN  10           HB3      GLN  10 -10.845 -15.329 -13.417
  180    HG2  GLN  10           HG2      GLN  10 -10.343 -13.219 -12.176
  181    HG3  GLN  10           HG3      GLN  10  -8.984 -12.916 -13.259
  182   HE21  GLN  10          HE21      GLN  10 -10.683 -10.889 -13.225
  183   HE22  GLN  10          HE22      GLN  10 -11.745 -10.906 -14.628
  184    H    GLY  11           H        GLY  11  -8.826 -17.300 -10.487
  185    HA2  GLY  11           HA2      GLY  11  -8.345 -19.733 -11.902
  186    HA3  GLY  11           HA3      GLY  11  -8.848 -19.595 -10.220
  187    H    MET  12           H        MET  12  -9.624 -21.646 -11.978
  188    HA   MET  12           HA       MET  12 -12.143 -21.295 -13.233
  189    HB2  MET  12           HB2      MET  12 -10.860 -23.841 -12.141
  190    HB3  MET  12           HB3      MET  12 -12.216 -23.757 -13.265
  191    HG2  MET  12           HG2      MET  12 -10.416 -24.168 -14.655
  192    HG3  MET  12           HG3      MET  12 -10.688 -22.438 -14.837
  193    HE1  MET  12           HE1      MET  12  -8.112 -23.807 -15.942
  194    HE2  MET  12           HE2      MET  12  -8.378 -22.047 -15.986
  195    HE3  MET  12           HE3      MET  12  -6.839 -22.700 -15.384
  196    H    SER  13           H        SER  13 -11.429 -21.777  -9.874
  197    HA   SER  13           HA       SER  13 -14.295 -21.610  -9.162
  198    HB2  SER  13           HB2      SER  13 -12.411 -23.693  -7.980
  199    HB3  SER  13           HB3      SER  13 -14.039 -23.322  -7.393
  200    HG   SER  13           HG       SER  13 -14.892 -24.062  -9.350
  201    H    VAL  14           H        VAL  14 -14.608 -20.992  -6.903
  202    HA   VAL  14           HA       VAL  14 -12.936 -18.848  -6.082
  203    HB   VAL  14           HB       VAL  14 -14.975 -20.295  -4.378
  204   HG11  VAL  14          HG11      VAL  14 -13.597 -18.677  -3.102
  205   HG12  VAL  14          HG12      VAL  14 -13.995 -17.407  -4.288
  206   HG13  VAL  14          HG13      VAL  14 -15.259 -18.120  -3.266
  207   HG21  VAL  14          HG21      VAL  14 -16.070 -19.666  -6.466
  208   HG22  VAL  14          HG22      VAL  14 -16.585 -18.571  -5.185
  209   HG23  VAL  14          HG23      VAL  14 -15.374 -18.029  -6.369
  210    HA   PRO  15           HA       PRO  15  -9.936 -21.247  -3.700
  211    HB2  PRO  15           HB2      PRO  15  -8.311 -19.274  -2.791
  212    HB3  PRO  15           HB3      PRO  15  -8.462 -19.650  -4.528
  213    HG2  PRO  15           HG2      PRO  15  -9.959 -17.501  -2.982
  214    HG3  PRO  15           HG3      PRO  15  -8.991 -17.310  -4.483
  215    HD2  PRO  15           HD2      PRO  15 -11.700 -17.665  -4.544
  216    HD3  PRO  15           HD3      PRO  15 -10.634 -18.370  -5.793
  217    H    THR  16           H        THR  16 -12.441 -21.134  -2.462
  218    HA   THR  16           HA       THR  16 -12.585 -19.855  -0.006
  219    HB   THR  16           HB       THR  16 -13.935 -22.499  -0.305
  220    HG1  THR  16           HG1      THR  16 -15.462 -21.529  -1.609
  221   HG21  THR  16          HG21      THR  16 -15.818 -21.265   0.699
  222   HG22  THR  16          HG22      THR  16 -14.859 -19.767   0.696
  223   HG23  THR  16          HG23      THR  16 -14.377 -21.142   1.718
  224    H    ASP  17           H        ASP  17 -11.867 -20.064   1.992
  225    HA   ASP  17           HA       ASP  17 -10.455 -20.582   3.600
  226    HB2  ASP  17           HB2      ASP  17 -11.491 -23.360   3.114
  227    HB3  ASP  17           HB3      ASP  17 -10.352 -22.997   4.400
  228    H    GLY  18           H        GLY  18  -9.322 -20.645   0.785
  229    HA2  GLY  18           HA2      GLY  18  -7.142 -20.378   0.086
  230    HA3  GLY  18           HA3      GLY  18  -6.535 -21.006   1.612
  231    H    ALA  19           H        ALA  19  -5.283 -21.666  -0.663
  232    HA   ALA  19           HA       ALA  19  -6.115 -24.217  -1.803
  233    HB1  ALA  19           HB1      ALA  19  -3.457 -22.724  -1.891
  234    HB2  ALA  19           HB2      ALA  19  -3.915 -24.101  -2.914
  235    HB3  ALA  19           HB3      ALA  19  -4.785 -22.563  -3.063
  236    H    VAL  20           H        VAL  20  -4.980 -26.233  -1.590
  237    HA   VAL  20           HA       VAL  20  -4.276 -26.955   1.122
  238    HB   VAL  20           HB       VAL  20  -3.878 -28.636  -1.369
  239   HG11  VAL  20          HG11      VAL  20  -2.694 -29.500   0.623
  240   HG12  VAL  20          HG12      VAL  20  -4.191 -29.379   1.577
  241   HG13  VAL  20          HG13      VAL  20  -4.076 -30.523   0.222
  242   HG21  VAL  20          HG21      VAL  20  -6.238 -27.979  -1.269
  243   HG22  VAL  20          HG22      VAL  20  -6.063 -29.666  -0.785
  244   HG23  VAL  20          HG23      VAL  20  -6.310 -28.416   0.453
  245    H    THR  21           H        THR  21  -2.414 -26.638   2.109
  246    HA   THR  21           HA       THR  21   0.165 -27.074   0.844
  247    HB   THR  21           HB       THR  21  -0.414 -24.764   0.100
  248    HG1  THR  21           HG1      THR  21   1.599 -24.040   0.512
  249   HG21  THR  21          HG21      THR  21  -1.575 -23.962   2.178
  250   HG22  THR  21          HG22      THR  21  -0.262 -22.902   1.648
  251   HG23  THR  21          HG23      THR  21  -0.013 -23.987   3.028
  252    H    THR  22           H        THR  22   1.979 -26.832   2.269
  253    HA   THR  22           HA       THR  22   1.357 -26.688   5.133
  254    HB   THR  22           HB       THR  22   3.552 -28.570   4.540
  255    HG1  THR  22           HG1      THR  22   1.900 -29.345   3.238
  256   HG21  THR  22          HG21      THR  22   1.334 -28.501   6.636
  257   HG22  THR  22          HG22      THR  22   3.006 -27.952   6.884
  258   HG23  THR  22          HG23      THR  22   2.680 -29.661   6.569
  259    H    SER  23           H        SER  23   2.439 -24.834   3.072
  260    HA   SER  23           HA       SER  23   3.862 -23.097   2.937
  261    HB2  SER  23           HB2      SER  23   3.790 -23.318   5.961
  262    HB3  SER  23           HB3      SER  23   4.373 -21.913   5.048
  263    HG   SER  23           HG       SER  23   2.171 -21.698   5.648
  264    H    GLN  24           H        GLN  24   5.191 -25.582   2.557
  265    HA   GLN  24           HA       GLN  24   7.633 -25.826   3.962
  266    HB2  GLN  24           HB2      GLN  24   7.000 -26.687   1.100
  267    HB3  GLN  24           HB3      GLN  24   8.349 -27.234   2.084
  268    HG2  GLN  24           HG2      GLN  24   7.007 -28.977   2.503
  269    HG3  GLN  24           HG3      GLN  24   6.389 -27.951   3.787
  270   HE21  GLN  24          HE21      GLN  24   5.173 -30.184   1.973
  271   HE22  GLN  24          HE22      GLN  24   3.705 -29.434   1.367
  272    H    ILE  25           H        ILE  25   6.878 -23.810   1.170
  273    HA   ILE  25           HA       ILE  25   9.657 -22.743   1.126
  274    HB   ILE  25           HB       ILE  25   7.799 -22.717  -1.229
  275   HG12  ILE  25          HG12      ILE  25   8.174 -25.101  -0.772
  276   HG13  ILE  25          HG13      ILE  25   8.906 -24.578  -2.269
  277   HG21  ILE  25          HG21      ILE  25  10.779 -22.223  -0.969
  278   HG22  ILE  25          HG22      ILE  25   9.936 -22.416  -2.517
  279   HG23  ILE  25          HG23      ILE  25   9.504 -21.078  -1.458
  280   HD11  ILE  25          HD11      ILE  25  10.460 -24.986   0.324
  281   HD12  ILE  25          HD12      ILE  25  10.347 -26.146  -1.011
  282   HD13  ILE  25          HD13      ILE  25  11.143 -24.587  -1.267
  283    HA   PRO  26           HA       PRO  26   7.657 -18.925   2.264
  284    HB2  PRO  26           HB2      PRO  26   9.840 -17.527   0.726
  285    HB3  PRO  26           HB3      PRO  26   9.283 -17.248   2.406
  286    HG2  PRO  26           HG2      PRO  26  11.565 -18.623   1.956
  287    HG3  PRO  26           HG3      PRO  26  10.393 -19.240   3.171
  288    HD2  PRO  26           HD2      PRO  26  10.703 -20.080   0.269
  289    HD3  PRO  26           HD3      PRO  26  10.630 -21.113   1.723
  290    H    ALA  27           H        ALA  27   6.499 -17.071   1.498
  291    HA   ALA  27           HA       ALA  27   5.198 -17.384  -1.039
  292    HB1  ALA  27           HB1      ALA  27   4.107 -16.576   1.021
  293    HB2  ALA  27           HB2      ALA  27   5.117 -15.109   0.990
  294    HB3  ALA  27           HB3      ALA  27   3.936 -15.408  -0.300
  295    H    SER  28           H        SER  28   8.199 -15.963  -0.464
  296    HA   SER  28           HA       SER  28   8.102 -13.652  -2.166
  297    HB2  SER  28           HB2      SER  28  10.449 -15.286  -1.143
  298    HB3  SER  28           HB3      SER  28  10.592 -13.758  -2.031
  299    HG   SER  28           HG       SER  28   9.379 -14.193   0.501
  300    H    GLU  29           H        GLU  29   7.735 -16.763  -3.221
  301    HA   GLU  29           HA       GLU  29   9.311 -16.928  -5.592
  302    HB2  GLU  29           HB2      GLU  29   6.583 -18.046  -4.840
  303    HB3  GLU  29           HB3      GLU  29   7.385 -18.402  -6.377
  304    HG2  GLU  29           HG2      GLU  29   9.377 -19.247  -5.109
  305    HG3  GLU  29           HG3      GLU  29   8.445 -19.090  -3.617
  306    H    GLN  30           H        GLN  30   6.839 -14.662  -4.943
  307    HA   GLN  30           HA       GLN  30   5.966 -14.181  -7.682
  308    HB2  GLN  30           HB2      GLN  30   5.730 -12.412  -5.212
  309    HB3  GLN  30           HB3      GLN  30   4.856 -12.223  -6.736
  310    HG2  GLN  30           HG2      GLN  30   4.542 -14.448  -4.689
  311    HG3  GLN  30           HG3      GLN  30   3.371 -13.214  -5.126
  312   HE21  GLN  30          HE22      GLN  30   4.276 -16.449  -5.709
  313   HE22  GLN  30          HE21      GLN  30   3.393 -16.667  -7.210
  314    H    GLU  31           H        GLU  31   8.531 -14.348  -8.033
  315    HA   GLU  31           HA       GLU  31  10.153 -12.016  -7.623
  316    HB2  GLU  31           HB2      GLU  31  10.411 -14.410  -9.479
  317    HB3  GLU  31           HB3      GLU  31  11.692 -13.235  -9.251
  318    HG2  GLU  31           HG2      GLU  31  10.529 -14.928  -6.997
  319    HG3  GLU  31           HG3      GLU  31  11.920 -15.380  -7.967
  320    H    THR  32           H        THR  32   7.761 -12.567 -10.067
  321    HA   THR  32           HA       THR  32   8.945 -11.296 -12.238
  322    HB   THR  32           HB       THR  32   6.004 -11.024 -11.950
  323    HG1  THR  32           HG1      THR  32   5.764 -13.198 -12.456
  324   HG21  THR  32          HG21      THR  32   7.815 -11.982 -14.206
  325   HG22  THR  32          HG22      THR  32   7.086 -10.365 -14.063
  326   HG23  THR  32          HG23      THR  32   6.051 -11.779 -14.296
  327    H    LEU  33           H        LEU  33   9.282  -9.332 -13.007
  328    HA   LEU  33           HA       LEU  33   8.862  -7.031 -11.248
  329    HB2  LEU  33           HB2      LEU  33  10.113  -7.331 -14.004
  330    HB3  LEU  33           HB3      LEU  33   9.985  -5.794 -13.165
  331    HG   LEU  33           HG       LEU  33  11.573  -8.189 -12.158
  332   HD11  LEU  33          HD11      LEU  33  12.388  -5.538 -13.439
  333   HD12  LEU  33          HD12      LEU  33  12.542  -7.152 -14.161
  334   HD13  LEU  33          HD13      LEU  33  13.513  -6.731 -12.742
  335   HD21  LEU  33          HD21      LEU  33  10.803  -6.784 -10.272
  336   HD22  LEU  33          HD22      LEU  33  11.390  -5.325 -11.103
  337   HD23  LEU  33          HD23      LEU  33  12.531  -6.568 -10.548
  338    H    VAL  34           H        VAL  34   7.752  -5.238 -11.607
  339    HA   VAL  34           HA       VAL  34   6.096  -4.870 -14.026
  340    HB   VAL  34           HB       VAL  34   4.191  -4.156 -12.914
  341   HG11  VAL  34          HG11      VAL  34   4.499  -6.616 -12.885
  342   HG12  VAL  34          HG12      VAL  34   5.089  -6.478 -11.200
  343   HG13  VAL  34          HG13      VAL  34   3.430  -5.994 -11.614
  344   HG21  VAL  34          HG21      VAL  34   4.150  -4.199 -10.275
  345   HG22  VAL  34          HG22      VAL  34   5.878  -3.932 -10.420
  346   HG23  VAL  34          HG23      VAL  34   4.727  -2.779 -11.141
  347    H    ARG  35           H        ARG  35   5.527  -2.670 -14.470
  348    HA   ARG  35           HA       ARG  35   7.307  -0.650 -13.166
  349    HB2  ARG  35           HB2      ARG  35   7.794  -1.187 -15.601
  350    HB3  ARG  35           HB3      ARG  35   6.288  -0.383 -16.006
  351    HG2  ARG  35           HG2      ARG  35   7.926   1.259 -14.157
  352    HG3  ARG  35           HG3      ARG  35   8.864   0.741 -15.547
  353    HD2  ARG  35           HD2      ARG  35   7.945   2.861 -16.076
  354    HD3  ARG  35           HD3      ARG  35   7.113   1.653 -17.060
  355    HE   ARG  35           HE       ARG  35   5.897   2.624 -14.489
  356   HH11  ARG  35          HH11      ARG  35   5.609   2.557 -17.989
  357   HH12  ARG  35          HH12      ARG  35   3.962   3.122 -17.935
  358   HH21  ARG  35          HH21      ARG  35   3.860   3.240 -14.491
  359   HH22  ARG  35          HH22      ARG  35   2.982   3.521 -15.987
  360    HA   PRO  36           HA       PRO  36   2.978   0.120 -11.936
  361    HB2  PRO  36           HB2      PRO  36   3.486   1.460  -9.594
  362    HB3  PRO  36           HB3      PRO  36   3.552  -0.318  -9.768
  363    HG2  PRO  36           HG2      PRO  36   5.840   1.658  -9.828
  364    HG3  PRO  36           HG3      PRO  36   5.718   0.100  -8.936
  365    HD2  PRO  36           HD2      PRO  36   7.012   0.304 -11.319
  366    HD3  PRO  36           HD3      PRO  36   6.069  -1.159 -10.898
  367    H    LYS  37           H        LYS  37   1.683   2.101 -11.272
  368    HA   LYS  37           HA       LYS  37   2.083   4.310 -13.044
  369    HB2  LYS  37           HB2      LYS  37   0.197   5.348 -11.945
  370    HB3  LYS  37           HB3      LYS  37  -0.125   3.648 -12.236
  371    HG2  LYS  37           HG2      LYS  37   0.074   3.111  -9.894
  372    HG3  LYS  37           HG3      LYS  37   0.821   4.665  -9.530
  373    HD2  LYS  37           HD2      LYS  37  -1.437   4.740  -8.750
  374    HD3  LYS  37           HD3      LYS  37  -1.262   5.853 -10.107
  375    HE2  LYS  37           HE2      LYS  37  -2.302   4.078 -11.588
  376    HE3  LYS  37           HE3      LYS  37  -2.553   3.093 -10.136
  377    HZ1  LYS  37           HZ1      LYS  37  -3.730   5.782 -10.588
  378    HZ2  LYS  37           HZ2      LYS  37  -3.949   4.882  -9.240
  379    HZ3  LYS  37           HZ3      LYS  37  -4.537   4.370 -10.672
  380    HA   PRO  38           HA       PRO  38   5.064   6.823 -11.122
  381    HB2  PRO  38           HB2      PRO  38   4.271   9.426 -11.632
  382    HB3  PRO  38           HB3      PRO  38   4.954   8.305 -12.848
  383    HG2  PRO  38           HG2      PRO  38   2.027   8.877 -12.285
  384    HG3  PRO  38           HG3      PRO  38   2.868   8.857 -13.871
  385    HD2  PRO  38           HD2      PRO  38   1.479   6.715 -13.046
  386    HD3  PRO  38           HD3      PRO  38   3.067   6.486 -13.831
  387    H    LEU  39           H        LEU  39   1.734   7.575 -10.068
  388    HA   LEU  39           HA       LEU  39   2.389   8.966  -7.639
  389    HB2  LEU  39           HB2      LEU  39   0.079   7.103  -8.338
  390    HB3  LEU  39           HB3      LEU  39   0.155   8.064  -6.870
  391    HG   LEU  39           HG       LEU  39   0.063   9.222  -9.688
  392   HD11  LEU  39          HD11      LEU  39  -2.255   9.851  -9.027
  393   HD12  LEU  39          HD12      LEU  39  -2.046   8.946  -7.507
  394   HD13  LEU  39          HD13      LEU  39  -2.025   8.095  -9.064
  395   HD21  LEU  39          HD21      LEU  39   1.178  10.769  -8.123
  396   HD22  LEU  39          HD22      LEU  39  -0.141  10.555  -6.947
  397   HD23  LEU  39          HD23      LEU  39  -0.442  11.353  -8.506
  398    H    LEU  40           H        LEU  40   2.370   5.490  -8.426
  399    HA   LEU  40           HA       LEU  40   2.706   4.703  -5.637
  400    HB2  LEU  40           HB2      LEU  40   1.521   3.306  -7.317
  401    HB3  LEU  40           HB3      LEU  40   3.016   3.106  -8.201
  402    HG   LEU  40           HG       LEU  40   4.009   1.780  -6.468
  403   HD11  LEU  40          HD11      LEU  40   3.293   2.895  -4.417
  404   HD12  LEU  40          HD12      LEU  40   2.766   1.216  -4.352
  405   HD13  LEU  40          HD13      LEU  40   1.591   2.492  -4.745
  406   HD21  LEU  40          HD21      LEU  40   1.079   0.965  -6.611
  407   HD22  LEU  40          HD22      LEU  40   2.475  -0.093  -6.373
  408   HD23  LEU  40          HD23      LEU  40   2.226   0.700  -7.928
  409    H    LEU  41           H        LEU  41   4.824   4.973  -8.528
  410    HA   LEU  41           HA       LEU  41   7.250   4.283  -7.223
  411    HB2  LEU  41           HB2      LEU  41   7.073   4.484  -9.624
  412    HB3  LEU  41           HB3      LEU  41   6.687   6.201  -9.503
  413    HG   LEU  41           HG       LEU  41   8.905   6.716  -8.669
  414   HD11  LEU  41          HD11      LEU  41   9.529   4.696  -7.425
  415   HD12  LEU  41          HD12      LEU  41  10.719   4.954  -8.700
  416   HD13  LEU  41          HD13      LEU  41   9.452   3.728  -8.918
  417   HD21  LEU  41          HD21      LEU  41  10.189   6.197 -10.703
  418   HD22  LEU  41          HD22      LEU  41   8.522   6.652 -11.100
  419   HD23  LEU  41          HD23      LEU  41   9.009   4.942 -11.140
  420    H    LYS  42           H        LYS  42   5.659   7.510  -7.383
  421    HA   LYS  42           HA       LYS  42   7.487   8.939  -5.719
  422    HB2  LYS  42           HB2      LYS  42   5.696   9.979  -7.043
  423    HB3  LYS  42           HB3      LYS  42   4.469   9.178  -6.065
  424    HG2  LYS  42           HG2      LYS  42   5.356  10.460  -4.044
  425    HG3  LYS  42           HG3      LYS  42   6.358  11.384  -5.164
  426    HD2  LYS  42           HD2      LYS  42   3.314  11.147  -5.152
  427    HD3  LYS  42           HD3      LYS  42   4.228  12.531  -4.572
  428    HE2  LYS  42           HE2      LYS  42   4.133  11.545  -7.461
  429    HE3  LYS  42           HE3      LYS  42   3.179  12.873  -6.798
  430    HZ1  LYS  42           HZ1      LYS  42   5.152  13.719  -7.907
  431    HZ2  LYS  42           HZ2      LYS  42   6.151  12.844  -6.960
  432    HZ3  LYS  42           HZ3      LYS  42   5.258  14.056  -6.317
  433    H    LEU  43           H        LEU  43   4.725   6.856  -4.752
  434    HA   LEU  43           HA       LEU  43   4.938   7.416  -1.938
  435    HB2  LEU  43           HB2      LEU  43   2.924   6.643  -3.077
  436    HB3  LEU  43           HB3      LEU  43   3.657   5.091  -3.437
  437    HG   LEU  43           HG       LEU  43   3.424   6.032  -0.570
  438   HD11  LEU  43          HD11      LEU  43   1.191   6.297  -1.553
  439   HD12  LEU  43          HD12      LEU  43   1.227   4.926  -0.440
  440   HD13  LEU  43          HD13      LEU  43   1.261   4.638  -2.193
  441   HD21  LEU  43          HD21      LEU  43   4.703   3.934  -0.907
  442   HD22  LEU  43          HD22      LEU  43   3.374   3.265  -1.874
  443   HD23  LEU  43          HD23      LEU  43   3.168   3.594  -0.139
  444    H    LEU  44           H        LEU  44   6.294   4.808  -3.996
  445    HA   LEU  44           HA       LEU  44   7.621   3.364  -1.888
  446    HB2  LEU  44           HB2      LEU  44   8.266   3.595  -4.858
  447    HB3  LEU  44           HB3      LEU  44   8.899   2.361  -3.779
  448    HG   LEU  44           HG       LEU  44   5.919   2.645  -4.345
  449   HD11  LEU  44          HD11      LEU  44   7.958   0.813  -5.669
  450   HD12  LEU  44          HD12      LEU  44   7.119   2.166  -6.455
  451   HD13  LEU  44          HD13      LEU  44   6.198   0.760  -5.906
  452   HD21  LEU  44          HD21      LEU  44   7.507   0.319  -3.302
  453   HD22  LEU  44          HD22      LEU  44   5.748   0.389  -3.552
  454   HD23  LEU  44          HD23      LEU  44   6.480   1.403  -2.309
  455    H    LYS  45           H        LYS  45   8.719   6.008  -4.054
  456    HA   LYS  45           HA       LYS  45  11.360   6.239  -2.897
  457    HB2  LYS  45           HB2      LYS  45   9.685   8.103  -4.595
  458    HB3  LYS  45           HB3      LYS  45  11.361   8.439  -4.128
  459    HG2  LYS  45           HG2      LYS  45  12.190   6.463  -5.251
  460    HG3  LYS  45           HG3      LYS  45  10.566   5.852  -5.531
  461    HD2  LYS  45           HD2      LYS  45  11.125   6.725  -7.579
  462    HD3  LYS  45           HD3      LYS  45  10.150   8.030  -6.875
  463    HE2  LYS  45           HE2      LYS  45  12.396   9.022  -6.127
  464    HE3  LYS  45           HE3      LYS  45  13.154   7.720  -7.088
  465    HZ1  LYS  45           HZ1      LYS  45  12.988   9.794  -8.363
  466    HZ2  LYS  45           HZ2      LYS  45  11.368   9.830  -8.192
  467    HZ3  LYS  45           HZ3      LYS  45  12.076   8.641  -9.064
  468    H    SER  46           H        SER  46   8.288   7.577  -1.848
  469    HA   SER  46           HA       SER  46   9.342   9.523  -0.010
  470    HB2  SER  46           HB2      SER  46   6.776   7.897   0.157
  471    HB3  SER  46           HB3      SER  46   7.187   9.279   1.176
  472    HG   SER  46           HG       SER  46   6.982   9.308  -1.668
  473    H    VAL  47           H        VAL  47   9.322   6.043   0.125
  474    HA   VAL  47           HA       VAL  47  10.627   6.160   2.808
  475    HB   VAL  47           HB       VAL  47  10.075   3.878   3.215
  476   HG11  VAL  47          HG11      VAL  47   7.706   4.092   3.573
  477   HG12  VAL  47          HG12      VAL  47   8.475   5.658   3.877
  478   HG13  VAL  47          HG13      VAL  47   7.579   5.387   2.366
  479   HG21  VAL  47          HG21      VAL  47  10.004   3.042   0.846
  480   HG22  VAL  47          HG22      VAL  47   8.613   2.546   1.827
  481   HG23  VAL  47          HG23      VAL  47   8.440   3.856   0.648
  482    H    GLY  48           H        GLY  48  11.675   6.524  -0.076
  483    HA2  GLY  48           HA2      GLY  48  13.866   6.580  -0.711
  484    HA3  GLY  48           HA3      GLY  48  14.303   5.576   0.669
  485    H    ALA  49           H        ALA  49  11.974   4.523  -1.892
  486    HA   ALA  49           HA       ALA  49  13.521   2.117  -2.317
  487    HB1  ALA  49           HB1      ALA  49  11.035   2.304  -2.357
  488    HB2  ALA  49           HB2      ALA  49  11.171   3.232  -3.876
  489    HB3  ALA  49           HB3      ALA  49  11.720   1.535  -3.789
  490    H    GLN  50           H        GLN  50  14.867   1.571  -4.006
  491    HA   GLN  50           HA       GLN  50  16.051   3.890  -5.427
  492    HB2  GLN  50           HB2      GLN  50  17.132   1.124  -4.773
  493    HB3  GLN  50           HB3      GLN  50  18.051   2.414  -5.543
  494    HG2  GLN  50           HG2      GLN  50  16.880   2.505  -2.729
  495    HG3  GLN  50           HG3      GLN  50  18.566   2.261  -3.148
  496   HE21  GLN  50          HE21      GLN  50  16.608   4.582  -1.932
  497   HE22  GLN  50          HE22      GLN  50  17.456   5.998  -2.558
  498    H    LYS  51           H        LYS  51  14.081   1.293  -6.415
  499    HA   LYS  51           HA       LYS  51  15.539   0.762  -8.943
  500    HB2  LYS  51           HB2      LYS  51  12.938  -0.509  -8.079
  501    HB3  LYS  51           HB3      LYS  51  14.133  -1.118  -9.213
  502    HG2  LYS  51           HG2      LYS  51  15.709  -1.548  -7.340
  503    HG3  LYS  51           HG3      LYS  51  14.532  -0.881  -6.198
  504    HD2  LYS  51           HD2      LYS  51  14.250  -3.198  -6.027
  505    HD3  LYS  51           HD3      LYS  51  12.876  -2.624  -6.992
  506    HE2  LYS  51           HE2      LYS  51  13.976  -3.360  -9.056
  507    HE3  LYS  51           HE3      LYS  51  15.412  -3.863  -8.144
  508    HZ1  LYS  51           HZ1      LYS  51  12.692  -4.991  -7.703
  509    HZ2  LYS  51           HZ2      LYS  51  14.007  -5.487  -6.970
  510    HZ3  LYS  51           HZ3      LYS  51  13.875  -5.738  -8.593
  511    H    ASP  52           H        ASP  52  14.426   0.636 -10.973
  512    HA   ASP  52           HA       ASP  52  12.219   2.571 -11.348
  513    HB2  ASP  52           HB2      ASP  52  12.789   2.436 -13.783
  514    HB3  ASP  52           HB3      ASP  52  13.901   3.257 -12.707
  515    H    THR  53           H        THR  53  12.484  -0.675 -10.853
  516    HA   THR  53           HA       THR  53   9.763  -1.246 -11.861
  517    HB   THR  53           HB       THR  53  10.734  -3.552 -12.611
  518    HG1  THR  53           HG1      THR  53  12.821  -3.320 -13.602
  519   HG21  THR  53          HG21      THR  53  10.998  -2.910 -14.900
  520   HG22  THR  53          HG22      THR  53  11.286  -1.205 -14.453
  521   HG23  THR  53          HG23      THR  53   9.694  -1.944 -14.178
  522    H    TYR  54           H        TYR  54   8.888  -2.999 -10.670
  523    HA   TYR  54           HA       TYR  54  10.430  -3.929  -8.296
  524    HB2  TYR  54           HB2      TYR  54   7.789  -2.442  -8.227
  525    HB3  TYR  54           HB3      TYR  54   8.487  -3.311  -6.868
  526    HD1  TYR  54           HD1      TYR  54   8.809  -0.329  -9.014
  527    HD2  TYR  54           HD2      TYR  54  10.407  -2.468  -5.626
  528    HE1  TYR  54           HE1      TYR  54  10.181   1.655  -8.407
  529    HE2  TYR  54           HE2      TYR  54  11.740  -0.459  -4.993
  530    HH   TYR  54           HH       TYR  54  11.912   2.398  -7.112
  531    H    THR  55           H        THR  55   9.682  -5.786  -7.226
  532    HA   THR  55           HA       THR  55   7.754  -7.424  -8.738
  533    HB   THR  55           HB       THR  55   8.238  -9.267  -7.631
  534    HG1  THR  55           HG1      THR  55   9.070  -9.347  -5.547
  535   HG21  THR  55          HG21      THR  55  10.851  -7.794  -7.151
  536   HG22  THR  55          HG22      THR  55  10.342  -8.507  -8.696
  537   HG23  THR  55          HG23      THR  55  10.616  -9.544  -7.288
  538    H    MET  56           H        MET  56   5.740  -8.329  -7.828
  539    HA   MET  56           HA       MET  56   4.180  -6.325  -6.537
  540    HB2  MET  56           HB2      MET  56   3.698  -9.331  -6.678
  541    HB3  MET  56           HB3      MET  56   2.514  -8.122  -6.184
  542    HG2  MET  56           HG2      MET  56   3.776  -8.393  -8.927
  543    HG3  MET  56           HG3      MET  56   2.133  -8.740  -8.502
  544    HE1  MET  56           HE1      MET  56   0.927  -6.558  -7.047
  545    HE2  MET  56           HE2      MET  56   0.344  -5.530  -8.393
  546    HE3  MET  56           HE3      MET  56   0.393  -7.315  -8.562
  547    H    LYS  57           H        LYS  57   6.112  -8.939  -5.106
  548    HA   LYS  57           HA       LYS  57   5.158  -8.458  -2.393
  549    HB2  LYS  57           HB2      LYS  57   5.976 -10.640  -3.246
  550    HB3  LYS  57           HB3      LYS  57   7.609  -9.990  -3.360
  551    HG2  LYS  57           HG2      LYS  57   6.222  -9.665  -0.710
  552    HG3  LYS  57           HG3      LYS  57   6.558 -11.323  -1.209
  553    HD2  LYS  57           HD2      LYS  57   8.944 -10.805  -1.479
  554    HD3  LYS  57           HD3      LYS  57   8.658  -9.125  -0.961
  555    HE2  LYS  57           HE2      LYS  57   8.042  -9.774   1.236
  556    HE3  LYS  57           HE3      LYS  57   7.781 -11.459   0.765
  557    HZ1  LYS  57           HZ1      LYS  57  10.459 -10.179   0.766
  558    HZ2  LYS  57           HZ2      LYS  57  10.112 -11.765   0.481
  559    HZ3  LYS  57           HZ3      LYS  57   9.889 -11.133   1.967
  560    H    GLU  58           H        GLU  58   7.942  -7.268  -4.308
  561    HA   GLU  58           HA       GLU  58   9.163  -5.737  -2.178
  562    HB2  GLU  58           HB2      GLU  58   9.111  -5.391  -5.188
  563    HB3  GLU  58           HB3      GLU  58   9.950  -4.274  -4.116
  564    HG2  GLU  58           HG2      GLU  58  11.398  -6.034  -3.278
  565    HG3  GLU  58           HG3      GLU  58  10.565  -7.243  -4.260
  566    H    VAL  59           H        VAL  59   6.616  -4.870  -4.577
  567    HA   VAL  59           HA       VAL  59   6.222  -2.191  -3.638
  568    HB   VAL  59           HB       VAL  59   4.212  -4.055  -4.965
  569   HG11  VAL  59          HG11      VAL  59   4.124  -1.021  -4.723
  570   HG12  VAL  59          HG12      VAL  59   2.939  -2.091  -5.517
  571   HG13  VAL  59          HG13      VAL  59   3.130  -2.130  -3.766
  572   HG21  VAL  59          HG21      VAL  59   5.952  -1.821  -6.124
  573   HG22  VAL  59          HG22      VAL  59   6.181  -3.548  -6.412
  574   HG23  VAL  59          HG23      VAL  59   4.728  -2.756  -7.014
  575    H    LEU  60           H        LEU  60   4.394  -5.216  -2.738
  576    HA   LEU  60           HA       LEU  60   2.854  -4.060  -0.676
  577    HB2  LEU  60           HB2      LEU  60   4.044  -6.840  -0.998
  578    HB3  LEU  60           HB3      LEU  60   3.031  -6.424   0.374
  579    HG   LEU  60           HG       LEU  60   2.094  -6.239  -2.521
  580   HD11  LEU  60          HD11      LEU  60   1.556  -8.326  -0.361
  581   HD12  LEU  60          HD12      LEU  60   2.564  -8.567  -1.805
  582   HD13  LEU  60          HD13      LEU  60   0.826  -8.288  -1.982
  583   HD21  LEU  60          HD21      LEU  60   0.803  -4.737  -1.085
  584   HD22  LEU  60          HD22      LEU  60   0.611  -6.014   0.136
  585   HD23  LEU  60          HD23      LEU  60  -0.167  -6.159  -1.455
  586    H    PHE  61           H        PHE  61   6.199  -5.413  -0.371
  587    HA   PHE  61           HA       PHE  61   6.495  -4.839   2.368
  588    HB2  PHE  61           HB2      PHE  61   8.067  -6.280   1.518
  589    HB3  PHE  61           HB3      PHE  61   8.435  -5.252   0.148
  590    HD1  PHE  61           HD1      PHE  61   8.969  -5.636   3.813
  591    HD2  PHE  61           HD2      PHE  61  10.109  -3.531   0.222
  592    HE1  PHE  61           HE1      PHE  61  10.897  -4.628   5.011
  593    HE2  PHE  61           HE2      PHE  61  12.035  -2.531   1.422
  594    HZ   PHE  61           HZ       PHE  61  12.432  -3.073   3.819
  595    H    TYR  62           H        TYR  62   7.551  -2.689  -0.272
  596    HA   TYR  62           HA       TYR  62   8.239  -0.557   1.495
  597    HB2  TYR  62           HB2      TYR  62   7.778  -0.732  -1.441
  598    HB3  TYR  62           HB3      TYR  62   8.084   0.822  -0.667
  599    HD1  TYR  62           HD2      TYR  62  10.216   0.732   1.059
  600    HD2  TYR  62           HD1      TYR  62   9.645  -1.660  -2.485
  601    HE1  TYR  62           HE2      TYR  62  12.680   0.560   0.782
  602    HE2  TYR  62           HE1      TYR  62  12.115  -1.852  -2.747
  603    HH   TYR  62           HH       TYR  62  14.402  -0.316  -0.456
  604    H    LEU  63           H        LEU  63   5.167  -1.125  -0.219
  605    HA   LEU  63           HA       LEU  63   3.886   1.307   0.549
  606    HB2  LEU  63           HB2      LEU  63   3.122  -0.098  -1.283
  607    HB3  LEU  63           HB3      LEU  63   2.873  -1.462  -0.190
  608    HG   LEU  63           HG       LEU  63   1.008  -0.343   0.902
  609   HD11  LEU  63          HD11      LEU  63   1.631   2.018   0.702
  610   HD12  LEU  63          HD12      LEU  63   0.079   1.746  -0.095
  611   HD13  LEU  63          HD13      LEU  63   1.542   1.913  -1.076
  612   HD21  LEU  63          HD21      LEU  63   0.647  -1.688  -1.177
  613   HD22  LEU  63          HD22      LEU  63   0.775  -0.199  -2.133
  614   HD23  LEU  63          HD23      LEU  63  -0.552  -0.409  -0.973
  615    H    GLY  64           H        GLY  64   4.026  -1.924   2.125
  616    HA2  GLY  64           HA2      GLY  64   2.412  -1.337   4.399
  617    HA3  GLY  64           HA3      GLY  64   3.716  -2.532   4.313
  618    H    GLN  65           H        GLN  65   6.030  -0.933   3.917
  619    HA   GLN  65           HA       GLN  65   6.564   0.161   6.466
  620    HB2  GLN  65           HB2      GLN  65   8.282  -0.842   5.262
  621    HB3  GLN  65           HB3      GLN  65   7.768  -0.146   3.738
  622    HG2  GLN  65           HG2      GLN  65   9.726   0.796   4.120
  623    HG3  GLN  65           HG3      GLN  65   8.579   2.073   4.474
  624   HE21  GLN  65          HE21      GLN  65   8.041   2.299   6.975
  625   HE22  GLN  65          HE22      GLN  65   9.362   1.942   8.087
  626    H    TYR  66           H        TYR  66   5.393   1.680   3.421
  627    HA   TYR  66           HA       TYR  66   5.651   4.378   4.381
  628    HB2  TYR  66           HB2      TYR  66   5.574   4.033   2.042
  629    HB3  TYR  66           HB3      TYR  66   4.057   3.175   2.143
  630    HD1  TYR  66           HD1      TYR  66   1.889   4.383   2.591
  631    HD2  TYR  66           HD2      TYR  66   5.625   6.451   1.971
  632    HE1  TYR  66           HE1      TYR  66   0.653   6.495   2.136
  633    HE2  TYR  66           HE2      TYR  66   4.381   8.546   1.484
  634    HH   TYR  66           HH       TYR  66   0.821   8.766   1.742
  635    H    ILE  67           H        ILE  67   2.784   2.263   4.248
  636    HA   ILE  67           HA       ILE  67   1.000   4.016   5.608
  637    HB   ILE  67           HB       ILE  67   1.087   0.978   5.473
  638   HG12  ILE  67          HG12      ILE  67  -0.725   2.793   3.848
  639   HG13  ILE  67          HG13      ILE  67   0.884   2.387   3.273
  640   HG21  ILE  67          HG21      ILE  67  -0.386   1.605   7.316
  641   HG22  ILE  67          HG22      ILE  67  -1.164   2.849   6.318
  642   HG23  ILE  67          HG23      ILE  67  -1.401   1.142   5.956
  643   HD11  ILE  67          HD11      ILE  67  -0.728   0.891   2.268
  644   HD12  ILE  67          HD12      ILE  67   0.357  -0.021   3.332
  645   HD13  ILE  67          HD13      ILE  67  -1.303   0.357   3.852
  646    H    MET  68           H        MET  68   3.239   1.565   6.890
  647    HA   MET  68           HA       MET  68   2.651   1.800   9.658
  648    HB2  MET  68           HB2      MET  68   3.956  -0.031   8.655
  649    HB3  MET  68           HB3      MET  68   5.219   1.111   8.196
  650    HG2  MET  68           HG2      MET  68   5.197   1.571  10.864
  651    HG3  MET  68           HG3      MET  68   4.593  -0.081  10.852
  652    HE1  MET  68           HE1      MET  68   6.143  -1.383   8.349
  653    HE2  MET  68           HE2      MET  68   7.601  -2.009   9.142
  654    HE3  MET  68           HE3      MET  68   6.024  -2.175   9.939
  655    H    THR  69           H        THR  69   5.339   3.428   7.813
  656    HA   THR  69           HA       THR  69   6.085   4.981  10.089
  657    HB   THR  69           HB       THR  69   7.547   4.295   8.141
  658    HG1  THR  69           HG1      THR  69   8.877   6.033   8.587
  659   HG21  THR  69          HG21      THR  69   6.232   5.429   6.317
  660   HG22  THR  69          HG22      THR  69   7.926   5.923   6.389
  661   HG23  THR  69          HG23      THR  69   6.665   7.000   7.022
  662    H    LYS  70           H        LYS  70   3.950   5.787   7.432
  663    HA   LYS  70           HA       LYS  70   3.428   8.537   8.251
  664    HB2  LYS  70           HB2      LYS  70   1.971   6.563   6.460
  665    HB3  LYS  70           HB3      LYS  70   1.512   8.246   6.624
  666    HG2  LYS  70           HG2      LYS  70   4.356   7.583   5.794
  667    HG3  LYS  70           HG3      LYS  70   3.059   7.356   4.641
  668    HD2  LYS  70           HD2      LYS  70   3.656  10.002   6.029
  669    HD3  LYS  70           HD3      LYS  70   4.185   9.525   4.403
  670    HE2  LYS  70           HE2      LYS  70   1.669   9.034   3.950
  671    HE3  LYS  70           HE3      LYS  70   1.347  10.005   5.387
  672    HZ1  LYS  70           HZ1      LYS  70   2.823  10.935   2.984
  673    HZ2  LYS  70           HZ2      LYS  70   2.454  11.872   4.289
  674    HZ3  LYS  70           HZ3      LYS  70   1.268  11.267   3.313
  675    H    ARG  71           H        ARG  71   2.417   5.537   9.520
  676    HA   ARG  71           HA       ARG  71   0.821   4.801  10.936
  677    HB2  ARG  71           HB2      ARG  71   1.160   7.589  12.082
  678    HB3  ARG  71           HB3      ARG  71   0.354   6.245  12.903
  679    HG2  ARG  71           HG2      ARG  71   2.411   4.890  12.795
  680    HG3  ARG  71           HG3      ARG  71   3.270   6.218  12.005
  681    HD2  ARG  71           HD2      ARG  71   1.991   6.358  14.757
  682    HD3  ARG  71           HD3      ARG  71   3.703   6.036  14.459
  683    HE   ARG  71           HE       ARG  71   3.586   8.324  13.174
  684   HH11  ARG  71          HH12      ARG  71   2.053   7.685  16.262
  685   HH12  ARG  71          HH11      ARG  71   2.092   9.364  16.727
  686   HH21  ARG  71          HH21      ARG  71   3.591  10.440  13.827
  687   HH22  ARG  71          HH22      ARG  71   2.952  10.874  15.385
  688    H    LEU  72           H        LEU  72  -0.318   5.202   8.629
  689    HA   LEU  72           HA       LEU  72  -2.717   6.873   8.789
  690    HB2  LEU  72           HB2      LEU  72  -1.978   4.780   6.728
  691    HB3  LEU  72           HB3      LEU  72  -3.207   6.020   6.551
  692    HG   LEU  72           HG       LEU  72  -0.225   6.540   6.834
  693   HD11  LEU  72          HD11      LEU  72  -0.731   5.450   4.715
  694   HD12  LEU  72          HD12      LEU  72  -0.300   7.144   4.453
  695   HD13  LEU  72          HD13      LEU  72  -2.003   6.651   4.378
  696   HD21  LEU  72          HD21      LEU  72  -2.538   8.406   6.187
  697   HD22  LEU  72          HD22      LEU  72  -0.816   8.835   6.071
  698   HD23  LEU  72          HD23      LEU  72  -1.517   8.439   7.647
  699    H    TYR  73           H        TYR  73  -2.106   3.910  10.178
  700    HA   TYR  73           HA       TYR  73  -4.668   2.659   9.744
  701    HB2  TYR  73           HB2      TYR  73  -4.000   1.140  11.612
  702    HB3  TYR  73           HB3      TYR  73  -3.026   1.145  10.157
  703    HD1  TYR  73           HD2      TYR  73  -0.707   2.068  10.133
  704    HD2  TYR  73           HD1      TYR  73  -3.086   1.922  13.734
  705    HE1  TYR  73           HE2      TYR  73   1.344   2.420  11.516
  706    HE2  TYR  73           HE1      TYR  73  -1.040   2.264  15.104
  707    HH   TYR  73           HH       TYR  73   1.228   2.616  15.086
  708    H    ASP  74           H        ASP  74  -6.431   2.352  11.124
  709    HA   ASP  74           HA       ASP  74  -7.144   4.566  12.820
  710    HB2  ASP  74           HB2      ASP  74  -8.868   3.562  11.658
  711    HB3  ASP  74           HB3      ASP  74  -8.414   1.949  12.133
  712    H    GLU  75           H        GLU  75  -7.086   4.892  14.981
  713    HA   GLU  75           HA       GLU  75  -5.282   3.321  16.613
  714    HB2  GLU  75           HB2      GLU  75  -5.871   4.849  18.383
  715    HB3  GLU  75           HB3      GLU  75  -5.541   5.736  16.889
  716    HG2  GLU  75           HG2      GLU  75  -8.020   5.952  16.526
  717    HG3  GLU  75           HG3      GLU  75  -8.290   5.130  18.069
  718    H    LYS  76           H        LYS  76  -8.756   3.222  16.096
  719    HA   LYS  76           HA       LYS  76  -9.287   1.501  18.447
  720    HB2  LYS  76           HB2      LYS  76 -11.127   2.257  16.150
  721    HB3  LYS  76           HB3      LYS  76 -11.597   1.515  17.676
  722    HG2  LYS  76           HG2      LYS  76 -10.493   4.332  17.277
  723    HG3  LYS  76           HG3      LYS  76 -12.166   3.880  17.571
  724    HD2  LYS  76           HD2      LYS  76 -11.533   2.983  19.812
  725    HD3  LYS  76           HD3      LYS  76  -9.851   3.489  19.526
  726    HE2  LYS  76           HE2      LYS  76 -10.597   5.837  19.254
  727    HE3  LYS  76           HE3      LYS  76 -12.272   5.345  19.529
  728    HZ1  LYS  76           HZ1      LYS  76 -11.627   4.625  21.768
  729    HZ2  LYS  76           HZ2      LYS  76 -11.257   6.200  21.561
  730    HZ3  LYS  76           HZ3      LYS  76 -10.076   5.076  21.516
  731    H    GLN  77           H        GLN  77  -9.583   1.066  14.877
  732    HA   GLN  77           HA       GLN  77  -9.077  -1.869  15.256
  733    HB2  GLN  77           HB2      GLN  77 -10.398  -0.341  12.984
  734    HB3  GLN  77           HB3      GLN  77  -9.847  -1.997  12.873
  735    HG2  GLN  77           HG2      GLN  77 -12.109  -2.175  13.303
  736    HG3  GLN  77           HG3      GLN  77 -11.308  -2.627  14.802
  737   HE21  GLN  77          HE21      GLN  77 -11.708   0.900  14.014
  738   HE22  GLN  77          HE22      GLN  77 -13.098   1.070  15.070
  739    H    GLN  78           H        GLN  78  -6.884  -2.078  15.340
  740    HA   GLN  78           HA       GLN  78  -4.975  -0.579  13.882
  741    HB2  GLN  78           HB2      GLN  78  -3.399  -2.279  14.571
  742    HB3  GLN  78           HB3      GLN  78  -4.518  -1.946  15.892
  743    HG2  GLN  78           HG2      GLN  78  -5.838  -4.041  15.054
  744    HG3  GLN  78           HG3      GLN  78  -4.407  -4.393  14.087
  745   HE21  GLN  78          HE21      GLN  78  -2.302  -4.698  15.336
  746   HE22  GLN  78          HE22      GLN  78  -2.431  -5.263  17.003
  747    H    HIS  79           H        HIS  79  -6.986  -3.170  12.804
  748    HA   HIS  79           HA       HIS  79  -5.386  -3.861  10.448
  749    HB2  HIS  79           HB2      HIS  79  -7.014  -5.583  10.136
  750    HB3  HIS  79           HB3      HIS  79  -6.578  -5.516  11.847
  751    HD1  HIS  79           HD1      HIS  79  -9.565  -4.673   9.534
  752    HD2  HIS  79           HD2      HIS  79  -8.521  -5.169  13.588
  753    HE1  HIS  79           HE1      HIS  79 -11.744  -4.623  10.849
  754    H    ILE  80           H        ILE  80  -7.426  -1.243  11.050
  755    HA   ILE  80           HA       ILE  80  -8.342  -1.132   8.201
  756    HB   ILE  80           HB       ILE  80  -9.409   0.363  10.615
  757   HG12  ILE  80          HG12      ILE  80 -10.596  -1.820   8.839
  758   HG13  ILE  80          HG13      ILE  80 -10.119  -1.982  10.525
  759   HG21  ILE  80          HG21      ILE  80  -9.443   1.801   8.577
  760   HG22  ILE  80          HG22      ILE  80 -10.288   0.514   7.690
  761   HG23  ILE  80          HG23      ILE  80 -11.060   1.342   9.057
  762   HD11  ILE  80          HD11      ILE  80 -11.895  -0.278  11.126
  763   HD12  ILE  80          HD12      ILE  80 -12.475  -0.409   9.447
  764   HD13  ILE  80          HD13      ILE  80 -12.484  -1.831  10.498
  765    H    VAL  81           H        VAL  81  -7.579   0.399   6.884
  766    HA   VAL  81           HA       VAL  81  -5.679   2.445   7.972
  767    HB   VAL  81           HB       VAL  81  -4.442   0.832   6.733
  768   HG11  VAL  81          HG11      VAL  81  -6.149  -0.170   5.313
  769   HG12  VAL  81          HG12      VAL  81  -6.253   1.325   4.354
  770   HG13  VAL  81          HG13      VAL  81  -4.755   0.370   4.379
  771   HG21  VAL  81          HG21      VAL  81  -4.792   3.299   4.986
  772   HG22  VAL  81          HG22      VAL  81  -3.790   3.204   6.457
  773   HG23  VAL  81          HG23      VAL  81  -3.396   2.218   5.033
  774    H    TYR  82           H        TYR  82  -5.997   4.489   7.515
  775    HA   TYR  82           HA       TYR  82  -8.264   5.255   5.787
  776    HB2  TYR  82           HB2      TYR  82  -7.155   6.570   8.220
  777    HB3  TYR  82           HB3      TYR  82  -8.054   7.477   7.012
  778    HD1  TYR  82           HD2      TYR  82  -8.298   4.501   9.270
  779    HD2  TYR  82           HD1      TYR  82 -10.421   7.384   6.860
  780    HE1  TYR  82           HE2      TYR  82 -10.458   3.646  10.155
  781    HE2  TYR  82           HE1      TYR  82 -12.586   6.541   7.770
  782    HH   TYR  82           HH       TYR  82 -12.745   3.873  10.158
  783    H    CYS  83           H        CYS  83  -7.661   5.421   3.815
  784    HA   CYS  83           HA       CYS  83  -5.098   6.491   2.974
  785    HB2  CYS  83           HB2      CYS  83  -7.571   5.876   1.314
  786    HB3  CYS  83           HB3      CYS  83  -5.892   5.870   0.779
  787    HG   CYS  83           HG       CYS  83  -6.805   3.426   0.787
  788    H    SER  84           H        SER  84  -8.264   7.862   3.547
  789    HA   SER  84           HA       SER  84  -8.303  10.003   1.721
  790    HB2  SER  84           HB2      SER  84  -9.940  11.031   3.235
  791    HB3  SER  84           HB3      SER  84 -10.263   9.314   2.968
  792    HG   SER  84           HG       SER  84 -10.441   9.937   5.184
  793    H    ASN  85           H        ASN  85  -7.936  12.205   1.903
  794    HA   ASN  85           HA       ASN  85  -6.644  14.014   2.143
  795    HB2  ASN  85           HB2      ASN  85  -6.571  13.261   5.086
  796    HB3  ASN  85           HB3      ASN  85  -6.194  14.839   4.410
  797   HD21  ASN  85          HD21      ASN  85  -8.700  12.975   5.721
  798   HD22  ASN  85          HD22      ASN  85 -10.018  14.017   5.203
  799    H    ASP  86           H        ASP  86  -5.221  11.331   1.709
  800    HA   ASP  86           HA       ASP  86  -2.479  12.459   1.863
  801    HB2  ASP  86           HB2      ASP  86  -2.734  10.924   3.791
  802    HB3  ASP  86           HB3      ASP  86  -3.241   9.628   2.697
  803    H    LEU  87           H        LEU  87  -0.949  11.293   0.430
  804    HA   LEU  87           HA       LEU  87  -1.700  10.916  -2.272
  805    HB2  LEU  87           HB2      LEU  87   0.543  11.377  -1.622
  806    HB3  LEU  87           HB3      LEU  87   0.603   9.972  -0.563
  807    HG   LEU  87           HG       LEU  87   0.609   8.446  -2.476
  808   HD11  LEU  87          HD11      LEU  87   0.678  10.963  -4.205
  809   HD12  LEU  87          HD12      LEU  87  -0.636   9.765  -4.165
  810   HD13  LEU  87          HD13      LEU  87   0.956   9.294  -4.763
  811   HD21  LEU  87          HD21      LEU  87   2.846   9.057  -3.341
  812   HD22  LEU  87          HD22      LEU  87   2.729   9.294  -1.585
  813   HD23  LEU  87          HD23      LEU  87   2.645  10.695  -2.679
  814    H    LEU  88           H        LEU  88  -1.630   8.514   0.421
  815    HA   LEU  88           HA       LEU  88  -1.904   6.181  -1.064
  816    HB2  LEU  88           HB2      LEU  88  -1.562   6.480   1.456
  817    HB3  LEU  88           HB3      LEU  88  -3.301   6.749   1.577
  818    HG   LEU  88           HG       LEU  88  -3.656   4.469   0.546
  819   HD11  LEU  88          HD11      LEU  88  -1.519   4.095  -0.594
  820   HD12  LEU  88          HD12      LEU  88  -1.676   2.905   0.698
  821   HD13  LEU  88          HD13      LEU  88  -0.631   4.307   0.937
  822   HD21  LEU  88          HD21      LEU  88  -2.006   4.465   3.077
  823   HD22  LEU  88          HD22      LEU  88  -3.082   3.162   2.506
  824   HD23  LEU  88          HD23      LEU  88  -3.752   4.734   2.979
  825    H    GLY  89           H        GLY  89  -4.521   8.451  -0.238
  826    HA2  GLY  89           HA2      GLY  89  -6.749   6.865  -1.082
  827    HA3  GLY  89           HA3      GLY  89  -6.685   8.630  -0.984
  828    H    ASP  90           H        ASP  90  -4.478   8.875  -2.949
  829    HA   ASP  90           HA       ASP  90  -6.039   8.684  -5.416
  830    HB2  ASP  90           HB2      ASP  90  -3.268   9.755  -4.848
  831    HB3  ASP  90           HB3      ASP  90  -3.959   9.630  -6.461
  832    H    LEU  91           H        LEU  91  -3.553   6.725  -3.922
  833    HA   LEU  91           HA       LEU  91  -3.169   5.006  -6.249
  834    HB2  LEU  91           HB2      LEU  91  -2.578   4.684  -3.263
  835    HB3  LEU  91           HB3      LEU  91  -2.342   3.399  -4.418
  836    HG   LEU  91           HG       LEU  91  -0.255   4.304  -4.055
  837   HD11  LEU  91          HD11      LEU  91  -1.127   5.600  -6.654
  838   HD12  LEU  91          HD12      LEU  91  -0.816   3.847  -6.447
  839   HD13  LEU  91          HD13      LEU  91   0.473   5.034  -6.198
  840   HD21  LEU  91          HD21      LEU  91   0.428   6.608  -4.333
  841   HD22  LEU  91          HD22      LEU  91  -0.829   6.476  -3.097
  842   HD23  LEU  91          HD23      LEU  91  -1.233   7.099  -4.714
  843    H    PHE  92           H        PHE  92  -4.947   4.493  -3.159
  844    HA   PHE  92           HA       PHE  92  -6.141   2.123  -4.263
  845    HB2  PHE  92           HB2      PHE  92  -6.300   3.417  -1.576
  846    HB3  PHE  92           HB3      PHE  92  -7.378   2.105  -2.011
  847    HD1  PHE  92           HD1      PHE  92  -6.386  -0.055  -2.981
  848    HD2  PHE  92           HD2      PHE  92  -4.126   2.828  -0.748
  849    HE1  PHE  92           HE1      PHE  92  -4.684  -1.807  -2.454
  850    HE2  PHE  92           HE2      PHE  92  -2.497   1.064  -0.105
  851    HZ   PHE  92           HZ       PHE  92  -2.762  -1.250  -0.999
  852    H    GLY  93           H        GLY  93  -7.402   5.333  -4.283
  853    HA2  GLY  93           HA2      GLY  93  -9.318   6.127  -5.277
  854    HA3  GLY  93           HA3      GLY  93  -9.673   4.501  -5.872
  855    H    VAL  94           H        VAL  94  -9.269   4.801  -2.443
  856    HA   VAL  94           HA       VAL  94 -12.169   5.107  -1.865
  857    HB   VAL  94           HB       VAL  94 -11.914   3.259  -0.130
  858   HG11  VAL  94          HG11      VAL  94 -12.474   1.463  -1.667
  859   HG12  VAL  94          HG12      VAL  94 -13.255   2.982  -2.149
  860   HG13  VAL  94          HG13      VAL  94 -11.825   2.394  -3.035
  861   HG21  VAL  94          HG21      VAL  94  -9.620   2.277  -1.850
  862   HG22  VAL  94          HG22      VAL  94  -9.418   2.996  -0.232
  863   HG23  VAL  94          HG23      VAL  94 -10.323   1.488  -0.431
  864    HA   PRO  95           HA       PRO  95 -10.470   7.559   1.453
  865    HB2  PRO  95           HB2      PRO  95 -12.454   7.476   3.344
  866    HB3  PRO  95           HB3      PRO  95 -12.628   8.339   1.787
  867    HG2  PRO  95           HG2      PRO  95 -13.577   5.526   2.459
  868    HG3  PRO  95           HG3      PRO  95 -14.517   6.861   1.713
  869    HD2  PRO  95           HD2      PRO  95 -13.365   4.939   0.209
  870    HD3  PRO  95           HD3      PRO  95 -13.366   6.638  -0.340
  871    H    SER  96           H        SER  96 -11.518   4.239   2.186
  872    HA   SER  96           HA       SER  96  -9.212   3.722   3.855
  873    HB2  SER  96           HB2      SER  96 -10.490   3.153   5.908
  874    HB3  SER  96           HB3      SER  96 -10.635   4.868   5.510
  875    HG   SER  96           HG       SER  96 -12.655   3.948   6.061
  876    H    PHE  97           H        PHE  97  -9.133   1.434   4.609
  877    HA   PHE  97           HA       PHE  97 -11.303  -0.346   3.838
  878    HB2  PHE  97           HB2      PHE  97 -10.043  -1.858   2.419
  879    HB3  PHE  97           HB3      PHE  97 -10.134  -0.276   1.685
  880    HD1  PHE  97           HD2      PHE  97  -7.928  -2.741   3.290
  881    HD2  PHE  97           HD1      PHE  97  -8.091   1.098   1.348
  882    HE1  PHE  97           HE2      PHE  97  -5.459  -2.756   3.066
  883    HE2  PHE  97           HE1      PHE  97  -5.620   1.059   1.094
  884    HZ   PHE  97           HZ       PHE  97  -4.304  -0.873   1.966
  885    H    SER  98           H        SER  98 -11.024  -2.542   4.649
  886    HA   SER  98           HA       SER  98  -9.243  -2.744   7.024
  887    HB2  SER  98           HB2      SER  98 -11.556  -3.443   7.352
  888    HB3  SER  98           HB3      SER  98 -11.413  -4.599   6.016
  889    HG   SER  98           HG       SER  98 -11.024  -5.700   7.907
  890    H    VAL  99           H        VAL  99  -7.363  -3.761   6.927
  891    HA   VAL  99           HA       VAL  99  -6.160  -4.602   4.500
  892    HB   VAL  99           HB       VAL  99  -5.354  -4.996   7.363
  893   HG11  VAL  99          HG11      VAL  99  -4.009  -6.547   6.099
  894   HG12  VAL  99          HG12      VAL  99  -3.654  -5.295   4.869
  895   HG13  VAL  99          HG13      VAL  99  -3.019  -5.155   6.527
  896   HG21  VAL  99          HG21      VAL  99  -5.594  -2.597   6.649
  897   HG22  VAL  99          HG22      VAL  99  -3.929  -3.034   7.018
  898   HG23  VAL  99          HG23      VAL  99  -4.458  -2.906   5.324
  899    H    LYS 100           H        LYS 100  -8.041  -6.461   6.805
  900    HA   LYS 100           HA       LYS 100  -7.195  -9.095   5.861
  901    HB2  LYS 100           HB2      LYS 100  -9.524  -8.098   7.541
  902    HB3  LYS 100           HB3      LYS 100  -9.436  -9.768   7.007
  903    HG2  LYS 100           HG2      LYS 100  -7.373  -8.385   8.748
  904    HG3  LYS 100           HG3      LYS 100  -8.607  -9.530   9.270
  905    HD2  LYS 100           HD2      LYS 100  -7.522 -11.205   7.588
  906    HD3  LYS 100           HD3      LYS 100  -6.174 -10.069   7.524
  907    HE2  LYS 100           HE2      LYS 100  -5.582 -11.761   9.073
  908    HE3  LYS 100           HE3      LYS 100  -5.886 -10.294   9.998
  909    HZ1  LYS 100           HZ1      LYS 100  -8.101 -11.217  10.557
  910    HZ2  LYS 100           HZ2      LYS 100  -6.922 -12.244  11.025
  911    HZ3  LYS 100           HZ3      LYS 100  -7.790 -12.563   9.684
  912    H    GLU 101           H        GLU 101  -9.131  -6.749   4.337
  913    HA   GLU 101           HA       GLU 101 -10.705  -8.657   2.754
  914    HB2  GLU 101           HB2      GLU 101 -10.268  -5.671   2.383
  915    HB3  GLU 101           HB3      GLU 101 -11.413  -6.681   1.487
  916    HG2  GLU 101           HG2      GLU 101 -12.604  -7.253   3.554
  917    HG3  GLU 101           HG3      GLU 101 -11.489  -6.276   4.506
  918    H    HIS 102           H        HIS 102  -8.244  -9.626   2.605
  919    HA   HIS 102           HA       HIS 102  -6.337  -8.548   0.937
  920    HB2  HIS 102           HB2      HIS 102  -6.932 -11.516   1.145
  921    HB3  HIS 102           HB3      HIS 102  -5.391 -10.765   0.760
  922    HD1  HIS 102           HD1      HIS 102  -5.084  -8.763   3.242
  923    HD2  HIS 102           HD2      HIS 102  -6.367 -12.764   3.337
  924    HE1  HIS 102           HE1      HIS 102  -4.323  -9.698   5.471
  925    H    ARG 103           H        ARG 103  -9.002 -10.692  -0.138
  926    HA   ARG 103           HA       ARG 103  -8.287 -10.875  -2.880
  927    HB2  ARG 103           HB2      ARG 103 -10.585 -11.583  -3.263
  928    HB3  ARG 103           HB3      ARG 103  -9.916 -12.341  -1.821
  929    HG2  ARG 103           HG2      ARG 103 -11.167 -10.692  -0.396
  930    HG3  ARG 103           HG3      ARG 103 -11.885 -10.008  -1.867
  931    HD2  ARG 103           HD2      ARG 103 -12.897 -12.184  -2.408
  932    HD3  ARG 103           HD3      ARG 103 -12.163 -12.914  -0.982
  933    HE   ARG 103           HE       ARG 103 -14.453 -11.038  -1.093
  934   HH11  ARG 103          HH11      ARG 103 -12.301 -12.800   1.050
  935   HH12  ARG 103          HH12      ARG 103 -13.376 -12.623   2.409
  936   HH21  ARG 103          HH21      ARG 103 -15.755 -10.840   0.686
  937   HH22  ARG 103          HH22      ARG 103 -15.274 -11.544   2.201
  938    H    LYS 104           H        LYS 104  -9.983  -8.247  -1.252
  939    HA   LYS 104           HA       LYS 104 -10.623  -6.803  -3.747
  940    HB2  LYS 104           HB2      LYS 104 -12.016  -6.632  -1.673
  941    HB3  LYS 104           HB3      LYS 104 -10.651  -5.869  -0.847
  942    HG2  LYS 104           HG2      LYS 104 -10.700  -4.062  -2.663
  943    HG3  LYS 104           HG3      LYS 104 -12.215  -4.770  -3.223
  944    HD2  LYS 104           HD2      LYS 104 -11.683  -3.716  -0.405
  945    HD3  LYS 104           HD3      LYS 104 -12.481  -2.799  -1.689
  946    HE2  LYS 104           HE2      LYS 104 -14.331  -4.382  -1.777
  947    HE3  LYS 104           HE3      LYS 104 -13.519  -5.465  -0.635
  948    HZ1  LYS 104           HZ1      LYS 104 -14.389  -2.710   0.041
  949    HZ2  LYS 104           HZ2      LYS 104 -13.681  -3.790   1.064
  950    HZ3  LYS 104           HZ3      LYS 104 -15.181  -4.075   0.474
  951    H    ILE 105           H        ILE 105  -8.224  -6.535  -1.100
  952    HA   ILE 105           HA       ILE 105  -6.841  -4.275  -2.144
  953    HB   ILE 105           HB       ILE 105  -5.822  -6.521  -0.387
  954   HG12  ILE 105          HG12      ILE 105  -6.605  -3.691   0.439
  955   HG13  ILE 105          HG13      ILE 105  -7.795  -4.980   0.384
  956   HG21  ILE 105          HG21      ILE 105  -4.039  -4.859   0.288
  957   HG22  ILE 105          HG22      ILE 105  -3.876  -5.402  -1.374
  958   HG23  ILE 105          HG23      ILE 105  -4.568  -3.803  -1.024
  959   HD11  ILE 105          HD11      ILE 105  -5.349  -4.925   2.179
  960   HD12  ILE 105          HD12      ILE 105  -7.059  -4.837   2.621
  961   HD13  ILE 105          HD13      ILE 105  -6.417  -6.338   1.964
  962    H    TYR 106           H        TYR 106  -6.221  -7.781  -2.782
  963    HA   TYR 106           HA       TYR 106  -4.014  -7.386  -4.459
  964    HB2  TYR 106           HB2      TYR 106  -6.128  -9.543  -4.595
  965    HB3  TYR 106           HB3      TYR 106  -4.614  -9.581  -5.478
  966    HD1  TYR 106           HD1      TYR 106  -2.612  -8.661  -3.405
  967    HD2  TYR 106           HD2      TYR 106  -5.979 -11.349  -3.134
  968    HE1  TYR 106           HE1      TYR 106  -1.547  -9.807  -1.477
  969    HE2  TYR 106           HE2      TYR 106  -4.871 -12.542  -1.255
  970    HH   TYR 106           HH       TYR 106  -1.650 -11.603  -0.046
  971    H    THR 107           H        THR 107  -7.453  -7.333  -5.513
  972    HA   THR 107           HA       THR 107  -6.669  -6.761  -8.227
  973    HB   THR 107           HB       THR 107  -8.847  -7.828  -7.512
  974    HG1  THR 107           HG1      THR 107  -9.728  -7.101  -9.427
  975   HG21  THR 107          HG21      THR 107  -9.776  -6.031  -6.093
  976   HG22  THR 107          HG22      THR 107 -10.796  -6.327  -7.499
  977   HG23  THR 107          HG23      THR 107  -9.737  -4.902  -7.466
  978    H    MET 108           H        MET 108  -7.371  -4.602  -5.516
  979    HA   MET 108           HA       MET 108  -7.165  -2.174  -7.075
  980    HB2  MET 108           HB2      MET 108  -6.612  -2.656  -4.124
  981    HB3  MET 108           HB3      MET 108  -6.662  -1.081  -4.932
  982    HG2  MET 108           HG2      MET 108  -9.004  -1.577  -5.666
  983    HG3  MET 108           HG3      MET 108  -8.984  -3.023  -4.670
  984    HE1  MET 108           HE1      MET 108  -8.862  -2.973  -1.960
  985    HE2  MET 108           HE2      MET 108  -7.406  -1.955  -1.970
  986    HE3  MET 108           HE3      MET 108  -8.819  -1.470  -1.012
  987    H    MET 109           H        MET 109  -4.684  -4.180  -5.425
  988    HA   MET 109           HA       MET 109  -2.447  -2.472  -6.052
  989    HB2  MET 109           HB2      MET 109  -2.638  -5.453  -5.442
  990    HB3  MET 109           HB3      MET 109  -1.117  -4.610  -5.693
  991    HG2  MET 109           HG2      MET 109  -3.138  -4.024  -3.505
  992    HG3  MET 109           HG3      MET 109  -1.608  -4.860  -3.309
  993    HE1  MET 109           HE1      MET 109   0.784  -3.647  -3.295
  994    HE2  MET 109           HE2      MET 109   0.473  -3.121  -4.970
  995    HE3  MET 109           HE3      MET 109   0.971  -1.941  -3.750
  996    H    ALA 110           H        ALA 110  -3.905  -5.247  -7.810
  997    HA   ALA 110           HA       ALA 110  -2.078  -5.265  -9.992
  998    HB1  ALA 110           HB1      ALA 110  -3.882  -6.515 -11.126
  999    HB2  ALA 110           HB2      ALA 110  -3.671  -7.067  -9.451
 1000    HB3  ALA 110           HB3      ALA 110  -5.034  -6.010  -9.870
 1001    H    SER 111           H        SER 111  -5.036  -3.281  -9.479
 1002    HA   SER 111           HA       SER 111  -5.131  -2.054 -12.038
 1003    HB2  SER 111           HB2      SER 111  -6.918  -1.938 -10.341
 1004    HB3  SER 111           HB3      SER 111  -5.908  -0.875  -9.345
 1005    HG   SER 111           HG       SER 111  -7.422   0.258 -10.689
 1006    H    MET 112           H        MET 112  -3.105  -1.228  -9.215
 1007    HA   MET 112           HA       MET 112  -2.062   1.234 -10.283
 1008    HB2  MET 112           HB2      MET 112  -0.828  -0.613  -8.205
 1009    HB3  MET 112           HB3      MET 112  -0.382   1.066  -8.512
 1010    HG2  MET 112           HG2      MET 112  -2.616   1.825  -7.804
 1011    HG3  MET 112           HG3      MET 112  -3.102   0.151  -7.543
 1012    HE1  MET 112           HE1      MET 112  -3.940   1.353  -5.272
 1013    HE2  MET 112           HE2      MET 112  -3.551  -0.369  -5.088
 1014    HE3  MET 112           HE3      MET 112  -3.023   0.794  -3.854
 1015    H    THR 113           H        THR 113  -1.427  -1.937 -11.295
 1016    HA   THR 113           HA       THR 113   1.096  -1.084 -12.606
 1017    HB   THR 113           HB       THR 113   2.174  -3.040 -12.296
 1018    HG1  THR 113           HG1      THR 113   1.139  -4.946 -11.632
 1019   HG21  THR 113          HG21      THR 113   2.055  -3.662  -9.924
 1020   HG22  THR 113          HG22      THR 113   0.482  -2.895  -9.758
 1021   HG23  THR 113          HG23      THR 113   1.919  -1.904 -10.092
 1022    H    GLY 114           H        GLY 114  -1.914  -2.825 -13.148
 1023    HA2  GLY 114           HA2      GLY 114  -1.427  -3.273 -15.986
 1024    HA3  GLY 114           HA3      GLY 114  -2.965  -3.386 -15.123
 1025    H    GLY 115           H        GLY 115  -2.850  -0.617 -14.077
 1026    HA2  GLY 115           HA2      GLY 115  -3.182   1.584 -14.654
 1027    HA3  GLY 115           HA3      GLY 115  -2.654   1.255 -16.299
 1028    H    GLN 116           H        GLN 116  -4.624   3.004 -15.935
 1029    HA   GLN 116           HA       GLN 116  -7.295   1.834 -16.172
 1030    HB2  GLN 116           HB2      GLN 116  -6.848   3.894 -14.903
 1031    HB3  GLN 116           HB3      GLN 116  -6.281   4.686 -16.362
 1032    HG2  GLN 116           HG2      GLN 116  -8.904   3.720 -16.990
 1033    HG3  GLN 116           HG3      GLN 116  -9.008   4.321 -15.343
 1034   HE21  GLN 116          HE21      GLN 116  -7.499   5.324 -18.478
 1035   HE22  GLN 116          HE22      GLN 116  -7.959   7.025 -18.309
 1036    H    GLN 117           H        GLN 117  -6.423   0.504 -18.053
 1037    HA   GLN 117           HA       GLN 117  -5.737   1.633 -20.550
 1038    HB2  GLN 117           HB2      GLN 117  -6.915  -1.101 -19.906
 1039    HB3  GLN 117           HB3      GLN 117  -6.181  -0.644 -21.449
 1040    HG2  GLN 117           HG2      GLN 117  -4.030  -0.149 -20.263
 1041    HG3  GLN 117           HG3      GLN 117  -4.760  -0.703 -18.757
 1042   HE21  GLN 117          HE21      GLN 117  -2.978  -2.268 -18.682
 1043   HE22  GLN 117          HE22      GLN 117  -3.097  -3.743 -19.652
 1044    H    MET 118           H        MET 118  -8.927   1.429 -19.241
 1045    HA   MET 118           HA       MET 118 -10.482   1.268 -21.631
 1046    HB2  MET 118           HB2      MET 118 -11.319   0.909 -19.324
 1047    HB3  MET 118           HB3      MET 118 -11.065   2.614 -18.965
 1048    HG2  MET 118           HG2      MET 118 -13.402   2.228 -19.391
 1049    HG3  MET 118           HG3      MET 118 -12.743   3.249 -20.654
 1050    HE1  MET 118           HE1      MET 118 -14.236  -0.214 -19.664
 1051    HE2  MET 118           HE2      MET 118 -14.095  -1.172 -21.153
 1052    HE3  MET 118           HE3      MET 118 -12.641  -0.776 -20.219
 1053    H    GLY 119           H        GLY 119  -8.752   3.975 -20.192
 1054    HA2  GLY 119           HA2      GLY 119  -8.313   6.130 -20.916
 1055    HA3  GLY 119           HA3      GLY 119  -8.880   5.647 -22.512
  Start of MODEL   18
    1    H1   MET -11           H1       MET -11  -3.701  -5.187  22.301
    2    H2   MET -11           H2       MET -11  -2.416  -4.321  21.763
    3    H3   MET -11           H3       MET -11  -2.248  -5.910  22.105
    4    HA   MET -11           HA       MET -11  -3.702  -6.535  20.306
    5    HB2  MET -11           HB2      MET -11  -3.806  -3.533  19.792
    6    HB3  MET -11           HB3      MET -11  -4.309  -4.757  18.625
    7    HG2  MET -11           HG2      MET -11  -5.986  -5.619  20.208
    8    HG3  MET -11           HG3      MET -11  -5.554  -4.364  21.372
    9    HE1  MET -11           HE1      MET -11  -6.273  -1.876  21.252
   10    HE2  MET -11           HE2      MET -11  -5.245  -1.674  19.815
   11    HE3  MET -11           HE3      MET -11  -6.921  -1.091  19.798
   12    HA   PRO -10           HA       PRO -10   0.149  -6.693  18.018
   13    HB2  PRO -10           HB2      PRO -10  -0.662  -7.905  15.708
   14    HB3  PRO -10           HB3      PRO -10  -0.544  -8.774  17.271
   15    HG2  PRO -10           HG2      PRO -10  -3.017  -7.552  16.001
   16    HG3  PRO -10           HG3      PRO -10  -2.823  -9.197  16.686
   17    HD2  PRO -10           HD2      PRO -10  -3.921  -7.161  18.118
   18    HD3  PRO -10           HD3      PRO -10  -2.872  -8.383  18.900
   19    H    ARG  -9           H        ARG  -9   1.194  -5.286  16.674
   20    HA   ARG  -9           HA       ARG  -9  -0.155  -2.973  15.641
   21    HB2  ARG  -9           HB2      ARG  -9   1.965  -2.232  14.826
   22    HB3  ARG  -9           HB3      ARG  -9   2.160  -2.873  16.438
   23    HG2  ARG  -9           HG2      ARG  -9   2.899  -4.377  13.874
   24    HG3  ARG  -9           HG3      ARG  -9   4.010  -3.379  14.794
   25    HD2  ARG  -9           HD2      ARG  -9   2.678  -5.916  15.777
   26    HD3  ARG  -9           HD3      ARG  -9   4.357  -5.741  15.280
   27    HE   ARG  -9           HE       ARG  -9   4.369  -3.923  17.201
   28   HH11  ARG  -9          HH11      ARG  -9   3.032  -7.192  17.425
   29   HH12  ARG  -9          HH12      ARG  -9   3.135  -7.162  19.165
   30   HH21  ARG  -9          HH21      ARG  -9   4.485  -4.022  19.399
   31   HH22  ARG  -9          HH22      ARG  -9   3.954  -5.448  20.238
   32    H    PHE  -8           H        PHE  -8  -0.228  -2.160  13.541
   33    HA   PHE  -8           HA       PHE  -8  -1.584  -3.499  11.641
   34    HB2  PHE  -8           HB2      PHE  -8  -1.578  -1.249  11.397
   35    HB3  PHE  -8           HB3      PHE  -8   0.159  -1.097  11.597
   36    HD1  PHE  -8           HD1      PHE  -8  -2.523  -1.771   9.136
   37    HD2  PHE  -8           HD2      PHE  -8   1.725  -1.365   9.772
   38    HE1  PHE  -8           HE1      PHE  -8  -2.146  -1.674   6.675
   39    HE2  PHE  -8           HE2      PHE  -8   2.092  -1.331   7.323
   40    HZ   PHE  -8           HZ       PHE  -8   0.158  -1.483   5.773
   41    H    TRP  -7           H        TRP  -7   1.970  -3.519  11.569
   42    HA   TRP  -7           HA       TRP  -7   2.219  -4.677   9.009
   43    HB2  TRP  -7           HB2      TRP  -7   4.032  -3.574  10.157
   44    HB3  TRP  -7           HB3      TRP  -7   4.059  -4.812  11.410
   45    HD1  TRP  -7           HD1      TRP  -7   5.182  -7.127  10.844
   46    HE1  TRP  -7           HE1      TRP  -7   6.657  -8.001   8.936
   47    HE3  TRP  -7           HE3      TRP  -7   4.474  -3.331   7.474
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.347  -7.219   6.248
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.548  -3.445   5.227
   50    HH2  TRP  -7           HH2      TRP  -7   6.962  -5.370   4.607
   51    H    GLU  -6           H        GLU  -6   1.489  -6.319  12.077
   52    HA   GLU  -6           HA       GLU  -6   2.099  -8.988  11.122
   53    HB2  GLU  -6           HB2      GLU  -6   0.200  -8.087  13.335
   54    HB3  GLU  -6           HB3      GLU  -6   0.740  -9.742  13.023
   55    HG2  GLU  -6           HG2      GLU  -6   3.130  -8.930  13.341
   56    HG3  GLU  -6           HG3      GLU  -6   2.469  -7.381  13.873
   57    H    TYR  -5           H        TYR  -5  -0.548  -6.857  10.478
   58    HA   TYR  -5           HA       TYR  -5  -2.166  -9.004   9.247
   59    HB2  TYR  -5           HB2      TYR  -5  -2.740  -6.131   9.874
   60    HB3  TYR  -5           HB3      TYR  -5  -3.621  -6.953   8.604
   61    HD1  TYR  -5           HD2      TYR  -5  -2.954  -6.949  12.259
   62    HD2  TYR  -5           HD1      TYR  -5  -5.216  -8.675   9.016
   63    HE1  TYR  -5           HE2      TYR  -5  -4.521  -7.975  13.899
   64    HE2  TYR  -5           HE1      TYR  -5  -6.800  -9.676  10.654
   65    HH   TYR  -5           HH       TYR  -5  -6.395  -9.277  14.193
   66    H    TRP  -4           H        TRP  -4  -0.330  -6.150   8.267
   67    HA   TRP  -4           HA       TRP  -4  -0.830  -6.341   5.441
   68    HB2  TRP  -4           HB2      TRP  -4   0.066  -4.393   6.842
   69    HB3  TRP  -4           HB3      TRP  -4   1.621  -5.223   6.879
   70    HD1  TRP  -4           HD1      TRP  -4   3.018  -5.287   4.623
   71    HE1  TRP  -4           HE1      TRP  -4   2.803  -4.097   2.354
   72    HE3  TRP  -4           HE3      TRP  -4  -1.728  -3.467   5.109
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.727  -2.813   0.832
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.844  -2.351   3.194
   75    HH2  TRP  -4           HH2      TRP  -4  -1.645  -2.013   1.062
   76    H    LEU  -3           H        LEU  -3   1.733  -7.839   7.468
   77    HA   LEU  -3           HA       LEU  -3   3.275  -9.009   5.451
   78    HB2  LEU  -3           HB2      LEU  -3   3.754  -8.925   7.893
   79    HB3  LEU  -3           HB3      LEU  -3   2.450 -10.076   8.188
   80    HG   LEU  -3           HG       LEU  -3   3.720 -11.798   6.868
   81   HD11  LEU  -3          HD11      LEU  -3   5.849  -9.611   6.858
   82   HD12  LEU  -3          HD12      LEU  -3   5.069 -10.324   5.429
   83   HD13  LEU  -3          HD13      LEU  -3   6.143 -11.314   6.426
   84   HD21  LEU  -3          HD21      LEU  -3   5.430 -12.179   8.591
   85   HD22  LEU  -3          HD22      LEU  -3   3.913 -11.644   9.329
   86   HD23  LEU  -3          HD23      LEU  -3   5.263 -10.501   9.158
   87    H    ARG  -2           H        ARG  -2   0.081  -9.984   6.608
   88    HA   ARG  -2           HA       ARG  -2   0.103 -12.643   5.425
   89    HB2  ARG  -2           HB2      ARG  -2  -2.346 -11.107   6.287
   90    HB3  ARG  -2           HB3      ARG  -2  -2.130 -12.853   6.169
   91    HG2  ARG  -2           HG2      ARG  -2  -0.941 -10.941   8.191
   92    HG3  ARG  -2           HG3      ARG  -2  -2.104 -12.222   8.501
   93    HD2  ARG  -2           HD2      ARG  -2  -0.426 -13.940   8.144
   94    HD3  ARG  -2           HD3      ARG  -2   0.742 -12.754   7.535
   95    HE   ARG  -2           HE       ARG  -2   0.021 -11.883  10.096
   96   HH11  ARG  -2          HH11      ARG  -2   2.027 -14.354   8.577
   97   HH12  ARG  -2          HH12      ARG  -2   2.946 -14.601  10.036
   98   HH21  ARG  -2          HH21      ARG  -2   1.214 -12.287  11.906
   99   HH22  ARG  -2          HH22      ARG  -2   2.527 -13.430  11.861
  100    H    LEU  -1           H        LEU  -1  -0.547  -9.502   4.118
  101    HA   LEU  -1           HA       LEU  -1  -1.999 -10.371   1.760
  102    HB2  LEU  -1           HB2      LEU  -1  -0.110  -8.031   2.258
  103    HB3  LEU  -1           HB3      LEU  -1  -0.960  -8.258   0.767
  104    HG   LEU  -1           HG       LEU  -1  -2.414  -7.915   3.412
  105   HD11  LEU  -1          HD11      LEU  -1  -1.023  -5.965   2.828
  106   HD12  LEU  -1          HD12      LEU  -1  -2.749  -5.598   2.616
  107   HD13  LEU  -1          HD13      LEU  -1  -1.719  -5.939   1.201
  108   HD21  LEU  -1          HD21      LEU  -1  -3.336  -7.623   0.504
  109   HD22  LEU  -1          HD22      LEU  -1  -4.325  -7.412   1.965
  110   HD23  LEU  -1          HD23      LEU  -1  -3.697  -9.010   1.538
  111    H    MET   0           H        MET   0   1.466  -9.916   2.544
  112    HA   MET   0           HA       MET   0   2.330 -10.655  -0.104
  113    HB2  MET   0           HB2      MET   0   4.048 -10.463   2.409
  114    HB3  MET   0           HB3      MET   0   4.560 -10.381   0.709
  115    HG2  MET   0           HG2      MET   0   2.831  -8.404   0.602
  116    HG3  MET   0           HG3      MET   0   3.071  -8.338   2.346
  117    HE1  MET   0           HE1      MET   0   6.133  -8.680   2.944
  118    HE2  MET   0           HE2      MET   0   6.691  -7.009   2.656
  119    HE3  MET   0           HE3      MET   0   5.136  -7.289   3.464
  120    H    GLU   1           H        GLU   1   2.182 -12.335   3.018
  121    HA   GLU   1           HA       GLU   1   3.223 -14.898   2.125
  122    HB2  GLU   1           HB2      GLU   1   1.403 -14.082   4.415
  123    HB3  GLU   1           HB3      GLU   1   1.962 -15.739   4.165
  124    HG2  GLU   1           HG2      GLU   1   4.302 -15.036   4.346
  125    HG3  GLU   1           HG3      GLU   1   3.809 -13.361   4.601
  126    H    GLY   2           H        GLY   2   0.228 -13.322   1.484
  127    HA2  GLY   2           HA2      GLY   2  -1.319 -15.773   0.948
  128    HA3  GLY   2           HA3      GLY   2  -1.890 -14.114   0.914
  129    H    GLY   3           H        GLY   3  -2.611 -13.655  -1.048
  130    HA2  GLY   3           HA2      GLY   3  -2.775 -13.355  -3.325
  131    HA3  GLY   3           HA3      GLY   3  -1.047 -13.685  -3.436
  132    H    GLY   4           H        GLY   4  -1.061 -14.983  -5.216
  133    HA2  GLY   4           HA2      GLY   4  -1.127 -16.929  -6.439
  134    HA3  GLY   4           HA3      GLY   4  -1.154 -17.726  -4.869
  135    H    GLU   5           H        GLU   5  -2.830 -18.986  -4.452
  136    HA   GLU   5           HA       GLU   5  -4.887 -19.522  -6.363
  137    HB2  GLU   5           HB2      GLU   5  -4.662 -20.332  -3.434
  138    HB3  GLU   5           HB3      GLU   5  -5.734 -21.081  -4.608
  139    HG2  GLU   5           HG2      GLU   5  -2.685 -21.117  -4.688
  140    HG3  GLU   5           HG3      GLU   5  -3.726 -22.426  -4.159
  141    H    ASN   6           H        ASN   6  -4.880 -17.190  -3.747
  142    HA   ASN   6           HA       ASN   6  -7.841 -17.042  -3.591
  143    HB2  ASN   6           HB2      ASN   6  -5.629 -15.355  -2.351
  144    HB3  ASN   6           HB3      ASN   6  -7.347 -15.007  -2.181
  145   HD21  ASN   6          HD21      ASN   6  -6.484 -18.415  -2.150
  146   HD22  ASN   6          HD22      ASN   6  -6.501 -18.559  -0.392
  147    H    LEU   7           H        LEU   7  -5.198 -14.976  -4.803
  148    HA   LEU   7           HA       LEU   7  -6.615 -14.208  -7.164
  149    HB2  LEU   7           HB2      LEU   7  -6.929 -12.486  -4.824
  150    HB3  LEU   7           HB3      LEU   7  -6.013 -11.623  -6.043
  151    HG   LEU   7           HG       LEU   7  -8.706 -12.961  -6.580
  152   HD11  LEU   7          HD11      LEU   7  -9.641 -10.690  -6.485
  153   HD12  LEU   7          HD12      LEU   7  -8.054 -10.033  -6.036
  154   HD13  LEU   7          HD13      LEU   7  -8.916 -11.133  -4.935
  155   HD21  LEU   7          HD21      LEU   7  -7.385 -12.632  -8.636
  156   HD22  LEU   7          HD22      LEU   7  -7.065 -10.942  -8.179
  157   HD23  LEU   7          HD23      LEU   7  -8.712 -11.474  -8.577
  158    H    TYR   8           H        TYR   8  -5.239 -13.317  -8.668
  159    HA   TYR   8           HA       TYR   8  -2.559 -12.433  -7.972
  160    HB2  TYR   8           HB2      TYR   8  -1.910 -14.631  -8.006
  161    HB3  TYR   8           HB3      TYR   8  -2.980 -15.051  -9.331
  162    HD1  TYR   8           HD1      TYR   8   0.204 -13.302  -8.499
  163    HD2  TYR   8           HD2      TYR   8  -2.302 -14.900 -11.631
  164    HE1  TYR   8           HE1      TYR   8   2.060 -13.013 -10.134
  165    HE2  TYR   8           HE2      TYR   8  -0.447 -14.601 -13.263
  166    HH   TYR   8           HH       TYR   8   2.738 -13.260 -12.311
  167    H    PHE   9           H        PHE   9  -4.583 -13.229 -10.787
  168    HA   PHE   9           HA       PHE   9  -3.516 -11.138 -12.446
  169    HB2  PHE   9           HB2      PHE   9  -6.069 -12.763 -12.591
  170    HB3  PHE   9           HB3      PHE   9  -5.596 -11.589 -13.805
  171    HD1  PHE   9           HD1      PHE   9  -3.249 -11.845 -14.923
  172    HD2  PHE   9           HD2      PHE   9  -5.286 -15.006 -12.807
  173    HE1  PHE   9           HE1      PHE   9  -1.857 -13.535 -16.099
  174    HE2  PHE   9           HE2      PHE   9  -3.892 -16.690 -13.984
  175    HZ   PHE   9           HZ       PHE   9  -2.176 -15.958 -15.631
  176    H    GLN  10           H        GLN  10  -4.860  -9.314 -13.369
  177    HA   GLN  10           HA       GLN  10  -5.863  -7.586 -11.277
  178    HB2  GLN  10           HB2      GLN  10  -4.779  -6.751 -13.333
  179    HB3  GLN  10           HB3      GLN  10  -6.134  -7.361 -14.299
  180    HG2  GLN  10           HG2      GLN  10  -7.681  -5.832 -13.070
  181    HG3  GLN  10           HG3      GLN  10  -6.328  -5.266 -12.085
  182   HE21  GLN  10          HE21      GLN  10  -7.175  -3.135 -12.960
  183   HE22  GLN  10          HE22      GLN  10  -6.539  -2.619 -14.526
  184    H    GLY  11           H        GLY  11  -7.663  -8.002 -10.196
  185    HA2  GLY  11           HA2      GLY  11  -9.665  -9.829 -11.103
  186    HA3  GLY  11           HA3      GLY  11  -9.678  -8.894  -9.607
  187    H    MET  12           H        MET  12  -9.490  -6.436 -11.618
  188    HA   MET  12           HA       MET  12 -10.940  -4.795 -12.238
  189    HB2  MET  12           HB2      MET  12 -12.482  -7.090 -13.504
  190    HB3  MET  12           HB3      MET  12 -12.692  -5.369 -13.857
  191    HG2  MET  12           HG2      MET  12 -10.326  -5.230 -14.589
  192    HG3  MET  12           HG3      MET  12 -10.135  -6.960 -14.276
  193    HE1  MET  12           HE1      MET  12  -9.936  -6.886 -18.142
  194    HE2  MET  12           HE2      MET  12  -9.274  -5.705 -16.991
  195    HE3  MET  12           HE3      MET  12  -9.189  -7.445 -16.629
  196    H    SER  13           H        SER  13 -11.154  -4.865  -9.817
  197    HA   SER  13           HA       SER  13 -12.268  -4.629  -7.890
  198    HB2  SER  13           HB2      SER  13 -14.782  -4.292  -9.528
  199    HB3  SER  13           HB3      SER  13 -14.639  -4.096  -7.776
  200    HG   SER  13           HG       SER  13 -14.406  -2.087  -8.919
  201    H    VAL  14           H        VAL  14 -11.520  -7.070  -8.407
  202    HA   VAL  14           HA       VAL  14 -11.677  -9.181  -7.675
  203    HB   VAL  14           HB       VAL  14 -14.247  -8.433  -6.276
  204   HG11  VAL  14          HG11      VAL  14 -13.797 -10.918  -6.402
  205   HG12  VAL  14          HG12      VAL  14 -12.227 -10.636  -5.611
  206   HG13  VAL  14          HG13      VAL  14 -13.746 -10.290  -4.764
  207   HG21  VAL  14          HG21      VAL  14 -12.767  -8.177  -4.254
  208   HG22  VAL  14          HG22      VAL  14 -11.363  -8.228  -5.340
  209   HG23  VAL  14          HG23      VAL  14 -12.576  -6.927  -5.467
  210    HA   PRO  15           HA       PRO  15 -13.812 -10.909 -11.112
  211    HB2  PRO  15           HB2      PRO  15 -13.363 -13.619 -10.782
  212    HB3  PRO  15           HB3      PRO  15 -12.142 -12.443 -11.347
  213    HG2  PRO  15           HG2      PRO  15 -12.566 -13.472  -8.523
  214    HG3  PRO  15           HG3      PRO  15 -11.029 -13.358  -9.443
  215    HD2  PRO  15           HD2      PRO  15 -11.705 -11.453  -7.675
  216    HD3  PRO  15           HD3      PRO  15 -10.986 -10.989  -9.243
  217    H    THR  16           H        THR  16 -14.653 -12.201  -7.905
  218    HA   THR  16           HA       THR  16 -17.421 -11.781  -8.497
  219    HB   THR  16           HB       THR  16 -17.061 -14.122  -9.365
  220    HG1  THR  16           HG1      THR  16 -19.053 -14.716  -8.548
  221   HG21  THR  16          HG21      THR  16 -15.692 -14.991  -7.436
  222   HG22  THR  16          HG22      THR  16 -17.122 -15.967  -7.810
  223   HG23  THR  16          HG23      THR  16 -17.141 -14.878  -6.408
  224    H    ASP  17           H        ASP  17 -18.726 -11.394  -6.713
  225    HA   ASP  17           HA       ASP  17 -17.238 -10.952  -4.192
  226    HB2  ASP  17           HB2      ASP  17 -18.810  -9.245  -5.241
  227    HB3  ASP  17           HB3      ASP  17 -20.148 -10.319  -4.812
  228    H    GLY  18           H        GLY  18 -18.538 -11.517  -2.132
  229    HA2  GLY  18           HA2      GLY  18 -19.365 -13.159  -0.700
  230    HA3  GLY  18           HA3      GLY  18 -19.882 -14.126  -2.083
  231    H    ALA  19           H        ALA  19 -16.835 -13.622  -2.970
  232    HA   ALA  19           HA       ALA  19 -15.665 -16.046  -1.927
  233    HB1  ALA  19           HB1      ALA  19 -14.438 -13.681  -3.418
  234    HB2  ALA  19           HB2      ALA  19 -13.676 -15.267  -3.171
  235    HB3  ALA  19           HB3      ALA  19 -15.141 -15.134  -4.164
  236    H    VAL  20           H        VAL  20 -13.914 -16.262  -0.517
  237    HA   VAL  20           HA       VAL  20 -13.135 -13.992   1.222
  238    HB   VAL  20           HB       VAL  20 -13.452 -15.187   3.254
  239   HG11  VAL  20          HG11      VAL  20 -15.413 -13.927   2.376
  240   HG12  VAL  20          HG12      VAL  20 -16.053 -15.440   1.696
  241   HG13  VAL  20          HG13      VAL  20 -15.853 -15.266   3.448
  242   HG21  VAL  20          HG21      VAL  20 -14.590 -17.367   3.407
  243   HG22  VAL  20          HG22      VAL  20 -14.578 -17.510   1.637
  244   HG23  VAL  20          HG23      VAL  20 -13.053 -17.508   2.552
  245    H    THR  21           H        THR  21 -11.235 -14.467   2.586
  246    HA   THR  21           HA       THR  21  -9.191 -15.681   0.994
  247    HB   THR  21           HB       THR  21  -7.581 -14.857   2.332
  248    HG1  THR  21           HG1      THR  21  -7.872 -14.324   4.490
  249   HG21  THR  21          HG21      THR  21  -9.875 -12.941   2.967
  250   HG22  THR  21          HG22      THR  21  -8.976 -12.985   1.430
  251   HG23  THR  21          HG23      THR  21  -8.149 -12.569   2.941
  252    H    THR  22           H        THR  22  -7.879 -17.403   1.253
  253    HA   THR  22           HA       THR  22  -8.508 -19.442   3.260
  254    HB   THR  22           HB       THR  22  -8.540 -20.450   0.445
  255    HG1  THR  22           HG1      THR  22 -10.206 -18.980   0.459
  256   HG21  THR  22          HG21      THR  22  -8.343 -22.106   2.240
  257   HG22  THR  22          HG22      THR  22  -9.925 -22.232   1.467
  258   HG23  THR  22          HG23      THR  22  -9.781 -21.435   3.049
  259    H    SER  23           H        SER  23  -6.855 -20.784   3.851
  260    HA   SER  23           HA       SER  23  -4.278 -19.881   3.495
  261    HB2  SER  23           HB2      SER  23  -5.163 -22.693   4.239
  262    HB3  SER  23           HB3      SER  23  -3.545 -22.014   4.508
  263    HG   SER  23           HG       SER  23  -4.883 -21.813   6.364
  264    H    GLN  24           H        GLN  24  -2.703 -20.036   2.100
  265    HA   GLN  24           HA       GLN  24  -2.475 -22.213   0.108
  266    HB2  GLN  24           HB2      GLN  24  -2.441 -20.761  -1.722
  267    HB3  GLN  24           HB3      GLN  24  -3.879 -20.317  -0.831
  268    HG2  GLN  24           HG2      GLN  24  -1.248 -18.750  -0.685
  269    HG3  GLN  24           HG3      GLN  24  -2.497 -18.465  -1.869
  270   HE21  GLN  24          HE21      GLN  24  -3.517 -16.588  -1.377
  271   HE22  GLN  24          HE22      GLN  24  -4.103 -16.191   0.247
  272    H    ILE  25           H        ILE  25  -0.371 -21.988  -1.148
  273    HA   ILE  25           HA       ILE  25   1.843 -21.643   0.667
  274    HB   ILE  25           HB       ILE  25   3.275 -22.101  -1.306
  275   HG12  ILE  25          HG12      ILE  25   0.677 -22.527  -2.860
  276   HG13  ILE  25          HG13      ILE  25   1.722 -21.119  -3.053
  277   HG21  ILE  25          HG21      ILE  25   2.656 -24.454  -1.427
  278   HG22  ILE  25          HG22      ILE  25   2.358 -23.861   0.205
  279   HG23  ILE  25          HG23      ILE  25   0.996 -24.093  -0.912
  280   HD11  ILE  25          HD11      ILE  25   2.212 -22.678  -4.813
  281   HD12  ILE  25          HD12      ILE  25   3.608 -22.607  -3.719
  282   HD13  ILE  25          HD13      ILE  25   2.490 -23.994  -3.665
  283    HA   PRO  26           HA       PRO  26   2.824 -17.358   0.085
  284    HB2  PRO  26           HB2      PRO  26   5.717 -18.203   0.052
  285    HB3  PRO  26           HB3      PRO  26   4.928 -16.915   1.017
  286    HG2  PRO  26           HG2      PRO  26   5.532 -19.282   2.171
  287    HG3  PRO  26           HG3      PRO  26   3.933 -18.527   2.484
  288    HD2  PRO  26           HD2      PRO  26   4.613 -20.731   0.509
  289    HD3  PRO  26           HD3      PRO  26   3.279 -20.638   1.700
  290    H    ALA  27           H        ALA  27   3.906 -15.763  -1.291
  291    HA   ALA  27           HA       ALA  27   3.834 -16.287  -4.087
  292    HB1  ALA  27           HB1      ALA  27   5.148 -14.013  -2.534
  293    HB2  ALA  27           HB2      ALA  27   4.756 -14.002  -4.266
  294    HB3  ALA  27           HB3      ALA  27   3.451 -14.072  -3.065
  295    H    SER  28           H        SER  28   5.548 -16.168  -5.652
  296    HA   SER  28           HA       SER  28   7.534 -18.117  -5.209
  297    HB2  SER  28           HB2      SER  28   6.569 -17.675  -7.395
  298    HB3  SER  28           HB3      SER  28   7.310 -16.063  -7.426
  299    HG   SER  28           HG       SER  28   8.577 -17.474  -8.582
  300    H    GLU  29           H        GLU  29   9.482 -18.102  -4.362
  301    HA   GLU  29           HA       GLU  29  10.858 -15.749  -3.439
  302    HB2  GLU  29           HB2      GLU  29  10.952 -17.926  -2.312
  303    HB3  GLU  29           HB3      GLU  29  11.662 -18.666  -3.737
  304    HG2  GLU  29           HG2      GLU  29  13.320 -18.392  -2.025
  305    HG3  GLU  29           HG3      GLU  29  13.746 -17.433  -3.424
  306    H    GLN  30           H        GLN  30  10.756 -17.189  -6.550
  307    HA   GLN  30           HA       GLN  30  13.422 -16.528  -7.470
  308    HB2  GLN  30           HB2      GLN  30  10.844 -17.075  -8.980
  309    HB3  GLN  30           HB3      GLN  30  12.434 -16.950  -9.725
  310    HG2  GLN  30           HG2      GLN  30  13.250 -18.920  -8.638
  311    HG3  GLN  30           HG3      GLN  30  11.881 -18.990  -7.529
  312   HE21  GLN  30          HE21      GLN  30   9.660 -19.357  -8.521
  313   HE22  GLN  30          HE22      GLN  30   9.596 -20.344  -9.979
  314    H    GLU  31           H        GLU  31  10.524 -14.671  -7.088
  315    HA   GLU  31           HA       GLU  31   9.902 -12.557  -7.395
  316    HB2  GLU  31           HB2      GLU  31  12.885 -12.064  -7.485
  317    HB3  GLU  31           HB3      GLU  31  11.720 -10.781  -7.435
  318    HG2  GLU  31           HG2      GLU  31  12.001 -12.948  -5.316
  319    HG3  GLU  31           HG3      GLU  31  12.718 -11.348  -5.237
  320    H    THR  32           H        THR  32   9.031 -11.201  -8.835
  321    HA   THR  32           HA       THR  32  10.184 -10.976 -11.523
  322    HB   THR  32           HB       THR  32   7.270 -11.484 -11.548
  323    HG1  THR  32           HG1      THR  32   7.598 -13.674 -11.791
  324   HG21  THR  32          HG21      THR  32   7.806 -12.432 -13.759
  325   HG22  THR  32          HG22      THR  32   9.538 -12.157 -13.466
  326   HG23  THR  32          HG23      THR  32   8.417 -10.780 -13.606
  327    H    LEU  33           H        LEU  33  10.130  -9.091 -12.469
  328    HA   LEU  33           HA       LEU  33   9.063  -6.816 -11.012
  329    HB2  LEU  33           HB2      LEU  33  10.390  -6.946 -13.742
  330    HB3  LEU  33           HB3      LEU  33  10.108  -5.480 -12.812
  331    HG   LEU  33           HG       LEU  33  11.931  -7.760 -11.911
  332   HD11  LEU  33          HD11      LEU  33  12.794  -6.666 -13.928
  333   HD12  LEU  33          HD12      LEU  33  13.771  -6.235 -12.516
  334   HD13  LEU  33          HD13      LEU  33  12.599  -5.070 -13.174
  335   HD21  LEU  33          HD21      LEU  33  11.626  -4.915 -10.853
  336   HD22  LEU  33          HD22      LEU  33  12.793  -6.133 -10.293
  337   HD23  LEU  33          HD23      LEU  33  11.067  -6.383 -10.025
  338    H    VAL  34           H        VAL  34   7.546  -5.331 -11.616
  339    HA   VAL  34           HA       VAL  34   5.589  -6.135 -13.730
  340    HB   VAL  34           HB       VAL  34   3.796  -5.691 -12.401
  341   HG11  VAL  34          HG11      VAL  34   5.788  -6.686 -10.340
  342   HG12  VAL  34          HG12      VAL  34   4.037  -6.986 -10.401
  343   HG13  VAL  34          HG13      VAL  34   5.095  -7.705 -11.629
  344   HG21  VAL  34          HG21      VAL  34   5.565  -4.188 -10.435
  345   HG22  VAL  34          HG22      VAL  34   4.283  -3.509 -11.455
  346   HG23  VAL  34          HG23      VAL  34   3.878  -4.622 -10.144
  347    H    ARG  35           H        ARG  35   7.437  -3.544 -12.651
  348    HA   ARG  35           HA       ARG  35   7.561  -1.326 -12.952
  349    HB2  ARG  35           HB2      ARG  35   8.173  -1.984 -15.170
  350    HB3  ARG  35           HB3      ARG  35   6.497  -2.078 -15.677
  351    HG2  ARG  35           HG2      ARG  35   7.605  -0.103 -16.556
  352    HG3  ARG  35           HG3      ARG  35   6.228   0.319 -15.551
  353    HD2  ARG  35           HD2      ARG  35   7.776   0.912 -13.687
  354    HD3  ARG  35           HD3      ARG  35   9.158   0.507 -14.732
  355    HE   ARG  35           HE       ARG  35   7.565   2.326 -16.166
  356   HH11  ARG  35          HH21      ARG  35   9.528   2.506 -13.242
  357   HH12  ARG  35          HH22      ARG  35   9.662   4.240 -13.376
  358   HH21  ARG  35          HH11      ARG  35   7.847   4.507 -16.269
  359   HH22  ARG  35          HH12      ARG  35   8.778   5.326 -15.051
  360    HA   PRO  36           HA       PRO  36   3.248  -0.417 -11.629
  361    HB2  PRO  36           HB2      PRO  36   3.909   1.113  -9.433
  362    HB3  PRO  36           HB3      PRO  36   3.824  -0.677  -9.411
  363    HG2  PRO  36           HG2      PRO  36   6.261   1.086  -9.716
  364    HG3  PRO  36           HG3      PRO  36   6.032  -0.351  -8.660
  365    HD2  PRO  36           HD2      PRO  36   7.291  -0.493 -11.064
  366    HD3  PRO  36           HD3      PRO  36   6.267  -1.835 -10.468
  367    H    LYS  37           H        LYS  37   2.049   1.658 -11.446
  368    HA   LYS  37           HA       LYS  37   2.589   3.631 -13.311
  369    HB2  LYS  37           HB2      LYS  37   0.398   3.153 -12.624
  370    HB3  LYS  37           HB3      LYS  37   0.811   3.155 -10.901
  371    HG2  LYS  37           HG2      LYS  37   0.989   5.465 -10.799
  372    HG3  LYS  37           HG3      LYS  37   0.961   5.617 -12.567
  373    HD2  LYS  37           HD2      LYS  37  -1.150   6.385 -11.570
  374    HD3  LYS  37           HD3      LYS  37  -1.400   4.995 -12.631
  375    HE2  LYS  37           HE2      LYS  37  -1.611   3.491 -10.735
  376    HE3  LYS  37           HE3      LYS  37  -1.140   4.762  -9.596
  377    HZ1  LYS  37           HZ1      LYS  37  -3.562   4.954 -11.315
  378    HZ2  LYS  37           HZ2      LYS  37  -3.167   5.943 -10.094
  379    HZ3  LYS  37           HZ3      LYS  37  -3.606   4.402  -9.768
  380    HA   PRO  38           HA       PRO  38   5.701   6.163 -11.358
  381    HB2  PRO  38           HB2      PRO  38   4.122   8.461 -12.535
  382    HB3  PRO  38           HB3      PRO  38   5.898   8.212 -12.503
  383    HG2  PRO  38           HG2      PRO  38   4.524   7.600 -14.737
  384    HG3  PRO  38           HG3      PRO  38   5.745   6.437 -14.118
  385    HD2  PRO  38           HD2      PRO  38   2.738   6.365 -13.786
  386    HD3  PRO  38           HD3      PRO  38   3.870   5.042 -14.204
  387    H    LEU  39           H        LEU  39   2.307   7.221 -10.873
  388    HA   LEU  39           HA       LEU  39   2.766   8.744  -8.504
  389    HB2  LEU  39           HB2      LEU  39   0.734   8.761 -10.042
  390    HB3  LEU  39           HB3      LEU  39   0.251   7.232  -9.308
  391    HG   LEU  39           HG       LEU  39   0.178   8.420  -7.065
  392   HD11  LEU  39          HD11      LEU  39   0.508  10.888  -8.834
  393   HD12  LEU  39          HD12      LEU  39   1.611  10.362  -7.539
  394   HD13  LEU  39          HD13      LEU  39  -0.019  10.910  -7.140
  395   HD21  LEU  39          HD21      LEU  39  -1.854   8.006  -8.401
  396   HD22  LEU  39          HD22      LEU  39  -1.607   9.543  -9.258
  397   HD23  LEU  39          HD23      LEU  39  -1.960   9.532  -7.514
  398    H    LEU  40           H        LEU  40   2.285   5.244  -8.950
  399    HA   LEU  40           HA       LEU  40   2.130   4.645  -6.094
  400    HB2  LEU  40           HB2      LEU  40   1.041   3.197  -7.728
  401    HB3  LEU  40           HB3      LEU  40   2.541   2.954  -8.594
  402    HG   LEU  40           HG       LEU  40   3.516   1.701  -6.749
  403   HD11  LEU  40          HD11      LEU  40   2.060   1.036  -4.804
  404   HD12  LEU  40          HD12      LEU  40   0.868   2.244  -5.341
  405   HD13  LEU  40          HD13      LEU  40   2.479   2.753  -4.802
  406   HD21  LEU  40          HD21      LEU  40   0.750   0.550  -7.086
  407   HD22  LEU  40          HD22      LEU  40   2.318  -0.266  -7.080
  408   HD23  LEU  40          HD23      LEU  40   1.827   0.683  -8.485
  409    H    LEU  41           H        LEU  41   4.607   4.493  -8.660
  410    HA   LEU  41           HA       LEU  41   6.782   3.580  -7.101
  411    HB2  LEU  41           HB2      LEU  41   6.797   3.706  -9.524
  412    HB3  LEU  41           HB3      LEU  41   6.635   5.459  -9.477
  413    HG   LEU  41           HG       LEU  41   8.860   5.716  -8.524
  414   HD11  LEU  41          HD11      LEU  41   9.211   3.735  -7.194
  415   HD12  LEU  41          HD12      LEU  41  10.357   3.629  -8.538
  416   HD13  LEU  41          HD13      LEU  41   8.869   2.673  -8.587
  417   HD21  LEU  41          HD21      LEU  41   8.557   5.614 -10.974
  418   HD22  LEU  41          HD22      LEU  41   8.832   3.855 -10.930
  419   HD23  LEU  41          HD23      LEU  41  10.139   4.981 -10.485
  420    H    LYS  42           H        LYS  42   5.582   6.937  -7.476
  421    HA   LYS  42           HA       LYS  42   7.459   8.250  -5.805
  422    HB2  LYS  42           HB2      LYS  42   5.799   9.347  -7.288
  423    HB3  LYS  42           HB3      LYS  42   4.492   8.794  -6.246
  424    HG2  LYS  42           HG2      LYS  42   5.542  10.156  -4.353
  425    HG3  LYS  42           HG3      LYS  42   6.621  10.852  -5.562
  426    HD2  LYS  42           HD2      LYS  42   3.569  10.933  -5.526
  427    HD3  LYS  42           HD3      LYS  42   4.625  12.267  -5.075
  428    HE2  LYS  42           HE2      LYS  42   4.407  11.031  -7.858
  429    HE3  LYS  42           HE3      LYS  42   3.598  12.505  -7.326
  430    HZ1  LYS  42           HZ1      LYS  42   5.790  13.510  -6.955
  431    HZ2  LYS  42           HZ2      LYS  42   5.639  13.036  -8.506
  432    HZ3  LYS  42           HZ3      LYS  42   6.550  12.158  -7.477
  433    H    LEU  43           H        LEU  43   4.549   6.402  -4.874
  434    HA   LEU  43           HA       LEU  43   4.543   7.029  -2.077
  435    HB2  LEU  43           HB2      LEU  43   2.772   5.820  -3.561
  436    HB3  LEU  43           HB3      LEU  43   3.724   4.369  -3.299
  437    HG   LEU  43           HG       LEU  43   1.832   4.356  -1.885
  438   HD11  LEU  43          HD11      LEU  43   3.938   3.379  -0.987
  439   HD12  LEU  43          HD12      LEU  43   2.777   3.913   0.242
  440   HD13  LEU  43          HD13      LEU  43   4.196   4.899  -0.088
  441   HD21  LEU  43          HD21      LEU  43   2.808   6.933  -0.627
  442   HD22  LEU  43          HD22      LEU  43   1.414   5.953  -0.137
  443   HD23  LEU  43          HD23      LEU  43   1.407   6.747  -1.714
  444    H    LEU  44           H        LEU  44   6.142   4.388  -3.911
  445    HA   LEU  44           HA       LEU  44   7.529   3.249  -1.673
  446    HB2  LEU  44           HB2      LEU  44   8.650   3.155  -4.470
  447    HB3  LEU  44           HB3      LEU  44   8.703   1.926  -3.210
  448    HG   LEU  44           HG       LEU  44   6.284   2.725  -4.858
  449   HD11  LEU  44          HD11      LEU  44   6.491   0.572  -5.919
  450   HD12  LEU  44          HD12      LEU  44   7.925   0.182  -4.934
  451   HD13  LEU  44          HD13      LEU  44   7.983   1.497  -6.124
  452   HD21  LEU  44          HD21      LEU  44   6.476   0.354  -2.988
  453   HD22  LEU  44          HD22      LEU  44   5.051   0.956  -3.847
  454   HD23  LEU  44          HD23      LEU  44   5.723   1.887  -2.507
  455    H    LYS  45           H        LYS  45   8.515   5.776  -4.004
  456    HA   LYS  45           HA       LYS  45  11.107   6.219  -2.789
  457    HB2  LYS  45           HB2      LYS  45   9.450   7.697  -4.833
  458    HB3  LYS  45           HB3      LYS  45  10.974   8.376  -4.215
  459    HG2  LYS  45           HG2      LYS  45  12.216   6.435  -4.850
  460    HG3  LYS  45           HG3      LYS  45  10.744   5.535  -5.280
  461    HD2  LYS  45           HD2      LYS  45  10.301   7.272  -7.049
  462    HD3  LYS  45           HD3      LYS  45  11.939   7.915  -6.751
  463    HE2  LYS  45           HE2      LYS  45  11.144   5.098  -7.498
  464    HE3  LYS  45           HE3      LYS  45  11.806   6.279  -8.639
  465    HZ1  LYS  45           HZ1      LYS  45  13.469   4.660  -7.788
  466    HZ2  LYS  45           HZ2      LYS  45  13.263   5.190  -6.270
  467    HZ3  LYS  45           HZ3      LYS  45  13.902   6.201  -7.401
  468    H    SER  46           H        SER  46   7.982   7.422  -1.864
  469    HA   SER  46           HA       SER  46   8.931   9.511  -0.108
  470    HB2  SER  46           HB2      SER  46   6.431   7.785   0.116
  471    HB3  SER  46           HB3      SER  46   6.773   9.245   1.047
  472    HG   SER  46           HG       SER  46   6.584   9.084  -1.795
  473    H    VAL  47           H        VAL  47   9.113   6.046   0.114
  474    HA   VAL  47           HA       VAL  47  10.387   6.305   2.795
  475    HB   VAL  47           HB       VAL  47   9.899   4.026   3.298
  476   HG11  VAL  47          HG11      VAL  47   7.529   4.180   3.659
  477   HG12  VAL  47          HG12      VAL  47   8.243   5.785   3.889
  478   HG13  VAL  47          HG13      VAL  47   7.351   5.419   2.397
  479   HG21  VAL  47          HG21      VAL  47   8.248   3.844   0.747
  480   HG22  VAL  47          HG22      VAL  47   9.845   3.099   0.959
  481   HG23  VAL  47          HG23      VAL  47   8.485   2.593   1.977
  482    H    GLY  48           H        GLY  48  11.428   6.594  -0.094
  483    HA2  GLY  48           HA2      GLY  48  13.621   6.689  -0.721
  484    HA3  GLY  48           HA3      GLY  48  14.073   5.732   0.683
  485    H    ALA  49           H        ALA  49  11.774   4.402  -1.731
  486    HA   ALA  49           HA       ALA  49  13.413   2.113  -2.183
  487    HB1  ALA  49           HB1      ALA  49  11.073   3.151  -3.821
  488    HB2  ALA  49           HB2      ALA  49  11.593   1.457  -3.595
  489    HB3  ALA  49           HB3      ALA  49  10.908   2.334  -2.243
  490    H    GLN  50           H        GLN  50  15.193   1.928  -3.436
  491    HA   GLN  50           HA       GLN  50  16.179   4.194  -4.875
  492    HB2  GLN  50           HB2      GLN  50  17.285   1.381  -4.567
  493    HB3  GLN  50           HB3      GLN  50  18.161   2.743  -5.282
  494    HG2  GLN  50           HG2      GLN  50  17.908   4.019  -3.153
  495    HG3  GLN  50           HG3      GLN  50  17.117   2.625  -2.415
  496   HE21  GLN  50          HE21      GLN  50  19.192   3.385  -0.994
  497   HE22  GLN  50          HE22      GLN  50  20.605   2.384  -1.302
  498    H    LYS  51           H        LYS  51  15.024   1.065  -6.134
  499    HA   LYS  51           HA       LYS  51  15.921   1.458  -8.874
  500    HB2  LYS  51           HB2      LYS  51  13.725  -0.391  -7.870
  501    HB3  LYS  51           HB3      LYS  51  14.641  -0.540  -9.361
  502    HG2  LYS  51           HG2      LYS  51  16.713  -0.956  -8.027
  503    HG3  LYS  51           HG3      LYS  51  15.739  -0.954  -6.547
  504    HD2  LYS  51           HD2      LYS  51  15.318  -2.824  -8.919
  505    HD3  LYS  51           HD3      LYS  51  16.195  -3.249  -7.443
  506    HE2  LYS  51           HE2      LYS  51  14.194  -3.006  -6.083
  507    HE3  LYS  51           HE3      LYS  51  13.283  -2.342  -7.445
  508    HZ1  LYS  51           HZ1      LYS  51  12.773  -4.678  -7.115
  509    HZ2  LYS  51           HZ2      LYS  51  14.330  -5.109  -7.329
  510    HZ3  LYS  51           HZ3      LYS  51  13.474  -4.446  -8.574
  511    H    ASP  52           H        ASP  52  14.312   1.247 -10.693
  512    HA   ASP  52           HA       ASP  52  11.845   2.848 -10.303
  513    HB2  ASP  52           HB2      ASP  52  12.003   3.451 -12.723
  514    HB3  ASP  52           HB3      ASP  52  13.139   4.189 -11.608
  515    H    THR  53           H        THR  53  12.670  -0.246 -10.584
  516    HA   THR  53           HA       THR  53  10.008  -1.049 -11.700
  517    HB   THR  53           HB       THR  53  11.332  -3.172 -12.467
  518    HG1  THR  53           HG1      THR  53  13.446  -2.677 -13.188
  519   HG21  THR  53          HG21      THR  53  11.638  -0.587 -14.032
  520   HG22  THR  53          HG22      THR  53  10.219  -1.662 -14.020
  521   HG23  THR  53          HG23      THR  53  11.753  -2.241 -14.684
  522    H    TYR  54           H        TYR  54   9.076  -2.667 -10.536
  523    HA   TYR  54           HA       TYR  54  10.475  -3.878  -8.238
  524    HB2  TYR  54           HB2      TYR  54   8.050  -2.069  -8.056
  525    HB3  TYR  54           HB3      TYR  54   8.558  -3.147  -6.769
  526    HD1  TYR  54           HD1      TYR  54  10.854  -2.907  -5.731
  527    HD2  TYR  54           HD2      TYR  54   9.150   0.060  -8.356
  528    HE1  TYR  54           HE1      TYR  54  12.522  -1.232  -4.924
  529    HE2  TYR  54           HE2      TYR  54  10.844   1.719  -7.542
  530    HH   TYR  54           HH       TYR  54  12.720   2.006  -6.383
  531    H    THR  55           H        THR  55   9.455  -5.616  -7.185
  532    HA   THR  55           HA       THR  55   7.428  -7.056  -8.780
  533    HB   THR  55           HB       THR  55   7.860  -8.990  -7.737
  534    HG1  THR  55           HG1      THR  55   8.878  -9.171  -5.749
  535   HG21  THR  55          HG21      THR  55  10.175  -9.366  -7.719
  536   HG22  THR  55          HG22      THR  55  10.565  -7.708  -7.233
  537   HG23  THR  55          HG23      THR  55   9.963  -8.054  -8.870
  538    H    MET  56           H        MET  56   5.419  -8.012  -7.763
  539    HA   MET  56           HA       MET  56   3.917  -6.027  -6.394
  540    HB2  MET  56           HB2      MET  56   3.437  -9.041  -6.423
  541    HB3  MET  56           HB3      MET  56   2.281  -7.792  -5.934
  542    HG2  MET  56           HG2      MET  56   2.697  -6.778  -8.300
  543    HG3  MET  56           HG3      MET  56   3.371  -8.338  -8.698
  544    HE1  MET  56           HE1      MET  56   0.578  -6.203  -8.819
  545    HE2  MET  56           HE2      MET  56  -0.902  -7.067  -8.300
  546    HE3  MET  56           HE3      MET  56   0.351  -6.606  -7.108
  547    H    LYS  57           H        LYS  57   5.882  -8.667  -5.048
  548    HA   LYS  57           HA       LYS  57   5.174  -8.271  -2.241
  549    HB2  LYS  57           HB2      LYS  57   6.015 -10.361  -3.076
  550    HB3  LYS  57           HB3      LYS  57   7.478  -9.626  -3.703
  551    HG2  LYS  57           HG2      LYS  57   6.817  -9.613  -0.729
  552    HG3  LYS  57           HG3      LYS  57   7.564 -10.983  -1.541
  553    HD2  LYS  57           HD2      LYS  57   9.333  -9.204  -2.396
  554    HD3  LYS  57           HD3      LYS  57   8.725  -8.229  -1.060
  555    HE2  LYS  57           HE2      LYS  57  10.683  -9.405  -0.340
  556    HE3  LYS  57           HE3      LYS  57   9.290 -10.052   0.533
  557    HZ1  LYS  57           HZ1      LYS  57  10.875 -11.759  -0.413
  558    HZ2  LYS  57           HZ2      LYS  57  10.390 -11.326  -1.926
  559    HZ3  LYS  57           HZ3      LYS  57   9.326 -11.981  -0.882
  560    H    GLU  58           H        GLU  58   7.804  -6.952  -4.331
  561    HA   GLU  58           HA       GLU  58   8.980  -5.398  -2.199
  562    HB2  GLU  58           HB2      GLU  58   9.036  -5.065  -5.206
  563    HB3  GLU  58           HB3      GLU  58   9.961  -4.069  -4.073
  564    HG2  GLU  58           HG2      GLU  58  11.182  -5.984  -3.237
  565    HG3  GLU  58           HG3      GLU  58  10.227  -7.096  -4.220
  566    H    VAL  59           H        VAL  59   6.465  -4.538  -4.624
  567    HA   VAL  59           HA       VAL  59   6.106  -1.817  -3.790
  568    HB   VAL  59           HB       VAL  59   4.077  -3.732  -5.010
  569   HG11  VAL  59          HG11      VAL  59   3.976  -0.698  -5.025
  570   HG12  VAL  59          HG12      VAL  59   2.768  -1.857  -5.627
  571   HG13  VAL  59          HG13      VAL  59   3.050  -1.698  -3.898
  572   HG21  VAL  59          HG21      VAL  59   5.768  -1.557  -6.336
  573   HG22  VAL  59          HG22      VAL  59   6.073  -3.281  -6.493
  574   HG23  VAL  59          HG23      VAL  59   4.579  -2.603  -7.140
  575    H    LEU  60           H        LEU  60   4.277  -4.793  -2.805
  576    HA   LEU  60           HA       LEU  60   2.707  -3.554  -0.782
  577    HB2  LEU  60           HB2      LEU  60   3.756  -6.375  -1.152
  578    HB3  LEU  60           HB3      LEU  60   2.715  -5.941   0.199
  579    HG   LEU  60           HG       LEU  60   1.870  -5.565  -2.700
  580   HD11  LEU  60          HD11      LEU  60   2.336  -7.969  -2.164
  581   HD12  LEU  60          HD12      LEU  60   0.620  -7.647  -2.461
  582   HD13  LEU  60          HD13      LEU  60   1.206  -7.859  -0.798
  583   HD21  LEU  60          HD21      LEU  60   0.560  -4.218  -1.125
  584   HD22  LEU  60          HD22      LEU  60   0.334  -5.625  -0.064
  585   HD23  LEU  60          HD23      LEU  60  -0.411  -5.590  -1.673
  586    H    PHE  61           H        PHE  61   5.974  -5.094  -0.474
  587    HA   PHE  61           HA       PHE  61   6.327  -4.705   2.258
  588    HB2  PHE  61           HB2      PHE  61   7.865  -6.072   1.116
  589    HB3  PHE  61           HB3      PHE  61   8.248  -4.823  -0.036
  590    HD1  PHE  61           HD2      PHE  61   8.908  -6.014   3.394
  591    HD2  PHE  61           HD1      PHE  61   9.883  -3.085   0.378
  592    HE1  PHE  61           HE2      PHE  61  10.933  -5.363   4.676
  593    HE2  PHE  61           HE1      PHE  61  11.903  -2.439   1.663
  594    HZ   PHE  61           HZ       PHE  61  12.438  -3.583   3.806
  595    H    TYR  62           H        TYR  62   7.367  -2.448  -0.221
  596    HA   TYR  62           HA       TYR  62   8.062  -0.362   1.616
  597    HB2  TYR  62           HB2      TYR  62   7.599  -0.385  -1.338
  598    HB3  TYR  62           HB3      TYR  62   7.927   1.114  -0.482
  599    HD1  TYR  62           HD2      TYR  62  10.069   0.802   1.290
  600    HD2  TYR  62           HD1      TYR  62   9.438  -1.249  -2.456
  601    HE1  TYR  62           HE2      TYR  62  12.522   0.518   1.028
  602    HE2  TYR  62           HE1      TYR  62  11.882  -1.577  -2.687
  603    HH   TYR  62           HH       TYR  62  13.956  -1.248  -1.742
  604    H    LEU  63           H        LEU  63   4.957  -0.896  -0.069
  605    HA   LEU  63           HA       LEU  63   3.717   1.503   0.852
  606    HB2  LEU  63           HB2      LEU  63   2.852   0.244  -1.007
  607    HB3  LEU  63           HB3      LEU  63   2.688  -1.215  -0.030
  608    HG   LEU  63           HG       LEU  63   0.873  -0.246   1.260
  609   HD11  LEU  63          HD11      LEU  63   1.552   2.148   1.228
  610   HD12  LEU  63          HD12      LEU  63  -0.105   1.908   0.709
  611   HD13  LEU  63          HD13      LEU  63   1.163   2.218  -0.506
  612   HD21  LEU  63          HD21      LEU  63   0.464   0.214  -1.729
  613   HD22  LEU  63          HD22      LEU  63  -0.802  -0.087  -0.524
  614   HD23  LEU  63          HD23      LEU  63   0.365  -1.357  -0.916
  615    H    GLY  64           H        GLY  64   3.944  -1.773   2.322
  616    HA2  GLY  64           HA2      GLY  64   2.436  -1.237   4.688
  617    HA3  GLY  64           HA3      GLY  64   3.728  -2.431   4.519
  618    H    GLN  65           H        GLN  65   5.979  -0.828   4.027
  619    HA   GLN  65           HA       GLN  65   6.619   0.352   6.560
  620    HB2  GLN  65           HB2      GLN  65   7.921   0.629   3.823
  621    HB3  GLN  65           HB3      GLN  65   8.548   1.374   5.295
  622    HG2  GLN  65           HG2      GLN  65   8.610  -0.901   6.368
  623    HG3  GLN  65           HG3      GLN  65   8.221  -1.616   4.808
  624   HE21  GLN  65          HE21      GLN  65  10.651  -2.106   6.336
  625   HE22  GLN  65          HE22      GLN  65  11.977  -1.489   5.361
  626    H    TYR  66           H        TYR  66   5.234   1.856   3.615
  627    HA   TYR  66           HA       TYR  66   5.483   4.547   4.601
  628    HB2  TYR  66           HB2      TYR  66   5.313   4.195   2.258
  629    HB3  TYR  66           HB3      TYR  66   3.797   3.347   2.428
  630    HD1  TYR  66           HD1      TYR  66   1.668   4.537   2.882
  631    HD2  TYR  66           HD2      TYR  66   5.393   6.632   2.314
  632    HE1  TYR  66           HE1      TYR  66   0.428   6.673   2.542
  633    HE2  TYR  66           HE2      TYR  66   4.156   8.740   1.905
  634    HH   TYR  66           HH       TYR  66   2.079   9.699   1.606
  635    H    ILE  67           H        ILE  67   2.715   2.306   4.594
  636    HA   ILE  67           HA       ILE  67   0.912   3.965   6.057
  637    HB   ILE  67           HB       ILE  67   1.139   0.946   5.816
  638   HG12  ILE  67          HG12      ILE  67  -0.892   2.741   4.437
  639   HG13  ILE  67          HG13      ILE  67   0.691   2.443   3.724
  640   HG21  ILE  67          HG21      ILE  67  -0.183   1.302   7.782
  641   HG22  ILE  67          HG22      ILE  67  -1.050   2.658   7.055
  642   HG23  ILE  67          HG23      ILE  67  -1.350   1.013   6.495
  643   HD11  ILE  67          HD11      ILE  67   0.301   0.020   3.687
  644   HD12  ILE  67          HD12      ILE  67  -1.322   0.259   4.377
  645   HD13  ILE  67          HD13      ILE  67  -0.935   0.906   2.778
  646    H    MET  68           H        MET  68   3.353   1.624   7.190
  647    HA   MET  68           HA       MET  68   2.911   1.845   9.988
  648    HB2  MET  68           HB2      MET  68   4.249   0.085   8.954
  649    HB3  MET  68           HB3      MET  68   5.426   1.277   8.392
  650    HG2  MET  68           HG2      MET  68   5.845   1.862  10.838
  651    HG3  MET  68           HG3      MET  68   4.881   0.447  11.256
  652    HE1  MET  68           HE1      MET  68   5.746  -1.728   9.043
  653    HE2  MET  68           HE2      MET  68   7.110  -2.498   9.876
  654    HE3  MET  68           HE3      MET  68   5.655  -2.056  10.791
  655    H    THR  69           H        THR  69   5.405   3.596   8.001
  656    HA   THR  69           HA       THR  69   6.176   5.220  10.200
  657    HB   THR  69           HB       THR  69   7.540   4.605   8.156
  658    HG1  THR  69           HG1      THR  69   8.800   6.411   8.516
  659   HG21  THR  69          HG21      THR  69   7.697   6.246   6.381
  660   HG22  THR  69          HG22      THR  69   6.427   7.254   7.108
  661   HG23  THR  69          HG23      THR  69   6.032   5.656   6.442
  662    H    LYS  70           H        LYS  70   3.762   5.870   7.748
  663    HA   LYS  70           HA       LYS  70   3.172   8.588   8.694
  664    HB2  LYS  70           HB2      LYS  70   1.810   6.646   6.803
  665    HB3  LYS  70           HB3      LYS  70   1.210   8.268   7.105
  666    HG2  LYS  70           HG2      LYS  70   4.076   7.911   6.179
  667    HG3  LYS  70           HG3      LYS  70   2.772   7.690   5.029
  668    HD2  LYS  70           HD2      LYS  70   3.127  10.225   6.682
  669    HD3  LYS  70           HD3      LYS  70   3.756   9.982   5.041
  670    HE2  LYS  70           HE2      LYS  70   1.408   9.444   4.281
  671    HE3  LYS  70           HE3      LYS  70   0.822   9.910   5.878
  672    HZ1  LYS  70           HZ1      LYS  70   2.286  11.711   4.028
  673    HZ2  LYS  70           HZ2      LYS  70   1.673  12.144   5.485
  674    HZ3  LYS  70           HZ3      LYS  70   0.670  11.718   4.257
  675    H    ARG  71           H        ARG  71   2.311   5.480   9.827
  676    HA   ARG  71           HA       ARG  71   0.729   4.579  11.143
  677    HB2  ARG  71           HB2      ARG  71   0.742   7.285  12.529
  678    HB3  ARG  71           HB3      ARG  71   0.023   5.804  13.146
  679    HG2  ARG  71           HG2      ARG  71   1.993   5.701  14.257
  680    HG3  ARG  71           HG3      ARG  71   2.394   4.747  12.840
  681    HD2  ARG  71           HD2      ARG  71   4.238   6.219  13.302
  682    HD3  ARG  71           HD3      ARG  71   3.449   6.800  11.836
  683    HE   ARG  71           HE       ARG  71   2.668   7.999  14.445
  684   HH11  ARG  71          HH11      ARG  71   4.496   8.540  11.472
  685   HH12  ARG  71          HH12      ARG  71   4.509  10.264  11.730
  686   HH21  ARG  71          HH21      ARG  71   2.738  10.189  14.664
  687   HH22  ARG  71          HH22      ARG  71   3.556  11.161  13.478
  688    H    LEU  72           H        LEU  72  -0.351   4.972   8.830
  689    HA   LEU  72           HA       LEU  72  -2.838   6.524   8.964
  690    HB2  LEU  72           HB2      LEU  72  -1.919   4.551   6.850
  691    HB3  LEU  72           HB3      LEU  72  -3.264   5.658   6.703
  692    HG   LEU  72           HG       LEU  72  -0.357   6.453   7.019
  693   HD11  LEU  72          HD11      LEU  72  -0.500   7.160   4.678
  694   HD12  LEU  72          HD12      LEU  72  -2.167   6.552   4.582
  695   HD13  LEU  72          HD13      LEU  72  -0.815   5.424   4.836
  696   HD21  LEU  72          HD21      LEU  72  -1.189   8.727   6.360
  697   HD22  LEU  72          HD22      LEU  72  -1.777   8.191   7.938
  698   HD23  LEU  72          HD23      LEU  72  -2.851   8.117   6.520
  699    H    TYR  73           H        TYR  73  -2.106   3.501  10.236
  700    HA   TYR  73           HA       TYR  73  -4.650   2.243   9.800
  701    HB2  TYR  73           HB2      TYR  73  -4.000   0.747  11.716
  702    HB3  TYR  73           HB3      TYR  73  -3.046   0.715  10.247
  703    HD1  TYR  73           HD2      TYR  73  -0.735   1.639  10.160
  704    HD2  TYR  73           HD1      TYR  73  -3.044   1.571  13.811
  705    HE1  TYR  73           HE2      TYR  73   1.326   2.101  11.488
  706    HE2  TYR  73           HE1      TYR  73  -0.978   2.003  15.126
  707    HH   TYR  73           HH       TYR  73   1.287   2.353  15.057
  708    H    ASP  74           H        ASP  74  -6.427   1.880  11.167
  709    HA   ASP  74           HA       ASP  74  -7.272   4.127  12.740
  710    HB2  ASP  74           HB2      ASP  74  -8.954   2.946  11.710
  711    HB3  ASP  74           HB3      ASP  74  -8.400   1.399  12.299
  712    H    GLU  75           H        GLU  75  -7.100   4.638  14.857
  713    HA   GLU  75           HA       GLU  75  -5.153   3.373  16.526
  714    HB2  GLU  75           HB2      GLU  75  -5.918   4.876  18.257
  715    HB3  GLU  75           HB3      GLU  75  -5.719   5.727  16.721
  716    HG2  GLU  75           HG2      GLU  75  -8.198   5.630  16.381
  717    HG3  GLU  75           HG3      GLU  75  -8.363   4.832  17.950
  718    H    LYS  76           H        LYS  76  -8.592   2.746  16.142
  719    HA   LYS  76           HA       LYS  76  -8.619   0.830  18.422
  720    HB2  LYS  76           HB2      LYS  76 -10.827   1.453  16.426
  721    HB3  LYS  76           HB3      LYS  76 -10.968   0.476  17.875
  722    HG2  LYS  76           HG2      LYS  76 -10.446   3.474  17.709
  723    HG3  LYS  76           HG3      LYS  76 -11.930   2.693  18.208
  724    HD2  LYS  76           HD2      LYS  76  -9.269   2.659  19.701
  725    HD3  LYS  76           HD3      LYS  76 -10.690   3.591  20.134
  726    HE2  LYS  76           HE2      LYS  76 -10.538   0.540  20.111
  727    HE3  LYS  76           HE3      LYS  76 -10.350   1.557  21.538
  728    HZ1  LYS  76           HZ1      LYS  76 -12.820   1.400  19.890
  729    HZ2  LYS  76           HZ2      LYS  76 -12.625   2.362  21.197
  730    HZ3  LYS  76           HZ3      LYS  76 -12.616   0.743  21.368
  731    H    GLN  77           H        GLN  77  -9.519   0.458  14.926
  732    HA   GLN  77           HA       GLN  77  -8.796  -2.401  15.150
  733    HB2  GLN  77           HB2      GLN  77 -10.022  -0.857  12.841
  734    HB3  GLN  77           HB3      GLN  77  -9.818  -2.602  12.936
  735    HG2  GLN  77           HG2      GLN  77 -11.608  -0.897  14.714
  736    HG3  GLN  77           HG3      GLN  77 -12.131  -1.951  13.412
  737   HE21  GLN  77          HE21      GLN  77 -13.156  -2.184  16.054
  738   HE22  GLN  77          HE22      GLN  77 -12.608  -3.731  16.686
  739    H    GLN  78           H        GLN  78  -6.639  -2.696  15.132
  740    HA   GLN  78           HA       GLN  78  -4.765  -1.094  13.701
  741    HB2  GLN  78           HB2      GLN  78  -4.331  -3.969  14.600
  742    HB3  GLN  78           HB3      GLN  78  -3.121  -2.705  14.395
  743    HG2  GLN  78           HG2      GLN  78  -5.235  -2.929  16.574
  744    HG3  GLN  78           HG3      GLN  78  -3.499  -3.035  16.758
  745   HE21  GLN  78          HE21      GLN  78  -6.025  -1.008  17.386
  746   HE22  GLN  78          HE22      GLN  78  -5.150   0.503  17.373
  747    H    HIS  79           H        HIS  79  -6.743  -3.694  12.603
  748    HA   HIS  79           HA       HIS  79  -5.151  -4.300  10.210
  749    HB2  HIS  79           HB2      HIS  79  -6.677  -6.091   9.876
  750    HB3  HIS  79           HB3      HIS  79  -6.247  -6.057  11.584
  751    HD1  HIS  79           HD1      HIS  79  -8.275  -5.570  13.321
  752    HD2  HIS  79           HD2      HIS  79  -9.234  -5.578   9.225
  753    HE1  HIS  79           HE1      HIS  79 -10.814  -5.566  13.180
  754    H    ILE  80           H        ILE  80  -6.922  -1.629  10.765
  755    HA   ILE  80           HA       ILE  80  -8.037  -1.564   7.983
  756    HB   ILE  80           HB       ILE  80  -9.254  -0.252  10.437
  757   HG12  ILE  80          HG12      ILE  80 -10.132  -2.700   8.837
  758   HG13  ILE  80          HG13      ILE  80  -9.626  -2.657  10.524
  759   HG21  ILE  80          HG21      ILE  80 -10.309  -0.395   7.577
  760   HG22  ILE  80          HG22      ILE  80 -11.078   0.425   8.948
  761   HG23  ILE  80          HG23      ILE  80  -9.572   1.046   8.310
  762   HD11  ILE  80          HD11      ILE  80 -11.632  -1.186  11.015
  763   HD12  ILE  80          HD12      ILE  80 -12.203  -1.565   9.372
  764   HD13  ILE  80          HD13      ILE  80 -11.976  -2.864  10.552
  765    H    VAL  81           H        VAL  81  -7.530   0.168   6.764
  766    HA   VAL  81           HA       VAL  81  -5.714   2.218   7.934
  767    HB   VAL  81           HB       VAL  81  -5.697   1.483   5.023
  768   HG11  VAL  81          HG11      VAL  81  -3.620   2.759   6.843
  769   HG12  VAL  81          HG12      VAL  81  -3.418   2.415   5.114
  770   HG13  VAL  81          HG13      VAL  81  -4.601   3.613   5.626
  771   HG21  VAL  81          HG21      VAL  81  -5.155  -0.590   6.119
  772   HG22  VAL  81          HG22      VAL  81  -3.663   0.111   5.505
  773   HG23  VAL  81          HG23      VAL  81  -4.034   0.226   7.242
  774    H    TYR  82           H        TYR  82  -5.999   4.332   7.599
  775    HA   TYR  82           HA       TYR  82  -8.278   5.268   5.945
  776    HB2  TYR  82           HB2      TYR  82  -7.498   6.145   8.719
  777    HB3  TYR  82           HB3      TYR  82  -8.440   7.153   7.640
  778    HD1  TYR  82           HD1      TYR  82  -8.443   3.859   9.394
  779    HD2  TYR  82           HD2      TYR  82 -10.782   6.863   7.361
  780    HE1  TYR  82           HE1      TYR  82 -10.530   2.744  10.153
  781    HE2  TYR  82           HE2      TYR  82 -12.875   5.736   8.117
  782    HH   TYR  82           HH       TYR  82 -12.829   2.783  10.147
  783    H    CYS  83           H        CYS  83  -7.870   6.741   4.416
  784    HA   CYS  83           HA       CYS  83  -5.815   8.765   4.744
  785    HB2  CYS  83           HB2      CYS  83  -4.464   6.758   4.027
  786    HB3  CYS  83           HB3      CYS  83  -5.423   6.696   2.536
  787    HG   CYS  83           HG       CYS  83  -3.450   9.080   3.743
  788    H    SER  84           H        SER  84  -7.187  10.364   4.271
  789    HA   SER  84           HA       SER  84  -8.297  10.505   1.507
  790    HB2  SER  84           HB2      SER  84 -10.091  11.937   2.315
  791    HB3  SER  84           HB3      SER  84 -10.150  10.336   3.070
  792    HG   SER  84           HG       SER  84 -10.460  12.027   4.595
  793    H    ASN  85           H        ASN  85  -8.188  12.518   0.470
  794    HA   ASN  85           HA       ASN  85  -7.074  14.299  -0.323
  795    HB2  ASN  85           HB2      ASN  85  -7.274  15.214   2.564
  796    HB3  ASN  85           HB3      ASN  85  -6.965  16.264   1.185
  797   HD21  ASN  85          HD21      ASN  85  -9.228  16.312   3.097
  798   HD22  ASN  85          HD22      ASN  85 -10.651  16.200   2.068
  799    H    ASP  86           H        ASP  86  -5.290  12.106   0.459
  800    HA   ASP  86           HA       ASP  86  -2.732  13.568   0.258
  801    HB2  ASP  86           HB2      ASP  86  -3.241  13.040   2.717
  802    HB3  ASP  86           HB3      ASP  86  -3.140  11.335   2.291
  803    H    LEU  87           H        LEU  87  -0.977  11.891  -0.265
  804    HA   LEU  87           HA       LEU  87  -1.503  10.977  -2.791
  805    HB2  LEU  87           HB2      LEU  87   0.708  11.495  -1.929
  806    HB3  LEU  87           HB3      LEU  87   0.676  10.071  -0.889
  807    HG   LEU  87           HG       LEU  87   0.685   8.590  -2.870
  808   HD11  LEU  87          HD11      LEU  87  -0.429   9.986  -4.551
  809   HD12  LEU  87          HD12      LEU  87   1.182   9.535  -5.107
  810   HD13  LEU  87          HD13      LEU  87   0.894  11.174  -4.476
  811   HD21  LEU  87          HD21      LEU  87   2.866  10.709  -2.974
  812   HD22  LEU  87          HD22      LEU  87   2.973   9.055  -3.613
  813   HD23  LEU  87          HD23      LEU  87   2.824   9.318  -1.866
  814    H    LEU  88           H        LEU  88  -1.339   8.698   0.037
  815    HA   LEU  88           HA       LEU  88  -1.744   6.422  -1.614
  816    HB2  LEU  88           HB2      LEU  88  -0.730   6.322   0.602
  817    HB3  LEU  88           HB3      LEU  88  -2.251   6.784   1.357
  818    HG   LEU  88           HG       LEU  88  -3.305   4.683   0.531
  819   HD11  LEU  88          HD11      LEU  88  -1.779   2.899  -0.364
  820   HD12  LEU  88          HD12      LEU  88  -0.489   4.112  -0.503
  821   HD13  LEU  88          HD13      LEU  88  -1.973   4.236  -1.475
  822   HD21  LEU  88          HD21      LEU  88  -0.731   4.256   2.079
  823   HD22  LEU  88          HD22      LEU  88  -2.136   3.165   2.036
  824   HD23  LEU  88          HD23      LEU  88  -2.295   4.776   2.751
  825    H    GLY  89           H        GLY  89  -4.134   8.486  -0.008
  826    HA2  GLY  89           HA2      GLY  89  -6.501   6.969  -0.575
  827    HA3  GLY  89           HA3      GLY  89  -6.395   8.724  -0.365
  828    H    ASP  90           H        ASP  90  -4.544   9.174  -2.589
  829    HA   ASP  90           HA       ASP  90  -6.396   9.102  -4.838
  830    HB2  ASP  90           HB2      ASP  90  -3.609  10.216  -4.534
  831    HB3  ASP  90           HB3      ASP  90  -4.424  10.115  -6.084
  832    H    LEU  91           H        LEU  91  -3.605   7.113  -3.935
  833    HA   LEU  91           HA       LEU  91  -3.595   5.603  -6.413
  834    HB2  LEU  91           HB2      LEU  91  -2.540   5.137  -3.599
  835    HB3  LEU  91           HB3      LEU  91  -2.571   3.830  -4.758
  836    HG   LEU  91           HG       LEU  91  -0.415   4.663  -4.755
  837   HD11  LEU  91          HD11      LEU  91  -1.668   5.872  -7.254
  838   HD12  LEU  91          HD12      LEU  91  -1.360   4.130  -7.010
  839   HD13  LEU  91          HD13      LEU  91  -0.024   5.289  -7.051
  840   HD21  LEU  91          HD21      LEU  91  -0.742   6.846  -3.781
  841   HD22  LEU  91          HD22      LEU  91  -1.418   7.463  -5.310
  842   HD23  LEU  91          HD23      LEU  91   0.277   6.932  -5.216
  843    H    PHE  92           H        PHE  92  -4.999   4.809  -3.176
  844    HA   PHE  92           HA       PHE  92  -6.348   2.541  -4.306
  845    HB2  PHE  92           HB2      PHE  92  -6.404   3.756  -1.572
  846    HB3  PHE  92           HB3      PHE  92  -7.527   2.491  -2.029
  847    HD1  PHE  92           HD2      PHE  92  -6.354   0.443  -3.388
  848    HD2  PHE  92           HD1      PHE  92  -4.532   2.917  -0.382
  849    HE1  PHE  92           HE2      PHE  92  -4.767  -1.397  -2.847
  850    HE2  PHE  92           HE1      PHE  92  -2.982   1.058   0.197
  851    HZ   PHE  92           HZ       PHE  92  -3.084  -1.085  -1.046
  852    H    GLY  93           H        GLY  93  -7.468   5.809  -4.085
  853    HA2  GLY  93           HA2      GLY  93  -9.336   6.750  -5.045
  854    HA3  GLY  93           HA3      GLY  93  -9.796   5.175  -5.702
  855    H    VAL  94           H        VAL  94  -9.279   5.313  -2.277
  856    HA   VAL  94           HA       VAL  94 -12.140   5.709  -1.594
  857    HB   VAL  94           HB       VAL  94 -11.934   3.716  -0.011
  858   HG11  VAL  94          HG11      VAL  94 -12.035   3.089  -2.976
  859   HG12  VAL  94          HG12      VAL  94 -12.683   2.093  -1.656
  860   HG13  VAL  94          HG13      VAL  94 -13.380   3.692  -1.975
  861   HG21  VAL  94          HG21      VAL  94  -9.468   3.294  -0.264
  862   HG22  VAL  94          HG22      VAL  94 -10.480   1.873  -0.553
  863   HG23  VAL  94          HG23      VAL  94  -9.786   2.744  -1.927
  864    HA   PRO  95           HA       PRO  95 -10.200   7.796   1.842
  865    HB2  PRO  95           HB2      PRO  95 -12.198   7.830   3.703
  866    HB3  PRO  95           HB3      PRO  95 -12.291   8.755   2.174
  867    HG2  PRO  95           HG2      PRO  95 -13.477   6.012   2.751
  868    HG3  PRO  95           HG3      PRO  95 -14.302   7.445   2.055
  869    HD2  PRO  95           HD2      PRO  95 -13.300   5.480   0.491
  870    HD3  PRO  95           HD3      PRO  95 -13.189   7.190  -0.011
  871    H    SER  96           H        SER  96 -11.422   4.509   2.252
  872    HA   SER  96           HA       SER  96  -9.297   3.838   4.114
  873    HB2  SER  96           HB2      SER  96 -10.785   3.047   5.917
  874    HB3  SER  96           HB3      SER  96 -10.967   4.785   5.647
  875    HG   SER  96           HG       SER  96 -12.990   3.723   5.861
  876    H    PHE  97           H        PHE  97  -9.213   1.525   4.638
  877    HA   PHE  97           HA       PHE  97 -11.041  -0.332   3.316
  878    HB2  PHE  97           HB2      PHE  97  -9.429  -1.422   1.889
  879    HB3  PHE  97           HB3      PHE  97  -9.486   0.267   1.440
  880    HD1  PHE  97           HD2      PHE  97  -7.522  -2.351   3.118
  881    HD2  PHE  97           HD1      PHE  97  -7.472   1.690   1.659
  882    HE1  PHE  97           HE2      PHE  97  -5.075  -2.266   3.480
  883    HE2  PHE  97           HE1      PHE  97  -5.005   1.774   2.002
  884    HZ   PHE  97           HZ       PHE  97  -3.802  -0.233   2.906
  885    H    SER  98           H        SER  98 -10.694  -2.539   4.034
  886    HA   SER  98           HA       SER  98  -9.178  -2.857   6.564
  887    HB2  SER  98           HB2      SER  98 -11.394  -3.733   6.629
  888    HB3  SER  98           HB3      SER  98 -11.145  -4.640   5.124
  889    HG   SER  98           HG       SER  98 -10.912  -5.857   7.145
  890    H    VAL  99           H        VAL  99  -7.274  -3.809   6.702
  891    HA   VAL  99           HA       VAL  99  -5.722  -4.761   4.468
  892    HB   VAL  99           HB       VAL  99  -5.197  -5.187   7.384
  893   HG11  VAL  99          HG11      VAL  99  -3.756  -6.579   5.998
  894   HG12  VAL  99          HG12      VAL  99  -3.370  -5.179   4.957
  895   HG13  VAL  99          HG13      VAL  99  -2.818  -5.232   6.648
  896   HG21  VAL  99          HG21      VAL  99  -5.448  -2.749   6.909
  897   HG22  VAL  99          HG22      VAL  99  -3.796  -3.192   7.313
  898   HG23  VAL  99          HG23      VAL  99  -4.236  -2.902   5.615
  899    H    LYS 100           H        LYS 100  -7.708  -6.357   6.911
  900    HA   LYS 100           HA       LYS 100  -6.776  -9.044   6.342
  901    HB2  LYS 100           HB2      LYS 100  -7.676  -8.273   8.532
  902    HB3  LYS 100           HB3      LYS 100  -9.257  -8.037   7.800
  903    HG2  LYS 100           HG2      LYS 100  -9.139 -10.086   9.118
  904    HG3  LYS 100           HG3      LYS 100  -9.514 -10.437   7.434
  905    HD2  LYS 100           HD2      LYS 100  -7.234 -11.187   7.003
  906    HD3  LYS 100           HD3      LYS 100  -6.692 -10.672   8.596
  907    HE2  LYS 100           HE2      LYS 100  -8.751 -12.844   8.031
  908    HE3  LYS 100           HE3      LYS 100  -7.040 -13.128   8.365
  909    HZ1  LYS 100           HZ1      LYS 100  -8.386 -13.426  10.350
  910    HZ2  LYS 100           HZ2      LYS 100  -8.948 -11.900  10.282
  911    HZ3  LYS 100           HZ3      LYS 100  -7.359 -12.184  10.577
  912    H    GLU 101           H        GLU 101  -9.220  -7.033   4.912
  913    HA   GLU 101           HA       GLU 101 -10.521  -9.202   3.410
  914    HB2  GLU 101           HB2      GLU 101 -10.770  -6.178   3.290
  915    HB3  GLU 101           HB3      GLU 101 -11.691  -7.299   2.269
  916    HG2  GLU 101           HG2      GLU 101 -12.658  -8.385   4.241
  917    HG3  GLU 101           HG3      GLU 101 -11.749  -7.324   5.316
  918    H    HIS 102           H        HIS 102  -8.071  -9.761   2.945
  919    HA   HIS 102           HA       HIS 102  -6.385  -8.369   1.336
  920    HB2  HIS 102           HB2      HIS 102  -6.768 -11.371   1.104
  921    HB3  HIS 102           HB3      HIS 102  -5.311 -10.457   0.775
  922    HD1  HIS 102           HD1      HIS 102  -5.259  -8.818   3.650
  923    HD2  HIS 102           HD2      HIS 102  -5.604 -12.937   2.861
  924    HE1  HIS 102           HE1      HIS 102  -4.144 -10.020   5.591
  925    H    ARG 103           H        ARG 103  -8.980 -10.455   0.038
  926    HA   ARG 103           HA       ARG 103  -8.422 -10.393  -2.713
  927    HB2  ARG 103           HB2      ARG 103 -10.955 -10.566  -3.000
  928    HB3  ARG 103           HB3      ARG 103 -10.159 -11.814  -2.055
  929    HG2  ARG 103           HG2      ARG 103 -11.013 -11.044  -0.007
  930    HG3  ARG 103           HG3      ARG 103 -11.435  -9.451  -0.628
  931    HD2  ARG 103           HD2      ARG 103 -12.796 -11.954  -1.681
  932    HD3  ARG 103           HD3      ARG 103 -13.307 -11.163  -0.182
  933    HE   ARG 103           HE       ARG 103 -13.095  -9.300  -2.406
  934   HH11  ARG 103          HH11      ARG 103 -15.373 -11.570  -0.915
  935   HH12  ARG 103          HH12      ARG 103 -16.727 -10.539  -1.421
  936   HH21  ARG 103          HH21      ARG 103 -14.991  -8.176  -2.996
  937   HH22  ARG 103          HH22      ARG 103 -16.530  -8.892  -2.536
  938    H    LYS 104           H        LYS 104 -10.008  -7.831  -0.864
  939    HA   LYS 104           HA       LYS 104 -10.666  -6.214  -3.221
  940    HB2  LYS 104           HB2      LYS 104 -12.054  -6.213  -1.229
  941    HB3  LYS 104           HB3      LYS 104 -10.700  -5.661  -0.232
  942    HG2  LYS 104           HG2      LYS 104 -10.708  -3.490  -1.223
  943    HG3  LYS 104           HG3      LYS 104 -11.732  -4.015  -2.571
  944    HD2  LYS 104           HD2      LYS 104 -12.978  -2.651  -0.914
  945    HD3  LYS 104           HD3      LYS 104 -13.646  -4.280  -1.105
  946    HE2  LYS 104           HE2      LYS 104 -12.382  -5.000   0.941
  947    HE3  LYS 104           HE3      LYS 104 -11.822  -3.340   1.163
  948    HZ1  LYS 104           HZ1      LYS 104 -14.080  -2.667   1.583
  949    HZ2  LYS 104           HZ2      LYS 104 -13.810  -4.043   2.466
  950    HZ3  LYS 104           HZ3      LYS 104 -14.690  -4.112   1.098
  951    H    ILE 105           H        ILE 105  -7.939  -6.384  -0.972
  952    HA   ILE 105           HA       ILE 105  -6.663  -3.965  -2.029
  953    HB   ILE 105           HB       ILE 105  -5.626  -6.231  -0.301
  954   HG12  ILE 105          HG12      ILE 105  -6.131  -3.281   0.328
  955   HG13  ILE 105          HG13      ILE 105  -7.341  -4.535   0.591
  956   HG21  ILE 105          HG21      ILE 105  -4.185  -3.688  -1.194
  957   HG22  ILE 105          HG22      ILE 105  -3.608  -4.792   0.067
  958   HG23  ILE 105          HG23      ILE 105  -3.712  -5.359  -1.589
  959   HD11  ILE 105          HD11      ILE 105  -5.813  -5.724   2.140
  960   HD12  ILE 105          HD12      ILE 105  -4.657  -4.362   1.996
  961   HD13  ILE 105          HD13      ILE 105  -6.271  -4.105   2.642
  962    H    TYR 106           H        TYR 106  -6.239  -7.512  -2.628
  963    HA   TYR 106           HA       TYR 106  -4.132  -7.267  -4.438
  964    HB2  TYR 106           HB2      TYR 106  -6.380  -9.296  -4.473
  965    HB3  TYR 106           HB3      TYR 106  -4.888  -9.440  -5.390
  966    HD1  TYR 106           HD1      TYR 106  -2.826  -8.585  -3.322
  967    HD2  TYR 106           HD2      TYR 106  -6.294 -11.148  -3.065
  968    HE1  TYR 106           HE1      TYR 106  -1.806  -9.776  -1.406
  969    HE2  TYR 106           HE2      TYR 106  -5.241 -12.380  -1.187
  970    HH   TYR 106           HH       TYR 106  -1.965 -11.604  -0.025
  971    H    THR 107           H        THR 107  -7.596  -7.172  -5.326
  972    HA   THR 107           HA       THR 107  -7.118  -6.772  -8.111
  973    HB   THR 107           HB       THR 107  -9.275  -7.492  -7.034
  974    HG1  THR 107           HG1      THR 107  -9.130  -5.492  -9.021
  975   HG21  THR 107          HG21      THR 107  -9.766  -4.485  -6.828
  976   HG22  THR 107          HG22      THR 107  -9.503  -5.582  -5.450
  977   HG23  THR 107          HG23      THR 107 -10.909  -5.791  -6.487
  978    H    MET 108           H        MET 108  -7.290  -4.359  -5.498
  979    HA   MET 108           HA       MET 108  -7.173  -2.083  -7.308
  980    HB2  MET 108           HB2      MET 108  -6.662  -2.330  -4.320
  981    HB3  MET 108           HB3      MET 108  -6.603  -0.817  -5.241
  982    HG2  MET 108           HG2      MET 108  -8.956  -1.259  -6.006
  983    HG3  MET 108           HG3      MET 108  -9.036  -2.596  -4.871
  984    HE1  MET 108           HE1      MET 108  -9.080  -2.216  -2.122
  985    HE2  MET 108           HE2      MET 108  -7.479  -1.469  -2.283
  986    HE3  MET 108           HE3      MET 108  -8.766  -0.630  -1.389
  987    H    MET 109           H        MET 109  -4.719  -3.879  -5.401
  988    HA   MET 109           HA       MET 109  -2.477  -2.233  -6.135
  989    HB2  MET 109           HB2      MET 109  -2.683  -5.144  -5.249
  990    HB3  MET 109           HB3      MET 109  -1.151  -4.316  -5.515
  991    HG2  MET 109           HG2      MET 109  -3.280  -3.514  -3.503
  992    HG3  MET 109           HG3      MET 109  -1.774  -4.342  -3.141
  993    HE1  MET 109           HE1      MET 109   0.893  -1.511  -3.712
  994    HE2  MET 109           HE2      MET 109   0.647  -3.215  -3.279
  995    HE3  MET 109           HE3      MET 109   0.408  -2.675  -4.956
  996    H    ALA 110           H        ALA 110  -3.895  -5.162  -7.652
  997    HA   ALA 110           HA       ALA 110  -1.991  -5.340  -9.796
  998    HB1  ALA 110           HB1      ALA 110  -3.732  -6.753 -10.822
  999    HB2  ALA 110           HB2      ALA 110  -3.509  -7.158  -9.108
 1000    HB3  ALA 110           HB3      ALA 110  -4.913  -6.189  -9.605
 1001    H    SER 111           H        SER 111  -5.038  -3.463  -9.452
 1002    HA   SER 111           HA       SER 111  -5.003  -2.459 -12.153
 1003    HB2  SER 111           HB2      SER 111  -6.450  -1.454  -9.675
 1004    HB3  SER 111           HB3      SER 111  -6.708  -0.853 -11.323
 1005    HG   SER 111           HG       SER 111  -7.251  -3.409 -10.251
 1006    H    MET 112           H        MET 112  -3.009  -1.541  -9.515
 1007    HA   MET 112           HA       MET 112  -2.375   1.116 -10.651
 1008    HB2  MET 112           HB2      MET 112  -1.039  -0.456  -8.423
 1009    HB3  MET 112           HB3      MET 112  -0.664   1.207  -8.895
 1010    HG2  MET 112           HG2      MET 112  -2.909   1.947  -8.258
 1011    HG3  MET 112           HG3      MET 112  -3.349   0.293  -7.846
 1012    HE1  MET 112           HE1      MET 112  -3.851   0.058  -5.380
 1013    HE2  MET 112           HE2      MET 112  -3.287   1.277  -4.215
 1014    HE3  MET 112           HE3      MET 112  -4.201   1.780  -5.656
 1015    H    THR 113           H        THR 113  -1.592  -2.020 -11.569
 1016    HA   THR 113           HA       THR 113   0.879  -1.102 -12.921
 1017    HB   THR 113           HB       THR 113   2.233  -2.796 -12.321
 1018    HG1  THR 113           HG1      THR 113   1.515  -4.728 -11.407
 1019   HG21  THR 113          HG21      THR 113   0.538  -2.657  -9.787
 1020   HG22  THR 113          HG22      THR 113   1.699  -1.403 -10.267
 1021   HG23  THR 113          HG23      THR 113   2.263  -3.033  -9.907
 1022    H    GLY 114           H        GLY 114  -1.774  -3.422 -13.083
 1023    HA2  GLY 114           HA2      GLY 114  -1.232  -4.025 -15.931
 1024    HA3  GLY 114           HA3      GLY 114  -2.502  -4.707 -14.919
 1025    H    GLY 115           H        GLY 115  -2.833  -3.696 -17.563
 1026    HA2  GLY 115           HA2      GLY 115  -4.407  -2.521 -18.784
 1027    HA3  GLY 115           HA3      GLY 115  -5.187  -2.085 -17.267
 1028    H    GLN 116           H        GLN 116  -5.656  -0.045 -18.272
 1029    HA   GLN 116           HA       GLN 116  -3.651   1.988 -17.669
 1030    HB2  GLN 116           HB2      GLN 116  -3.768   3.128 -19.814
 1031    HB3  GLN 116           HB3      GLN 116  -3.089   1.513 -20.001
 1032    HG2  GLN 116           HG2      GLN 116  -5.276   0.690 -20.866
 1033    HG3  GLN 116           HG3      GLN 116  -5.962   2.304 -20.671
 1034   HE21  GLN 116          HE21      GLN 116  -6.317   1.508 -23.122
 1035   HE22  GLN 116          HE22      GLN 116  -5.106   2.155 -24.222
 1036    H    GLN 117           H        GLN 117  -4.521   4.093 -17.428
 1037    HA   GLN 117           HA       GLN 117  -7.360   4.190 -16.662
 1038    HB2  GLN 117           HB2      GLN 117  -5.129   6.254 -16.553
 1039    HB3  GLN 117           HB3      GLN 117  -6.785   6.519 -15.977
 1040    HG2  GLN 117           HG2      GLN 117  -6.581   4.815 -14.290
 1041    HG3  GLN 117           HG3      GLN 117  -5.005   4.302 -14.904
 1042   HE21  GLN 117          HE21      GLN 117  -5.552   7.849 -14.731
 1043   HE22  GLN 117          HE22      GLN 117  -4.596   8.014 -13.267
 1044    H    MET 118           H        MET 118  -8.866   5.742 -17.443
 1045    HA   MET 118           HA       MET 118  -8.739   6.397 -20.295
 1046    HB2  MET 118           HB2      MET 118 -10.754   7.096 -18.123
 1047    HB3  MET 118           HB3      MET 118 -10.933   7.494 -19.837
 1048    HG2  MET 118           HG2      MET 118 -10.850   5.096 -20.426
 1049    HG3  MET 118           HG3      MET 118 -10.650   4.678 -18.727
 1050    HE1  MET 118           HE1      MET 118 -13.146   7.304 -20.517
 1051    HE2  MET 118           HE2      MET 118 -13.062   5.852 -21.544
 1052    HE3  MET 118           HE3      MET 118 -14.560   6.243 -20.672
 1053    H    GLY 119           H        GLY 119  -7.637   7.978 -17.450
 1054    HA2  GLY 119           HA2      GLY 119  -6.384  10.146 -18.729
 1055    HA3  GLY 119           HA3      GLY 119  -7.919  10.744 -18.088
  Start of MODEL   19
    1    H1   MET -11           H1       MET -11   2.163  -6.648  22.104
    2    H2   MET -11           H2       MET -11   2.095  -8.274  21.958
    3    H3   MET -11           H3       MET -11   1.479  -7.549  23.292
    4    HA   MET -11           HA       MET -11  -0.283  -8.253  21.810
    5    HB2  MET -11           HB2      MET -11   0.043  -5.240  22.145
    6    HB3  MET -11           HB3      MET -11  -1.404  -5.997  21.487
    7    HG2  MET -11           HG2      MET -11  -1.885  -5.627  23.737
    8    HG3  MET -11           HG3      MET -11  -1.617  -7.360  23.582
    9    HE1  MET -11           HE1      MET -11  -0.486  -6.597  27.254
   10    HE2  MET -11           HE2      MET -11  -1.824  -5.849  26.355
   11    HE3  MET -11           HE3      MET -11  -1.516  -7.595  26.204
   12    HA   PRO -10           HA       PRO -10   0.308  -8.082  17.430
   13    HB2  PRO -10           HB2      PRO -10  -2.631  -7.399  17.286
   14    HB3  PRO -10           HB3      PRO -10  -1.719  -8.634  16.368
   15    HG2  PRO -10           HG2      PRO -10  -3.245  -9.380  18.466
   16    HG3  PRO -10           HG3      PRO -10  -1.593 -10.065  18.294
   17    HD2  PRO -10           HD2      PRO -10  -2.497  -7.751  20.038
   18    HD3  PRO -10           HD3      PRO -10  -1.480  -9.161  20.468
   19    H    ARG  -9           H        ARG  -9   0.326  -6.680  15.591
   20    HA   ARG  -9           HA       ARG  -9  -0.500  -3.860  15.868
   21    HB2  ARG  -9           HB2      ARG  -9   2.365  -4.797  15.497
   22    HB3  ARG  -9           HB3      ARG  -9   1.856  -3.214  14.930
   23    HG2  ARG  -9           HG2      ARG  -9   1.577  -4.116  17.822
   24    HG3  ARG  -9           HG3      ARG  -9   2.945  -3.211  17.188
   25    HD2  ARG  -9           HD2      ARG  -9   1.608  -1.300  16.663
   26    HD3  ARG  -9           HD3      ARG  -9   0.105  -2.169  16.913
   27    HE   ARG  -9           HE       ARG  -9   2.032  -1.405  19.070
   28   HH11  ARG  -9          HH11      ARG  -9  -1.330  -2.052  18.167
   29   HH12  ARG  -9          HH12      ARG  -9  -1.893  -1.611  19.756
   30   HH21  ARG  -9          HH21      ARG  -9   1.202  -0.911  21.050
   31   HH22  ARG  -9          HH22      ARG  -9  -0.512  -0.981  21.325
   32    H    PHE  -8           H        PHE  -8  -0.324  -2.611  13.886
   33    HA   PHE  -8           HA       PHE  -8  -1.677  -3.634  11.755
   34    HB2  PHE  -8           HB2      PHE  -8  -1.583  -1.356  11.802
   35    HB3  PHE  -8           HB3      PHE  -8   0.159  -1.306  12.028
   36    HD1  PHE  -8           HD2      PHE  -8  -2.510  -1.852   9.480
   37    HD2  PHE  -8           HD1      PHE  -8   1.709  -1.291  10.186
   38    HE1  PHE  -8           HE2      PHE  -8  -2.110  -1.688   7.031
   39    HE2  PHE  -8           HE1      PHE  -8   2.099  -1.166   7.735
   40    HZ   PHE  -8           HZ       PHE  -8   0.198  -1.395   6.161
   41    H    TRP  -7           H        TRP  -7   1.883  -3.740  11.864
   42    HA   TRP  -7           HA       TRP  -7   2.167  -4.671   9.196
   43    HB2  TRP  -7           HB2      TRP  -7   3.974  -3.636  10.401
   44    HB3  TRP  -7           HB3      TRP  -7   4.000  -4.938  11.586
   45    HD1  TRP  -7           HD1      TRP  -7   5.261  -7.133  10.986
   46    HE1  TRP  -7           HE1      TRP  -7   6.667  -7.964   9.007
   47    HE3  TRP  -7           HE3      TRP  -7   4.176  -3.428   7.623
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.139  -7.200   6.263
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.089  -3.538   5.310
   50    HH2  TRP  -7           HH2      TRP  -7   6.549  -5.408   4.621
   51    H    GLU  -6           H        GLU  -6   1.297  -6.534  12.079
   52    HA   GLU  -6           HA       GLU  -6   1.896  -9.138  10.922
   53    HB2  GLU  -6           HB2      GLU  -6  -0.122  -8.388  13.079
   54    HB3  GLU  -6           HB3      GLU  -6   0.416 -10.018  12.647
   55    HG2  GLU  -6           HG2      GLU  -6   2.787  -9.293  13.189
   56    HG3  GLU  -6           HG3      GLU  -6   2.119  -7.791  13.840
   57    H    TYR  -5           H        TYR  -5  -0.898  -6.943  10.780
   58    HA   TYR  -5           HA       TYR  -5  -2.505  -8.741   9.163
   59    HB2  TYR  -5           HB2      TYR  -5  -2.799  -5.835   9.889
   60    HB3  TYR  -5           HB3      TYR  -5  -3.782  -6.583   8.647
   61    HD1  TYR  -5           HD1      TYR  -5  -5.218  -8.577   9.150
   62    HD2  TYR  -5           HD2      TYR  -5  -3.324  -6.219  12.230
   63    HE1  TYR  -5           HE1      TYR  -5  -6.815  -9.483  10.829
   64    HE2  TYR  -5           HE2      TYR  -5  -4.946  -7.103  13.902
   65    HH   TYR  -5           HH       TYR  -5  -6.714  -8.526  14.278
   66    H    TRP  -4           H        TRP  -4  -0.265  -6.110   8.378
   67    HA   TRP  -4           HA       TRP  -4  -0.819  -6.207   5.535
   68    HB2  TRP  -4           HB2      TRP  -4   0.174  -4.288   6.893
   69    HB3  TRP  -4           HB3      TRP  -4   1.701  -5.176   6.892
   70    HD1  TRP  -4           HD1      TRP  -4   2.961  -5.405   4.550
   71    HE1  TRP  -4           HE1      TRP  -4   2.688  -4.296   2.246
   72    HE3  TRP  -4           HE3      TRP  -4  -1.648  -3.302   5.217
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.602  -2.946   0.787
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.805  -2.199   3.319
   75    HH2  TRP  -4           HH2      TRP  -4  -1.696  -2.003   1.107
   76    H    LEU  -3           H        LEU  -3   1.699  -7.831   7.553
   77    HA   LEU  -3           HA       LEU  -3   3.134  -9.009   5.436
   78    HB2  LEU  -3           HB2      LEU  -3   3.751  -8.907   7.885
   79    HB3  LEU  -3           HB3      LEU  -3   2.547 -10.158   8.192
   80    HG   LEU  -3           HG       LEU  -3   3.884 -11.648   6.561
   81   HD11  LEU  -3          HD11      LEU  -3   6.223 -11.032   6.177
   82   HD12  LEU  -3          HD12      LEU  -3   6.000  -9.500   7.049
   83   HD13  LEU  -3          HD13      LEU  -3   5.185  -9.766   5.504
   84   HD21  LEU  -3          HD21      LEU  -3   5.241 -10.673   9.106
   85   HD22  LEU  -3          HD22      LEU  -3   5.576 -12.203   8.262
   86   HD23  LEU  -3          HD23      LEU  -3   3.989 -11.928   8.996
   87    H    ARG  -2           H        ARG  -2   0.038  -9.907   6.811
   88    HA   ARG  -2           HA       ARG  -2  -0.203 -12.551   5.689
   89    HB2  ARG  -2           HB2      ARG  -2  -1.403 -11.564   7.695
   90    HB3  ARG  -2           HB3      ARG  -2  -2.355 -10.605   6.577
   91    HG2  ARG  -2           HG2      ARG  -2  -3.672 -12.400   7.287
   92    HG3  ARG  -2           HG3      ARG  -2  -3.296 -12.699   5.604
   93    HD2  ARG  -2           HD2      ARG  -2  -1.690 -13.952   7.865
   94    HD3  ARG  -2           HD3      ARG  -2  -3.231 -14.634   7.332
   95    HE   ARG  -2           HE       ARG  -2  -1.633 -14.358   5.013
   96   HH11  ARG  -2          HH11      ARG  -2  -1.785 -16.376   7.918
   97   HH12  ARG  -2          HH12      ARG  -2  -1.122 -17.746   7.020
   98   HH21  ARG  -2          HH21      ARG  -2  -0.647 -16.232   4.093
   99   HH22  ARG  -2          HH22      ARG  -2  -0.511 -17.652   5.147
  100    H    LEU  -1           H        LEU  -1  -0.515  -9.411   4.238
  101    HA   LEU  -1           HA       LEU  -1  -2.041 -10.289   1.878
  102    HB2  LEU  -1           HB2      LEU  -1  -0.284  -7.874   2.460
  103    HB3  LEU  -1           HB3      LEU  -1  -1.038  -8.131   0.915
  104    HG   LEU  -1           HG       LEU  -1  -2.645  -7.839   3.479
  105   HD11  LEU  -1          HD11      LEU  -1  -1.808  -5.832   1.335
  106   HD12  LEU  -1          HD12      LEU  -1  -1.303  -5.843   3.029
  107   HD13  LEU  -1          HD13      LEU  -1  -2.997  -5.510   2.620
  108   HD21  LEU  -1          HD21      LEU  -1  -4.479  -7.365   1.927
  109   HD22  LEU  -1          HD22      LEU  -1  -3.796  -8.955   1.513
  110   HD23  LEU  -1          HD23      LEU  -1  -3.404  -7.542   0.528
  111    H    MET   0           H        MET   0   1.460  -9.588   2.581
  112    HA   MET   0           HA       MET   0   2.198 -10.434  -0.083
  113    HB2  MET   0           HB2      MET   0   4.452 -10.095   0.514
  114    HB3  MET   0           HB3      MET   0   3.514  -8.790   1.224
  115    HG2  MET   0           HG2      MET   0   3.735  -9.718   3.421
  116    HG3  MET   0           HG3      MET   0   4.336 -11.257   2.804
  117    HE1  MET   0           HE1      MET   0   5.523  -7.590   1.694
  118    HE2  MET   0           HE2      MET   0   5.022  -7.556   3.413
  119    HE3  MET   0           HE3      MET   0   6.733  -7.341   2.976
  120    H    GLU   1           H        GLU   1   1.815 -12.118   2.938
  121    HA   GLU   1           HA       GLU   1   2.616 -14.719   1.728
  122    HB2  GLU   1           HB2      GLU   1   1.646 -14.044   4.537
  123    HB3  GLU   1           HB3      GLU   1   2.189 -15.629   3.990
  124    HG2  GLU   1           HG2      GLU   1   3.882 -13.112   4.239
  125    HG3  GLU   1           HG3      GLU   1   3.960 -14.550   5.243
  126    H    GLY   2           H        GLY   2   0.235 -13.013   0.861
  127    HA2  GLY   2           HA2      GLY   2  -2.159 -14.100   1.822
  128    HA3  GLY   2           HA3      GLY   2  -1.976 -13.199   0.329
  129    H    GLY   3           H        GLY   3  -0.087 -15.401  -0.701
  130    HA2  GLY   3           HA2      GLY   3  -1.995 -17.240  -1.873
  131    HA3  GLY   3           HA3      GLY   3  -0.233 -17.365  -1.923
  132    H    GLY   4           H        GLY   4  -0.655 -17.146   1.258
  133    HA2  GLY   4           HA2      GLY   4  -0.624 -20.019   1.845
  134    HA3  GLY   4           HA3      GLY   4  -0.380 -18.681   2.957
  135    H    GLU   5           H        GLU   5  -1.718 -19.489   4.506
  136    HA   GLU   5           HA       GLU   5  -4.031 -20.951   4.262
  137    HB2  GLU   5           HB2      GLU   5  -3.299 -19.079   6.561
  138    HB3  GLU   5           HB3      GLU   5  -4.413 -20.431   6.618
  139    HG2  GLU   5           HG2      GLU   5  -2.566 -21.378   7.552
  140    HG3  GLU   5           HG3      GLU   5  -2.428 -21.923   5.886
  141    H    ASN   6           H        ASN   6  -3.943 -17.424   4.048
  142    HA   ASN   6           HA       ASN   6  -6.779 -17.111   4.639
  143    HB2  ASN   6           HB2      ASN   6  -6.390 -14.734   4.038
  144    HB3  ASN   6           HB3      ASN   6  -5.414 -15.344   5.359
  145   HD21  ASN   6          HD21      ASN   6  -4.959 -12.986   3.679
  146   HD22  ASN   6          HD22      ASN   6  -3.316 -13.224   3.123
  147    H    LEU   7           H        LEU   7  -4.981 -17.585   1.619
  148    HA   LEU   7           HA       LEU   7  -7.599 -17.565   0.195
  149    HB2  LEU   7           HB2      LEU   7  -5.137 -16.265  -0.977
  150    HB3  LEU   7           HB3      LEU   7  -6.704 -16.370  -1.723
  151    HG   LEU   7           HG       LEU   7  -6.242 -14.774   0.833
  152   HD11  LEU   7          HD11      LEU   7  -6.216 -12.791  -0.639
  153   HD12  LEU   7          HD12      LEU   7  -6.210 -13.850  -2.064
  154   HD13  LEU   7          HD13      LEU   7  -4.837 -13.858  -0.942
  155   HD21  LEU   7          HD21      LEU   7  -8.617 -15.410   0.314
  156   HD22  LEU   7          HD22      LEU   7  -8.444 -14.676  -1.286
  157   HD23  LEU   7          HD23      LEU   7  -8.338 -13.670   0.177
  158    H    TYR   8           H        TYR   8  -5.277 -19.594   1.043
  159    HA   TYR   8           HA       TYR   8  -4.382 -20.816  -1.270
  160    HB2  TYR   8           HB2      TYR   8  -3.267 -21.380   0.624
  161    HB3  TYR   8           HB3      TYR   8  -4.724 -21.739   1.533
  162    HD1  TYR   8           HD2      TYR   8  -2.292 -23.063  -0.911
  163    HD2  TYR   8           HD1      TYR   8  -5.795 -23.924   1.460
  164    HE1  TYR   8           HE2      TYR   8  -1.987 -25.497  -1.344
  165    HE2  TYR   8           HE1      TYR   8  -5.489 -26.361   1.021
  166    HH   TYR   8           HH       TYR   8  -2.790 -27.612  -0.982
  167    H    PHE   9           H        PHE   9  -7.606 -21.226  -0.048
  168    HA   PHE   9           HA       PHE   9  -8.182 -23.715  -1.123
  169    HB2  PHE   9           HB2      PHE   9  -9.618 -23.038   0.489
  170    HB3  PHE   9           HB3      PHE   9  -9.889 -21.463  -0.237
  171    HD1  PHE   9           HD1      PHE   9 -10.710 -25.089  -0.604
  172    HD2  PHE   9           HD2      PHE   9 -11.679 -21.045  -1.758
  173    HE1  PHE   9           HE1      PHE   9 -12.807 -25.890  -1.673
  174    HE2  PHE   9           HE2      PHE   9 -13.782 -21.846  -2.791
  175    HZ   PHE   9           HZ       PHE   9 -14.348 -24.271  -2.764
  176    H    GLN  10           H        GLN  10  -8.711 -24.694  -2.912
  177    HA   GLN  10           HA       GLN  10  -8.576 -23.221  -5.439
  178    HB2  GLN  10           HB2      GLN  10  -7.373 -25.324  -5.096
  179    HB3  GLN  10           HB3      GLN  10  -8.895 -26.185  -4.824
  180    HG2  GLN  10           HG2      GLN  10  -9.606 -25.686  -7.148
  181    HG3  GLN  10           HG3      GLN  10  -8.145 -24.728  -7.401
  182   HE21  GLN  10          HE21      GLN  10  -8.262 -26.463  -9.297
  183   HE22  GLN  10          HE22      GLN  10  -7.320 -27.914  -8.977
  184    H    GLY  11           H        GLY  11 -10.432 -21.953  -5.551
  185    HA2  GLY  11           HA2      GLY  11 -12.665 -22.870  -6.917
  186    HA3  GLY  11           HA3      GLY  11 -13.110 -23.023  -5.218
  187    H    MET  12           H        MET  12 -14.698 -21.508  -5.290
  188    HA   MET  12           HA       MET  12 -14.459 -18.764  -6.135
  189    HB2  MET  12           HB2      MET  12 -16.594 -18.495  -5.020
  190    HB3  MET  12           HB3      MET  12 -16.607 -19.966  -5.974
  191    HG2  MET  12           HG2      MET  12 -16.068 -19.956  -2.975
  192    HG3  MET  12           HG3      MET  12 -17.683 -20.029  -3.660
  193    HE1  MET  12           HE1      MET  12 -16.389 -22.119  -1.565
  194    HE2  MET  12           HE2      MET  12 -18.079 -22.161  -2.119
  195    HE3  MET  12           HE3      MET  12 -17.080 -23.630  -2.196
  196    H    SER  13           H        SER  13 -15.130 -17.048  -4.333
  197    HA   SER  13           HA       SER  13 -14.493 -15.686  -2.640
  198    HB2  SER  13           HB2      SER  13 -13.816 -18.272  -1.210
  199    HB3  SER  13           HB3      SER  13 -14.009 -16.692  -0.443
  200    HG   SER  13           HG       SER  13 -15.945 -17.914  -0.332
  201    H    VAL  14           H        VAL  14 -12.275 -16.820  -4.510
  202    HA   VAL  14           HA       VAL  14  -9.894 -15.745  -3.073
  203    HB   VAL  14           HB       VAL  14 -10.439 -18.506  -4.145
  204   HG11  VAL  14          HG11      VAL  14  -8.408 -17.862  -5.421
  205   HG12  VAL  14          HG12      VAL  14  -7.603 -17.426  -3.892
  206   HG13  VAL  14          HG13      VAL  14  -8.075 -19.095  -4.210
  207   HG21  VAL  14          HG21      VAL  14  -9.195 -19.181  -2.106
  208   HG22  VAL  14          HG22      VAL  14  -8.983 -17.466  -1.695
  209   HG23  VAL  14          HG23      VAL  14 -10.605 -18.186  -1.748
  210    HA   PRO  15           HA       PRO  15  -9.703 -13.663  -6.947
  211    HB2  PRO  15           HB2      PRO  15  -7.154 -12.662  -6.955
  212    HB3  PRO  15           HB3      PRO  15  -8.424 -12.106  -5.823
  213    HG2  PRO  15           HG2      PRO  15  -6.258 -14.175  -5.313
  214    HG3  PRO  15           HG3      PRO  15  -6.720 -12.774  -4.289
  215    HD2  PRO  15           HD2      PRO  15  -7.690 -15.281  -3.801
  216    HD3  PRO  15           HD3      PRO  15  -8.703 -13.832  -3.576
  217    H    THR  16           H        THR  16  -9.181 -13.890  -9.072
  218    HA   THR  16           HA       THR  16  -7.601 -16.208  -9.930
  219    HB   THR  16           HB       THR  16  -8.506 -16.125 -12.003
  220    HG1  THR  16           HG1      THR  16  -9.578 -14.332 -12.842
  221   HG21  THR  16          HG21      THR  16 -10.794 -14.948 -10.363
  222   HG22  THR  16          HG22      THR  16 -10.258 -16.643 -10.276
  223   HG23  THR  16          HG23      THR  16 -10.903 -15.996 -11.792
  224    H    ASP  17           H        ASP  17  -6.131 -16.031 -11.831
  225    HA   ASP  17           HA       ASP  17  -4.047 -14.065 -11.303
  226    HB2  ASP  17           HB2      ASP  17  -2.873 -15.206 -13.202
  227    HB3  ASP  17           HB3      ASP  17  -3.212 -16.159 -11.767
  228    H    GLY  18           H        GLY  18  -6.285 -14.661 -13.981
  229    HA2  GLY  18           HA2      GLY  18  -7.233 -13.112 -15.464
  230    HA3  GLY  18           HA3      GLY  18  -6.148 -11.849 -14.895
  231    H    ALA  19           H        ALA  19  -6.790 -12.400 -17.615
  232    HA   ALA  19           HA       ALA  19  -4.793 -13.958 -18.952
  233    HB1  ALA  19           HB1      ALA  19  -5.698 -12.902 -20.985
  234    HB2  ALA  19           HB2      ALA  19  -7.001 -13.455 -19.915
  235    HB3  ALA  19           HB3      ALA  19  -6.587 -11.725 -19.994
  236    H    VAL  20           H        VAL  20  -2.868 -13.459 -19.856
  237    HA   VAL  20           HA       VAL  20  -0.874 -12.524 -20.047
  238    HB   VAL  20           HB       VAL  20  -1.914  -9.839 -20.806
  239   HG11  VAL  20          HG11      VAL  20   0.510 -10.419 -21.077
  240   HG12  VAL  20          HG12      VAL  20   0.049 -11.784 -22.113
  241   HG13  VAL  20          HG13      VAL  20  -0.283 -10.116 -22.625
  242   HG21  VAL  20          HG21      VAL  20  -2.539 -10.694 -23.048
  243   HG22  VAL  20          HG22      VAL  20  -2.412 -12.359 -22.439
  244   HG23  VAL  20          HG23      VAL  20  -3.640 -11.243 -21.789
  245    H    THR  21           H        THR  21  -1.875 -12.374 -17.344
  246    HA   THR  21           HA       THR  21  -1.135  -9.944 -16.156
  247    HB   THR  21           HB       THR  21  -2.599 -11.743 -15.191
  248    HG1  THR  21           HG1      THR  21  -2.242 -10.892 -13.217
  249   HG21  THR  21          HG21      THR  21  -0.917 -13.597 -15.125
  250   HG22  THR  21          HG22      THR  21  -1.578 -13.218 -13.526
  251   HG23  THR  21          HG23      THR  21   0.046 -12.660 -13.957
  252    H    THR  22           H        THR  22   0.512  -9.233 -14.828
  253    HA   THR  22           HA       THR  22   2.591  -8.556 -14.611
  254    HB   THR  22           HB       THR  22   3.862 -11.215 -14.465
  255    HG1  THR  22           HG1      THR  22   2.851 -11.650 -12.528
  256   HG21  THR  22          HG21      THR  22   5.009  -9.122 -13.657
  257   HG22  THR  22          HG22      THR  22   4.751 -10.307 -12.372
  258   HG23  THR  22          HG23      THR  22   3.688  -8.891 -12.495
  259    H    SER  23           H        SER  23   1.888  -9.407 -17.513
  260    HA   SER  23           HA       SER  23   2.789  -9.269 -19.579
  261    HB2  SER  23           HB2      SER  23   3.413  -7.021 -18.661
  262    HB3  SER  23           HB3      SER  23   5.037  -7.655 -18.340
  263    HG   SER  23           HG       SER  23   4.776  -6.556 -20.395
  264    H    GLN  24           H        GLN  24   5.349  -9.324 -20.637
  265    HA   GLN  24           HA       GLN  24   6.085 -12.130 -20.440
  266    HB2  GLN  24           HB2      GLN  24   7.463  -9.788 -21.810
  267    HB3  GLN  24           HB3      GLN  24   7.954 -11.484 -21.946
  268    HG2  GLN  24           HG2      GLN  24   5.705 -12.050 -22.875
  269    HG3  GLN  24           HG3      GLN  24   5.264 -10.342 -22.825
  270   HE21  GLN  24          HE21      GLN  24   4.974 -11.362 -25.250
  271   HE22  GLN  24          HE22      GLN  24   6.323 -10.938 -26.298
  272    H    ILE  25           H        ILE  25   7.750 -13.108 -19.393
  273    HA   ILE  25           HA       ILE  25   8.706 -11.829 -17.014
  274    HB   ILE  25           HB       ILE  25   9.927 -13.988 -16.627
  275   HG12  ILE  25          HG12      ILE  25   8.493 -15.023 -19.114
  276   HG13  ILE  25          HG13      ILE  25  10.193 -14.554 -19.111
  277   HG21  ILE  25          HG21      ILE  25   6.961 -14.237 -17.301
  278   HG22  ILE  25          HG22      ILE  25   7.877 -15.234 -16.151
  279   HG23  ILE  25          HG23      ILE  25   7.627 -13.523 -15.819
  280   HD11  ILE  25          HD11      ILE  25  10.044 -16.942 -18.833
  281   HD12  ILE  25          HD12      ILE  25  10.668 -16.226 -17.335
  282   HD13  ILE  25          HD13      ILE  25   8.977 -16.776 -17.431
  283    HA   PRO  26           HA       PRO  26  12.869 -10.579 -18.296
  284    HB2  PRO  26           HB2      PRO  26  14.142 -10.442 -15.898
  285    HB3  PRO  26           HB3      PRO  26  12.827  -9.308 -16.327
  286    HG2  PRO  26           HG2      PRO  26  12.612 -11.866 -14.700
  287    HG3  PRO  26           HG3      PRO  26  12.030 -10.226 -14.260
  288    HD2  PRO  26           HD2      PRO  26  10.403 -12.099 -15.397
  289    HD3  PRO  26           HD3      PRO  26  10.234 -10.360 -15.786
  290    H    ALA  27           H        ALA  27  15.236 -11.430 -17.753
  291    HA   ALA  27           HA       ALA  27  15.499 -14.213 -18.363
  292    HB1  ALA  27           HB1      ALA  27  17.219 -12.521 -18.881
  293    HB2  ALA  27           HB2      ALA  27  17.502 -12.262 -17.143
  294    HB3  ALA  27           HB3      ALA  27  17.889 -13.828 -17.887
  295    H    SER  28           H        SER  28  16.184 -15.966 -17.079
  296    HA   SER  28           HA       SER  28  14.755 -16.278 -14.666
  297    HB2  SER  28           HB2      SER  28  15.807 -18.517 -14.604
  298    HB3  SER  28           HB3      SER  28  15.146 -18.102 -16.194
  299    HG   SER  28           HG       SER  28  17.255 -19.027 -16.324
  300    H    GLU  29           H        GLU  29  17.806 -14.841 -14.947
  301    HA   GLU  29           HA       GLU  29  19.012 -15.531 -12.435
  302    HB2  GLU  29           HB2      GLU  29  20.216 -14.526 -14.331
  303    HB3  GLU  29           HB3      GLU  29  19.201 -13.097 -14.249
  304    HG2  GLU  29           HG2      GLU  29  21.369 -12.597 -13.377
  305    HG3  GLU  29           HG3      GLU  29  20.182 -12.448 -12.099
  306    H    GLN  30           H        GLN  30  16.244 -13.504 -13.146
  307    HA   GLN  30           HA       GLN  30  16.137 -12.599 -10.316
  308    HB2  GLN  30           HB2      GLN  30  17.300 -10.879 -11.626
  309    HB3  GLN  30           HB3      GLN  30  15.930 -10.761 -12.734
  310    HG2  GLN  30           HG2      GLN  30  14.519  -9.801 -11.042
  311    HG3  GLN  30           HG3      GLN  30  15.640 -10.246  -9.750
  312   HE21  GLN  30          HE21      GLN  30  17.859  -9.140  -9.802
  313   HE22  GLN  30          HE22      GLN  30  17.923  -7.520 -10.483
  314    H    GLU  31           H        GLU  31  14.111 -12.113  -9.494
  315    HA   GLU  31           HA       GLU  31  11.847 -13.529 -10.580
  316    HB2  GLU  31           HB2      GLU  31  12.273 -13.338  -8.213
  317    HB3  GLU  31           HB3      GLU  31  12.148 -11.573  -8.272
  318    HG2  GLU  31           HG2      GLU  31   9.779 -11.685  -8.776
  319    HG3  GLU  31           HG3      GLU  31   9.858 -13.439  -8.990
  320    H    THR  32           H        THR  32   9.809 -12.719 -11.298
  321    HA   THR  32           HA       THR  32   9.883 -10.826 -13.244
  322    HB   THR  32           HB       THR  32   7.261 -11.275 -11.927
  323    HG1  THR  32           HG1      THR  32   7.175 -13.312 -12.822
  324   HG21  THR  32          HG21      THR  32   7.321  -9.989 -14.030
  325   HG22  THR  32          HG22      THR  32   6.504 -11.542 -14.256
  326   HG23  THR  32          HG23      THR  32   8.169 -11.328 -14.830
  327    H    LEU  33           H        LEU  33   9.649  -8.785 -13.630
  328    HA   LEU  33           HA       LEU  33   9.251  -6.904 -11.362
  329    HB2  LEU  33           HB2      LEU  33  10.448  -6.529 -14.131
  330    HB3  LEU  33           HB3      LEU  33  10.271  -5.250 -12.937
  331    HG   LEU  33           HG       LEU  33  12.000  -7.734 -12.547
  332   HD11  LEU  33          HD11      LEU  33  12.716  -4.866 -13.301
  333   HD12  LEU  33          HD12      LEU  33  12.836  -6.300 -14.344
  334   HD13  LEU  33          HD13      LEU  33  13.875  -6.160 -12.917
  335   HD21  LEU  33          HD21      LEU  33  11.787  -5.149 -10.932
  336   HD22  LEU  33          HD22      LEU  33  12.976  -6.445 -10.674
  337   HD23  LEU  33          HD23      LEU  33  11.263  -6.765 -10.394
  338    H    VAL  34           H        VAL  34   7.953  -5.161 -11.496
  339    HA   VAL  34           HA       VAL  34   6.135  -4.798 -13.802
  340    HB   VAL  34           HB       VAL  34   4.260  -4.350 -12.561
  341   HG11  VAL  34          HG11      VAL  34   3.813  -6.279 -11.268
  342   HG12  VAL  34          HG12      VAL  34   4.933  -6.760 -12.558
  343   HG13  VAL  34          HG13      VAL  34   5.536  -6.519 -10.891
  344   HG21  VAL  34          HG21      VAL  34   4.955  -2.886 -10.813
  345   HG22  VAL  34          HG22      VAL  34   4.235  -4.281 -10.017
  346   HG23  VAL  34          HG23      VAL  34   5.993  -4.126 -10.072
  347    H    ARG  35           H        ARG  35   5.301  -2.686 -14.097
  348    HA   ARG  35           HA       ARG  35   7.104  -0.536 -13.109
  349    HB2  ARG  35           HB2      ARG  35   7.282  -0.819 -15.480
  350    HB3  ARG  35           HB3      ARG  35   5.534  -0.798 -15.685
  351    HG2  ARG  35           HG2      ARG  35   6.584   1.277 -16.441
  352    HG3  ARG  35           HG3      ARG  35   5.417   1.562 -15.170
  353    HD2  ARG  35           HD2      ARG  35   8.054   1.211 -13.973
  354    HD3  ARG  35           HD3      ARG  35   8.176   2.339 -15.307
  355    HE   ARG  35           HE       ARG  35   6.270   2.628 -12.986
  356   HH11  ARG  35          HH11      ARG  35   8.309   4.272 -15.332
  357   HH12  ARG  35          HH12      ARG  35   7.848   5.838 -14.724
  358   HH21  ARG  35          HH21      ARG  35   5.725   4.527 -12.330
  359   HH22  ARG  35          HH22      ARG  35   6.408   5.993 -13.031
  360    HA   PRO  36           HA       PRO  36   3.137   0.286 -10.906
  361    HB2  PRO  36           HB2      PRO  36   4.252   1.689  -8.804
  362    HB3  PRO  36           HB3      PRO  36   4.114  -0.096  -8.863
  363    HG2  PRO  36           HG2      PRO  36   6.509   1.617  -9.530
  364    HG3  PRO  36           HG3      PRO  36   6.433   0.112  -8.550
  365    HD2  PRO  36           HD2      PRO  36   7.208   0.116 -11.150
  366    HD3  PRO  36           HD3      PRO  36   6.257  -1.242 -10.473
  367    H    LYS  37           H        LYS  37   1.866   2.155 -10.954
  368    HA   LYS  37           HA       LYS  37   2.602   4.136 -12.829
  369    HB2  LYS  37           HB2      LYS  37   0.497   5.109 -12.500
  370    HB3  LYS  37           HB3      LYS  37   0.267   3.392 -12.240
  371    HG2  LYS  37           HG2      LYS  37   0.163   3.752  -9.785
  372    HG3  LYS  37           HG3      LYS  37   0.558   5.461 -10.010
  373    HD2  LYS  37           HD2      LYS  37  -1.761   5.494  -9.724
  374    HD3  LYS  37           HD3      LYS  37  -1.536   5.665 -11.463
  375    HE2  LYS  37           HE2      LYS  37  -1.875   3.117 -11.618
  376    HE3  LYS  37           HE3      LYS  37  -2.323   3.169  -9.902
  377    HZ1  LYS  37           HZ1      LYS  37  -3.732   4.632 -12.070
  378    HZ2  LYS  37           HZ2      LYS  37  -4.151   4.663 -10.490
  379    HZ3  LYS  37           HZ3      LYS  37  -4.269   3.274 -11.345
  380    HA   PRO  38           HA       PRO  38   5.023   7.174 -11.009
  381    HB2  PRO  38           HB2      PRO  38   2.982   9.305 -11.684
  382    HB3  PRO  38           HB3      PRO  38   4.754   9.315 -11.956
  383    HG2  PRO  38           HG2      PRO  38   3.099   8.714 -13.999
  384    HG3  PRO  38           HG3      PRO  38   4.557   7.702 -13.727
  385    HD2  PRO  38           HD2      PRO  38   1.695   7.137 -12.923
  386    HD3  PRO  38           HD3      PRO  38   2.896   6.049 -13.679
  387    H    LEU  39           H        LEU  39   1.634   7.731  -9.953
  388    HA   LEU  39           HA       LEU  39   2.222   9.110  -7.515
  389    HB2  LEU  39           HB2      LEU  39  -0.077   7.242  -8.215
  390    HB3  LEU  39           HB3      LEU  39  -0.033   8.306  -6.813
  391    HG   LEU  39           HG       LEU  39  -0.106   9.207  -9.720
  392   HD11  LEU  39          HD11      LEU  39  -2.199   9.238  -7.502
  393   HD12  LEU  39          HD12      LEU  39  -2.195   8.145  -8.896
  394   HD13  LEU  39          HD13      LEU  39  -2.407   9.890  -9.143
  395   HD21  LEU  39          HD21      LEU  39  -0.565  11.452  -8.742
  396   HD22  LEU  39          HD22      LEU  39   1.057  10.879  -8.338
  397   HD23  LEU  39          HD23      LEU  39  -0.240  10.804  -7.119
  398    H    LEU  40           H        LEU  40   1.938   5.587  -8.171
  399    HA   LEU  40           HA       LEU  40   2.331   4.825  -5.402
  400    HB2  LEU  40           HB2      LEU  40   1.125   3.353  -6.939
  401    HB3  LEU  40           HB3      LEU  40   2.507   3.264  -8.015
  402    HG   LEU  40           HG       LEU  40   3.812   2.049  -6.341
  403   HD11  LEU  40          HD11      LEU  40   1.337   2.314  -4.578
  404   HD12  LEU  40          HD12      LEU  40   2.950   2.976  -4.243
  405   HD13  LEU  40          HD13      LEU  40   2.706   1.227  -4.245
  406   HD21  LEU  40          HD21      LEU  40   2.110   0.866  -7.866
  407   HD22  LEU  40          HD22      LEU  40   1.086   0.743  -6.423
  408   HD23  LEU  40          HD23      LEU  40   2.680  -0.021  -6.441
  409    H    LEU  41           H        LEU  41   4.413   4.928  -8.323
  410    HA   LEU  41           HA       LEU  41   6.774   3.999  -7.099
  411    HB2  LEU  41           HB2      LEU  41   6.472   4.205  -9.511
  412    HB3  LEU  41           HB3      LEU  41   6.371   5.965  -9.385
  413    HG   LEU  41           HG       LEU  41   8.681   6.118  -8.657
  414   HD11  LEU  41          HD11      LEU  41  10.085   3.928  -8.826
  415   HD12  LEU  41          HD12      LEU  41   8.532   3.091  -8.675
  416   HD13  LEU  41          HD13      LEU  41   9.124   4.138  -7.361
  417   HD21  LEU  41          HD21      LEU  41   8.420   4.284 -11.066
  418   HD22  LEU  41          HD22      LEU  41   9.792   5.353 -10.703
  419   HD23  LEU  41          HD23      LEU  41   8.208   6.056 -11.065
  420    H    LYS  42           H        LYS  42   5.580   7.379  -7.280
  421    HA   LYS  42           HA       LYS  42   7.677   8.561  -5.745
  422    HB2  LYS  42           HB2      LYS  42   6.043   9.807  -7.096
  423    HB3  LYS  42           HB3      LYS  42   4.727   9.296  -6.038
  424    HG2  LYS  42           HG2      LYS  42   5.663  10.586  -4.166
  425    HG3  LYS  42           HG3      LYS  42   7.100  10.973  -5.124
  426    HD2  LYS  42           HD2      LYS  42   5.646  12.891  -5.099
  427    HD3  LYS  42           HD3      LYS  42   5.677  12.224  -6.738
  428    HE2  LYS  42           HE2      LYS  42   3.498  11.106  -6.334
  429    HE3  LYS  42           HE3      LYS  42   3.487  11.706  -4.670
  430    HZ1  LYS  42           HZ1      LYS  42   3.441  13.425  -7.098
  431    HZ2  LYS  42           HZ2      LYS  42   3.425  13.976  -5.562
  432    HZ3  LYS  42           HZ3      LYS  42   2.157  13.126  -6.136
  433    H    LEU  43           H        LEU  43   4.683   6.921  -4.664
  434    HA   LEU  43           HA       LEU  43   4.958   7.552  -1.869
  435    HB2  LEU  43           HB2      LEU  43   2.867   6.914  -2.908
  436    HB3  LEU  43           HB3      LEU  43   3.457   5.317  -3.297
  437    HG   LEU  43           HG       LEU  43   3.415   6.225  -0.415
  438   HD11  LEU  43          HD11      LEU  43   1.132   5.323  -0.224
  439   HD12  LEU  43          HD12      LEU  43   1.064   5.085  -1.987
  440   HD13  LEU  43          HD13      LEU  43   1.180   6.722  -1.294
  441   HD21  LEU  43          HD21      LEU  43   2.914   3.797  -0.041
  442   HD22  LEU  43          HD22      LEU  43   4.464   4.023  -0.826
  443   HD23  LEU  43          HD23      LEU  43   3.062   3.511  -1.785
  444    H    LEU  44           H        LEU  44   6.022   4.753  -3.836
  445    HA   LEU  44           HA       LEU  44   7.312   3.288  -1.728
  446    HB2  LEU  44           HB2      LEU  44   7.916   3.359  -4.715
  447    HB3  LEU  44           HB3      LEU  44   8.455   2.115  -3.599
  448    HG   LEU  44           HG       LEU  44   5.512   2.634  -4.165
  449   HD11  LEU  44          HD11      LEU  44   6.635   1.958  -6.251
  450   HD12  LEU  44          HD12      LEU  44   5.641   0.634  -5.627
  451   HD13  LEU  44          HD13      LEU  44   7.404   0.597  -5.414
  452   HD21  LEU  44          HD21      LEU  44   6.071   1.399  -2.057
  453   HD22  LEU  44          HD22      LEU  44   6.841   0.162  -3.096
  454   HD23  LEU  44          HD23      LEU  44   5.107   0.491  -3.228
  455    H    LYS  45           H        LYS  45   8.635   5.682  -4.079
  456    HA   LYS  45           HA       LYS  45  11.284   5.750  -2.945
  457    HB2  LYS  45           HB2      LYS  45   9.725   7.577  -4.770
  458    HB3  LYS  45           HB3      LYS  45  11.357   7.991  -4.233
  459    HG2  LYS  45           HG2      LYS  45  12.346   6.112  -5.272
  460    HG3  LYS  45           HG3      LYS  45  10.783   5.293  -5.504
  461    HD2  LYS  45           HD2      LYS  45  10.022   7.016  -7.004
  462    HD3  LYS  45           HD3      LYS  45  11.520   7.949  -6.813
  463    HE2  LYS  45           HE2      LYS  45  11.406   5.103  -7.827
  464    HE3  LYS  45           HE3      LYS  45  11.205   6.497  -8.901
  465    HZ1  LYS  45           HZ1      LYS  45  13.521   5.672  -8.825
  466    HZ2  LYS  45           HZ2      LYS  45  13.628   5.995  -7.243
  467    HZ3  LYS  45           HZ3      LYS  45  13.439   7.223  -8.310
  468    H    SER  46           H        SER  46   8.377   7.412  -1.888
  469    HA   SER  46           HA       SER  46   9.657   9.316  -0.160
  470    HB2  SER  46           HB2      SER  46   6.960   7.943   0.153
  471    HB3  SER  46           HB3      SER  46   7.529   9.327   1.093
  472    HG   SER  46           HG       SER  46   7.228   9.239  -1.740
  473    H    VAL  47           H        VAL  47   9.358   5.864   0.126
  474    HA   VAL  47           HA       VAL  47  10.750   5.989   2.766
  475    HB   VAL  47           HB       VAL  47   9.979   3.775   3.293
  476   HG11  VAL  47          HG11      VAL  47   8.657   5.770   3.976
  477   HG12  VAL  47          HG12      VAL  47   7.623   5.547   2.551
  478   HG13  VAL  47          HG13      VAL  47   7.697   4.293   3.811
  479   HG21  VAL  47          HG21      VAL  47   8.307   2.583   2.039
  480   HG22  VAL  47          HG22      VAL  47   8.170   3.886   0.846
  481   HG23  VAL  47          HG23      VAL  47   9.653   2.921   0.937
  482    H    GLY  48           H        GLY  48  11.783   6.172  -0.087
  483    HA2  GLY  48           HA2      GLY  48  13.918   5.892  -0.828
  484    HA3  GLY  48           HA3      GLY  48  14.277   4.934   0.605
  485    H    ALA  49           H        ALA  49  11.821   4.062  -1.924
  486    HA   ALA  49           HA       ALA  49  12.871   1.418  -2.112
  487    HB1  ALA  49           HB1      ALA  49  10.523   2.097  -2.333
  488    HB2  ALA  49           HB2      ALA  49  10.902   2.951  -3.857
  489    HB3  ALA  49           HB3      ALA  49  11.058   1.179  -3.727
  490    H    GLN  50           H        GLN  50  13.690   4.279  -3.840
  491    HA   GLN  50           HA       GLN  50  15.259   4.892  -5.255
  492    HB2  GLN  50           HB2      GLN  50  16.677   3.800  -3.647
  493    HB3  GLN  50           HB3      GLN  50  16.508   2.258  -4.474
  494    HG2  GLN  50           HG2      GLN  50  18.663   3.177  -4.981
  495    HG3  GLN  50           HG3      GLN  50  17.705   3.136  -6.448
  496   HE21  GLN  50          HE21      GLN  50  19.493   4.716  -7.118
  497   HE22  GLN  50          HE22      GLN  50  19.229   6.411  -6.728
  498    H    LYS  51           H        LYS  51  14.357   1.569  -6.243
  499    HA   LYS  51           HA       LYS  51  15.389   1.839  -8.942
  500    HB2  LYS  51           HB2      LYS  51  13.318  -0.113  -7.864
  501    HB3  LYS  51           HB3      LYS  51  14.235  -0.281  -9.358
  502    HG2  LYS  51           HG2      LYS  51  16.356  -0.322  -7.992
  503    HG3  LYS  51           HG3      LYS  51  15.359  -0.394  -6.530
  504    HD2  LYS  51           HD2      LYS  51  15.303  -2.403  -8.825
  505    HD3  LYS  51           HD3      LYS  51  16.138  -2.632  -7.282
  506    HE2  LYS  51           HE2      LYS  51  14.016  -2.560  -6.057
  507    HE3  LYS  51           HE3      LYS  51  13.131  -2.182  -7.540
  508    HZ1  LYS  51           HZ1      LYS  51  13.777  -4.333  -8.426
  509    HZ2  LYS  51           HZ2      LYS  51  12.982  -4.533  -7.006
  510    HZ3  LYS  51           HZ3      LYS  51  14.599  -4.711  -7.051
  511    H    ASP  52           H        ASP  52  13.957   1.356 -10.866
  512    HA   ASP  52           HA       ASP  52  11.510   3.060 -10.912
  513    HB2  ASP  52           HB2      ASP  52  11.783   3.058 -13.364
  514    HB3  ASP  52           HB3      ASP  52  13.110   3.808 -12.487
  515    H    THR  53           H        THR  53  12.377  -0.194 -10.727
  516    HA   THR  53           HA       THR  53   9.733  -1.200 -11.684
  517    HB   THR  53           HB       THR  53  11.162  -3.169 -12.615
  518    HG1  THR  53           HG1      THR  53  13.066  -1.083 -12.909
  519   HG21  THR  53          HG21      THR  53  11.157  -0.570 -14.182
  520   HG22  THR  53          HG22      THR  53   9.816  -1.733 -14.066
  521   HG23  THR  53          HG23      THR  53  11.337  -2.220 -14.833
  522    H    TYR  54           H        TYR  54   9.100  -3.026 -10.557
  523    HA   TYR  54           HA       TYR  54  10.791  -4.004  -8.300
  524    HB2  TYR  54           HB2      TYR  54   8.075  -2.660  -8.053
  525    HB3  TYR  54           HB3      TYR  54   8.905  -3.491  -6.749
  526    HD1  TYR  54           HD1      TYR  54  10.864  -2.521  -5.634
  527    HD2  TYR  54           HD2      TYR  54   8.863  -0.481  -8.867
  528    HE1  TYR  54           HE1      TYR  54  12.028  -0.395  -5.028
  529    HE2  TYR  54           HE2      TYR  54  10.077   1.614  -8.286
  530    HH   TYR  54           HH       TYR  54  11.783   2.503  -7.050
  531    H    THR  55           H        THR  55  10.025  -5.881  -7.191
  532    HA   THR  55           HA       THR  55   8.124  -7.547  -8.716
  533    HB   THR  55           HB       THR  55   8.612  -9.373  -7.504
  534    HG1  THR  55           HG1      THR  55   9.569  -9.283  -5.439
  535   HG21  THR  55          HG21      THR  55  11.008  -9.591  -7.209
  536   HG22  THR  55          HG22      THR  55  11.219  -7.831  -7.168
  537   HG23  THR  55          HG23      THR  55  10.689  -8.633  -8.664
  538    H    MET  56           H        MET  56   6.101  -8.464  -7.784
  539    HA   MET  56           HA       MET  56   4.503  -6.513  -6.464
  540    HB2  MET  56           HB2      MET  56   4.136  -9.531  -6.680
  541    HB3  MET  56           HB3      MET  56   2.895  -8.393  -6.144
  542    HG2  MET  56           HG2      MET  56   4.203  -8.433  -8.892
  543    HG3  MET  56           HG3      MET  56   2.603  -8.985  -8.513
  544    HE1  MET  56           HE1      MET  56   0.452  -6.045  -8.246
  545    HE2  MET  56           HE2      MET  56   0.714  -7.768  -8.676
  546    HE3  MET  56           HE3      MET  56   1.091  -7.204  -7.037
  547    H    LYS  57           H        LYS  57   6.584  -9.017  -5.088
  548    HA   LYS  57           HA       LYS  57   5.665  -8.828  -2.352
  549    HB2  LYS  57           HB2      LYS  57   7.158 -10.638  -3.566
  550    HB3  LYS  57           HB3      LYS  57   8.479  -9.522  -3.264
  551    HG2  LYS  57           HG2      LYS  57   8.646 -10.837  -1.405
  552    HG3  LYS  57           HG3      LYS  57   7.576  -9.582  -0.754
  553    HD2  LYS  57           HD2      LYS  57   5.611 -11.038  -1.217
  554    HD3  LYS  57           HD3      LYS  57   6.681 -12.255  -1.943
  555    HE2  LYS  57           HE2      LYS  57   7.917 -12.370   0.275
  556    HE3  LYS  57           HE3      LYS  57   6.655 -11.345   0.962
  557    HZ1  LYS  57           HZ1      LYS  57   6.109 -13.629   1.378
  558    HZ2  LYS  57           HZ2      LYS  57   6.289 -14.056  -0.194
  559    HZ3  LYS  57           HZ3      LYS  57   5.035 -13.103   0.256
  560    H    GLU  58           H        GLU  58   8.276  -7.214  -4.203
  561    HA   GLU  58           HA       GLU  58   9.243  -5.546  -2.065
  562    HB2  GLU  58           HB2      GLU  58   9.329  -5.259  -5.081
  563    HB3  GLU  58           HB3      GLU  58  10.129  -4.142  -3.973
  564    HG2  GLU  58           HG2      GLU  58  11.545  -5.887  -3.085
  565    HG3  GLU  58           HG3      GLU  58  10.711  -7.125  -4.027
  566    H    VAL  59           H        VAL  59   6.781  -4.917  -4.620
  567    HA   VAL  59           HA       VAL  59   6.185  -2.226  -3.841
  568    HB   VAL  59           HB       VAL  59   4.427  -4.327  -5.173
  569   HG11  VAL  59          HG11      VAL  59   3.937  -1.333  -4.847
  570   HG12  VAL  59          HG12      VAL  59   2.999  -2.425  -5.895
  571   HG13  VAL  59          HG13      VAL  59   2.954  -2.631  -4.145
  572   HG21  VAL  59          HG21      VAL  59   5.910  -1.902  -6.302
  573   HG22  VAL  59          HG22      VAL  59   6.407  -3.590  -6.498
  574   HG23  VAL  59          HG23      VAL  59   4.898  -3.038  -7.224
  575    H    LEU  60           H        LEU  60   4.590  -5.332  -2.796
  576    HA   LEU  60           HA       LEU  60   2.866  -4.084  -0.884
  577    HB2  LEU  60           HB2      LEU  60   4.042  -6.874  -1.134
  578    HB3  LEU  60           HB3      LEU  60   3.039  -6.440   0.242
  579    HG   LEU  60           HG       LEU  60   2.085  -6.200  -2.639
  580   HD11  LEU  60          HD11      LEU  60   0.824  -8.255  -2.198
  581   HD12  LEU  60          HD12      LEU  60   1.512  -8.349  -0.563
  582   HD13  LEU  60          HD13      LEU  60   2.557  -8.556  -1.991
  583   HD21  LEU  60          HD21      LEU  60  -0.166  -6.139  -1.559
  584   HD22  LEU  60          HD22      LEU  60   0.817  -4.760  -1.061
  585   HD23  LEU  60          HD23      LEU  60   0.606  -6.132   0.042
  586    H    PHE  61           H        PHE  61   6.212  -5.363  -0.459
  587    HA   PHE  61           HA       PHE  61   6.397  -4.790   2.290
  588    HB2  PHE  61           HB2      PHE  61   8.007  -6.228   1.437
  589    HB3  PHE  61           HB3      PHE  61   8.455  -5.123   0.154
  590    HD1  PHE  61           HD2      PHE  61   8.764  -5.739   3.805
  591    HD2  PHE  61           HD1      PHE  61  10.107  -3.388   0.445
  592    HE1  PHE  61           HE2      PHE  61  10.604  -4.810   5.189
  593    HE2  PHE  61           HE1      PHE  61  11.953  -2.475   1.829
  594    HZ   PHE  61           HZ       PHE  61  12.200  -3.173   4.204
  595    H    TYR  62           H        TYR  62   7.522  -2.635  -0.329
  596    HA   TYR  62           HA       TYR  62   8.116  -0.504   1.477
  597    HB2  TYR  62           HB2      TYR  62   7.868  -0.675  -1.482
  598    HB3  TYR  62           HB3      TYR  62   8.134   0.875  -0.686
  599    HD1  TYR  62           HD2      TYR  62  10.147   0.727   1.199
  600    HD2  TYR  62           HD1      TYR  62   9.753  -1.665  -2.371
  601    HE1  TYR  62           HE2      TYR  62  12.612   0.391   1.147
  602    HE2  TYR  62           HE1      TYR  62  12.206  -2.023  -2.405
  603    HH   TYR  62           HH       TYR  62  14.213  -1.609  -1.361
  604    H    LEU  63           H        LEU  63   5.135  -1.118  -0.376
  605    HA   LEU  63           HA       LEU  63   3.779   1.292   0.320
  606    HB2  LEU  63           HB2      LEU  63   3.076  -0.198  -1.470
  607    HB3  LEU  63           HB3      LEU  63   2.843  -1.526  -0.330
  608    HG   LEU  63           HG       LEU  63   0.928  -0.410   0.683
  609   HD11  LEU  63          HD11      LEU  63   1.444   1.777  -1.376
  610   HD12  LEU  63          HD12      LEU  63   1.503   1.947   0.399
  611   HD13  LEU  63          HD13      LEU  63  -0.030   1.608  -0.405
  612   HD21  LEU  63          HD21      LEU  63   0.624  -1.867  -1.319
  613   HD22  LEU  63          HD22      LEU  63   0.777  -0.442  -2.366
  614   HD23  LEU  63          HD23      LEU  63  -0.589  -0.579  -1.243
  615    H    GLY  64           H        GLY  64   3.891  -1.909   1.966
  616    HA2  GLY  64           HA2      GLY  64   2.262  -1.251   4.211
  617    HA3  GLY  64           HA3      GLY  64   3.514  -2.498   4.144
  618    H    GLN  65           H        GLN  65   5.893  -0.904   3.761
  619    HA   GLN  65           HA       GLN  65   6.431   0.070   6.354
  620    HB2  GLN  65           HB2      GLN  65   8.114  -0.941   5.088
  621    HB3  GLN  65           HB3      GLN  65   7.642  -0.110   3.616
  622    HG2  GLN  65           HG2      GLN  65   9.635   0.709   4.099
  623    HG3  GLN  65           HG3      GLN  65   8.524   2.007   4.504
  624   HE21  GLN  65          HE21      GLN  65   7.936   2.122   6.988
  625   HE22  GLN  65          HE22      GLN  65   9.204   1.643   8.117
  626    H    TYR  66           H        TYR  66   5.342   1.734   3.348
  627    HA   TYR  66           HA       TYR  66   5.599   4.379   4.459
  628    HB2  TYR  66           HB2      TYR  66   5.586   4.187   2.113
  629    HB3  TYR  66           HB3      TYR  66   4.071   3.314   2.114
  630    HD1  TYR  66           HD1      TYR  66   1.890   4.471   2.529
  631    HD2  TYR  66           HD2      TYR  66   5.625   6.617   2.288
  632    HE1  TYR  66           HE1      TYR  66   0.650   6.603   2.213
  633    HE2  TYR  66           HE2      TYR  66   4.383   8.743   1.964
  634    HH   TYR  66           HH       TYR  66   0.801   8.881   1.888
  635    H    ILE  67           H        ILE  67   2.777   2.236   4.208
  636    HA   ILE  67           HA       ILE  67   0.927   3.869   5.617
  637    HB   ILE  67           HB       ILE  67   1.149   0.854   5.325
  638   HG12  ILE  67          HG12      ILE  67  -0.764   2.727   3.882
  639   HG13  ILE  67          HG13      ILE  67   0.835   2.397   3.237
  640   HG21  ILE  67          HG21      ILE  67  -1.334   2.416   6.154
  641   HG22  ILE  67          HG22      ILE  67  -1.212   0.681   5.917
  642   HG23  ILE  67          HG23      ILE  67  -0.359   1.427   7.260
  643   HD11  ILE  67          HD11      ILE  67  -1.339   0.326   3.688
  644   HD12  ILE  67          HD12      ILE  67  -0.737   0.948   2.146
  645   HD13  ILE  67          HD13      ILE  67   0.326  -0.037   3.168
  646    H    MET  68           H        MET  68   3.245   1.468   6.846
  647    HA   MET  68           HA       MET  68   2.666   1.658   9.616
  648    HB2  MET  68           HB2      MET  68   3.999  -0.139   8.601
  649    HB3  MET  68           HB3      MET  68   5.237   1.024   8.138
  650    HG2  MET  68           HG2      MET  68   5.365   1.495  10.738
  651    HG3  MET  68           HG3      MET  68   4.598  -0.086  10.857
  652    HE1  MET  68           HE1      MET  68   7.350  -2.367   9.086
  653    HE2  MET  68           HE2      MET  68   5.762  -2.345   9.877
  654    HE3  MET  68           HE3      MET  68   5.972  -1.598   8.274
  655    H    THR  69           H        THR  69   5.330   3.324   7.789
  656    HA   THR  69           HA       THR  69   6.111   4.802  10.088
  657    HB   THR  69           HB       THR  69   7.540   4.139   8.094
  658    HG1  THR  69           HG1      THR  69   8.430   5.284   9.720
  659   HG21  THR  69          HG21      THR  69   6.205   5.371   6.347
  660   HG22  THR  69          HG22      THR  69   7.921   5.799   6.390
  661   HG23  THR  69          HG23      THR  69   6.720   6.903   7.087
  662    H    LYS  70           H        LYS  70   3.918   5.729   7.515
  663    HA   LYS  70           HA       LYS  70   3.478   8.427   8.616
  664    HB2  LYS  70           HB2      LYS  70   2.071   6.831   6.445
  665    HB3  LYS  70           HB3      LYS  70   1.703   8.502   6.836
  666    HG2  LYS  70           HG2      LYS  70   4.342   7.430   5.742
  667    HG3  LYS  70           HG3      LYS  70   3.107   8.290   4.840
  668    HD2  LYS  70           HD2      LYS  70   4.783   9.469   7.096
  669    HD3  LYS  70           HD3      LYS  70   5.024   9.719   5.366
  670    HE2  LYS  70           HE2      LYS  70   2.758  10.731   5.185
  671    HE3  LYS  70           HE3      LYS  70   2.533  10.531   6.929
  672    HZ1  LYS  70           HZ1      LYS  70   3.300  12.770   6.394
  673    HZ2  LYS  70           HZ2      LYS  70   4.643  12.203   5.666
  674    HZ3  LYS  70           HZ3      LYS  70   4.442  12.014   7.278
  675    H    ARG  71           H        ARG  71   2.602   5.491   9.835
  676    HA   ARG  71           HA       ARG  71   1.056   4.658  11.172
  677    HB2  ARG  71           HB2      ARG  71   2.152   6.744  12.372
  678    HB3  ARG  71           HB3      ARG  71   0.535   7.429  12.276
  679    HG2  ARG  71           HG2      ARG  71   0.275   4.715  13.228
  680    HG3  ARG  71           HG3      ARG  71   1.654   5.416  14.055
  681    HD2  ARG  71           HD2      ARG  71  -0.203   5.827  15.460
  682    HD3  ARG  71           HD3      ARG  71   0.122   7.388  14.682
  683    HE   ARG  71           HE       ARG  71  -1.726   6.059  13.034
  684   HH11  ARG  71          HH11      ARG  71  -1.841   7.489  16.244
  685   HH12  ARG  71          HH12      ARG  71  -3.588   7.591  16.185
  686   HH21  ARG  71          HH21      ARG  71  -3.890   5.949  13.213
  687   HH22  ARG  71          HH22      ARG  71  -4.712   6.782  14.522
  688    H    LEU  72           H        LEU  72  -0.032   4.997   8.697
  689    HA   LEU  72           HA       LEU  72  -2.514   6.499   8.742
  690    HB2  LEU  72           HB2      LEU  72  -1.487   4.392   6.825
  691    HB3  LEU  72           HB3      LEU  72  -2.887   5.409   6.532
  692    HG   LEU  72           HG       LEU  72  -0.001   6.300   6.788
  693   HD11  LEU  72          HD11      LEU  72  -0.616   5.198   4.643
  694   HD12  LEU  72          HD12      LEU  72  -0.217   6.911   4.437
  695   HD13  LEU  72          HD13      LEU  72  -1.915   6.387   4.425
  696   HD21  LEU  72          HD21      LEU  72  -0.840   8.550   6.078
  697   HD22  LEU  72          HD22      LEU  72  -1.383   8.088   7.691
  698   HD23  LEU  72          HD23      LEU  72  -2.503   7.963   6.312
  699    H    TYR  73           H        TYR  73  -1.838   3.480  10.127
  700    HA   TYR  73           HA       TYR  73  -4.494   2.371   9.845
  701    HB2  TYR  73           HB2      TYR  73  -3.853   0.882  11.733
  702    HB3  TYR  73           HB3      TYR  73  -2.903   0.773  10.266
  703    HD1  TYR  73           HD2      TYR  73  -0.537   1.529  10.181
  704    HD2  TYR  73           HD1      TYR  73  -2.873   1.740  13.808
  705    HE1  TYR  73           HE2      TYR  73   1.544   1.856  11.514
  706    HE2  TYR  73           HE1      TYR  73  -0.783   2.039  15.133
  707    HH   TYR  73           HH       TYR  73   2.454   2.123  13.597
  708    H    ASP  74           H        ASP  74  -6.232   2.290  11.297
  709    HA   ASP  74           HA       ASP  74  -6.639   4.615  12.972
  710    HB2  ASP  74           HB2      ASP  74  -8.521   3.886  11.947
  711    HB3  ASP  74           HB3      ASP  74  -8.258   2.206  12.336
  712    H    GLU  75           H        GLU  75  -6.303   5.005  15.094
  713    HA   GLU  75           HA       GLU  75  -4.718   3.288  16.717
  714    HB2  GLU  75           HB2      GLU  75  -5.290   4.818  18.537
  715    HB3  GLU  75           HB3      GLU  75  -4.733   5.645  17.106
  716    HG2  GLU  75           HG2      GLU  75  -7.704   5.362  17.690
  717    HG3  GLU  75           HG3      GLU  75  -6.731   6.585  18.487
  718    H    LYS  76           H        LYS  76  -8.206   3.368  16.313
  719    HA   LYS  76           HA       LYS  76  -8.658   1.487  18.576
  720    HB2  LYS  76           HB2      LYS  76 -10.655   2.454  16.498
  721    HB3  LYS  76           HB3      LYS  76 -11.008   1.553  17.958
  722    HG2  LYS  76           HG2      LYS  76  -9.969   4.411  17.757
  723    HG3  LYS  76           HG3      LYS  76 -11.581   3.899  18.223
  724    HD2  LYS  76           HD2      LYS  76  -9.025   3.427  19.824
  725    HD3  LYS  76           HD3      LYS  76 -10.274   4.629  20.158
  726    HE2  LYS  76           HE2      LYS  76 -11.948   2.804  20.469
  727    HE3  LYS  76           HE3      LYS  76 -10.677   1.604  20.198
  728    HZ1  LYS  76           HZ1      LYS  76 -11.028   1.996  22.566
  729    HZ2  LYS  76           HZ2      LYS  76 -10.703   3.586  22.413
  730    HZ3  LYS  76           HZ3      LYS  76  -9.524   2.482  22.163
  731    H    GLN  77           H        GLN  77  -9.408   1.292  15.040
  732    HA   GLN  77           HA       GLN  77  -8.934  -1.660  15.197
  733    HB2  GLN  77           HB2      GLN  77 -10.288  -0.014  13.030
  734    HB3  GLN  77           HB3      GLN  77 -10.105  -1.765  13.064
  735    HG2  GLN  77           HG2      GLN  77 -11.813  -0.051  14.896
  736    HG3  GLN  77           HG3      GLN  77 -12.350  -1.235  13.707
  737   HE21  GLN  77          HE21      GLN  77 -11.222  -3.606  14.197
  738   HE22  GLN  77          HE22      GLN  77 -11.327  -4.039  15.900
  739    H    GLN  78           H        GLN  78  -6.648  -1.624  15.229
  740    HA   GLN  78           HA       GLN  78  -5.096  -0.135  13.343
  741    HB2  GLN  78           HB2      GLN  78  -3.198  -1.414  14.173
  742    HB3  GLN  78           HB3      GLN  78  -4.219  -0.819  15.482
  743    HG2  GLN  78           HG2      GLN  78  -5.276  -3.109  15.644
  744    HG3  GLN  78           HG3      GLN  78  -4.146  -3.679  14.412
  745   HE21  GLN  78          HE21      GLN  78  -4.070  -5.062  16.718
  746   HE22  GLN  78          HE22      GLN  78  -2.602  -4.620  17.602
  747    H    HIS  79           H        HIS  79  -6.918  -2.937  12.812
  748    HA   HIS  79           HA       HIS  79  -5.429  -3.847  10.448
  749    HB2  HIS  79           HB2      HIS  79  -7.059  -5.546  10.310
  750    HB3  HIS  79           HB3      HIS  79  -6.682  -5.349  12.022
  751    HD1  HIS  79           HD1      HIS  79  -9.529  -4.459   9.528
  752    HD2  HIS  79           HD2      HIS  79  -8.706  -4.927  13.637
  753    HE1  HIS  79           HE1      HIS  79 -11.772  -4.337  10.730
  754    H    ILE  80           H        ILE  80  -7.302  -1.107  10.972
  755    HA   ILE  80           HA       ILE  80  -8.291  -1.056   8.151
  756    HB   ILE  80           HB       ILE  80  -9.298   0.558  10.518
  757   HG12  ILE  80          HG12      ILE  80 -10.497  -1.811   9.013
  758   HG13  ILE  80          HG13      ILE  80  -9.997  -1.761  10.703
  759   HG21  ILE  80          HG21      ILE  80 -10.994   1.419   8.967
  760   HG22  ILE  80          HG22      ILE  80  -9.405   1.794   8.340
  761   HG23  ILE  80          HG23      ILE  80 -10.325   0.442   7.643
  762   HD11  ILE  80          HD11      ILE  80 -12.370  -1.653  10.680
  763   HD12  ILE  80          HD12      ILE  80 -11.794  -0.034  11.126
  764   HD13  ILE  80          HD13      ILE  80 -12.389  -0.356   9.479
  765    H    VAL  81           H        VAL  81  -7.341   0.257   6.805
  766    HA   VAL  81           HA       VAL  81  -5.346   2.272   7.755
  767    HB   VAL  81           HB       VAL  81  -5.776   0.988   5.033
  768   HG11  VAL  81          HG11      VAL  81  -3.713   3.051   5.923
  769   HG12  VAL  81          HG12      VAL  81  -3.633   2.124   4.409
  770   HG13  VAL  81          HG13      VAL  81  -4.955   3.259   4.667
  771   HG21  VAL  81          HG21      VAL  81  -4.719  -0.505   6.691
  772   HG22  VAL  81          HG22      VAL  81  -3.575  -0.034   5.434
  773   HG23  VAL  81          HG23      VAL  81  -3.498   0.730   7.043
  774    H    TYR  82           H        TYR  82  -5.759   4.358   7.559
  775    HA   TYR  82           HA       TYR  82  -8.025   5.296   5.906
  776    HB2  TYR  82           HB2      TYR  82  -6.791   6.496   8.354
  777    HB3  TYR  82           HB3      TYR  82  -7.707   7.457   7.203
  778    HD1  TYR  82           HD1      TYR  82  -7.949   4.465   9.434
  779    HD2  TYR  82           HD2      TYR  82 -10.090   7.433   7.145
  780    HE1  TYR  82           HE1      TYR  82 -10.095   3.693  10.436
  781    HE2  TYR  82           HE2      TYR  82 -12.233   6.663   8.151
  782    HH   TYR  82           HH       TYR  82 -13.240   5.200   9.602
  783    H    CYS  83           H        CYS  83  -7.834   6.601   4.225
  784    HA   CYS  83           HA       CYS  83  -5.161   7.616   3.475
  785    HB2  CYS  83           HB2      CYS  83  -5.344   6.369   1.287
  786    HB3  CYS  83           HB3      CYS  83  -5.006   5.423   2.735
  787    HG   CYS  83           HG       CYS  83  -7.827   5.715   1.024
  788    H    SER  84           H        SER  84  -7.871   8.879   4.034
  789    HA   SER  84           HA       SER  84  -8.962   9.920   1.642
  790    HB2  SER  84           HB2      SER  84  -9.933  11.672   3.132
  791    HB3  SER  84           HB3      SER  84 -10.228  10.000   3.630
  792    HG   SER  84           HG       SER  84  -8.229  11.734   4.692
  793    H    ASN  85           H        ASN  85  -7.800  10.817   0.163
  794    HA   ASN  85           HA       ASN  85  -6.535  12.137  -1.062
  795    HB2  ASN  85           HB2      ASN  85  -6.952  14.488  -0.928
  796    HB3  ASN  85           HB3      ASN  85  -8.415  13.589  -0.563
  797   HD21  ASN  85          HD21      ASN  85  -5.696  15.317   1.001
  798   HD22  ASN  85          HD22      ASN  85  -6.663  15.885   2.363
  799    H    ASP  86           H        ASP  86  -5.014  11.121   1.475
  800    HA   ASP  86           HA       ASP  86  -2.671  12.902   1.164
  801    HB2  ASP  86           HB2      ASP  86  -1.736  11.747   3.163
  802    HB3  ASP  86           HB3      ASP  86  -3.073  12.863   3.359
  803    H    LEU  87           H        LEU  87  -2.715  11.990  -1.015
  804    HA   LEU  87           HA       LEU  87  -1.816  10.892  -2.728
  805    HB2  LEU  87           HB2      LEU  87   0.295  11.481  -1.783
  806    HB3  LEU  87           HB3      LEU  87   0.282  10.089  -0.709
  807    HG   LEU  87           HG       LEU  87   0.503   8.545  -2.609
  808   HD11  LEU  87          HD11      LEU  87  -0.573   9.779  -4.424
  809   HD12  LEU  87          HD12      LEU  87   1.108   9.432  -4.843
  810   HD13  LEU  87          HD13      LEU  87   0.652  11.068  -4.311
  811   HD21  LEU  87          HD21      LEU  87   2.526  10.825  -2.560
  812   HD22  LEU  87          HD22      LEU  87   2.819   9.210  -3.239
  813   HD23  LEU  87          HD23      LEU  87   2.513   9.398  -1.502
  814    H    LEU  88           H        LEU  88  -1.823   8.568   0.007
  815    HA   LEU  88           HA       LEU  88  -1.879   6.257  -1.593
  816    HB2  LEU  88           HB2      LEU  88  -1.234   6.337   0.759
  817    HB3  LEU  88           HB3      LEU  88  -2.885   6.738   1.235
  818    HG   LEU  88           HG       LEU  88  -3.670   4.517   0.456
  819   HD11  LEU  88          HD11      LEU  88  -0.716   4.038  -0.154
  820   HD12  LEU  88          HD12      LEU  88  -2.051   4.019  -1.332
  821   HD13  LEU  88          HD13      LEU  88  -1.949   2.782  -0.082
  822   HD21  LEU  88          HD21      LEU  88  -1.247   4.355   2.279
  823   HD22  LEU  88          HD22      LEU  88  -2.578   3.174   2.178
  824   HD23  LEU  88          HD23      LEU  88  -2.883   4.814   2.782
  825    H    GLY  89           H        GLY  89  -4.675   8.160  -0.446
  826    HA2  GLY  89           HA2      GLY  89  -6.728   6.360  -1.291
  827    HA3  GLY  89           HA3      GLY  89  -6.902   8.102  -1.072
  828    H    ASP  90           H        ASP  90  -4.736   8.595  -3.197
  829    HA   ASP  90           HA       ASP  90  -6.500   8.493  -5.532
  830    HB2  ASP  90           HB2      ASP  90  -3.667   9.498  -5.198
  831    HB3  ASP  90           HB3      ASP  90  -4.510   9.429  -6.737
  832    H    LEU  91           H        LEU  91  -3.878   6.522  -4.292
  833    HA   LEU  91           HA       LEU  91  -3.776   4.824  -6.667
  834    HB2  LEU  91           HB2      LEU  91  -2.683   4.509  -3.825
  835    HB3  LEU  91           HB3      LEU  91  -2.534   3.299  -5.070
  836    HG   LEU  91           HG       LEU  91  -0.497   4.334  -5.016
  837   HD11  LEU  91          HD11      LEU  91  -1.472   3.947  -7.295
  838   HD12  LEU  91          HD12      LEU  91  -0.216   5.185  -7.248
  839   HD13  LEU  91          HD13      LEU  91  -1.903   5.681  -7.349
  840   HD21  LEU  91          HD21      LEU  91  -1.709   7.092  -5.337
  841   HD22  LEU  91          HD22      LEU  91   0.003   6.659  -5.132
  842   HD23  LEU  91          HD23      LEU  91  -1.129   6.400  -3.806
  843    H    PHE  92           H        PHE  92  -5.027   4.250  -3.310
  844    HA   PHE  92           HA       PHE  92  -6.348   1.859  -4.207
  845    HB2  PHE  92           HB2      PHE  92  -6.252   3.210  -1.549
  846    HB3  PHE  92           HB3      PHE  92  -7.414   1.937  -1.853
  847    HD1  PHE  92           HD1      PHE  92  -6.428  -0.234  -3.072
  848    HD2  PHE  92           HD2      PHE  92  -4.234   2.457  -0.553
  849    HE1  PHE  92           HE1      PHE  92  -4.756  -2.036  -2.622
  850    HE2  PHE  92           HE2      PHE  92  -2.609   0.636  -0.029
  851    HZ   PHE  92           HZ       PHE  92  -2.868  -1.599  -1.077
  852    H    GLY  93           H        GLY  93  -7.558   5.063  -4.299
  853    HA2  GLY  93           HA2      GLY  93  -9.476   5.809  -5.315
  854    HA3  GLY  93           HA3      GLY  93  -9.959   4.144  -5.649
  855    H    VAL  94           H        VAL  94  -9.284   4.938  -2.322
  856    HA   VAL  94           HA       VAL  94 -12.135   5.364  -1.607
  857    HB   VAL  94           HB       VAL  94 -11.847   3.605   0.221
  858   HG11  VAL  94          HG11      VAL  94 -11.959   2.553  -2.619
  859   HG12  VAL  94          HG12      VAL  94 -12.598   1.772  -1.157
  860   HG13  VAL  94          HG13      VAL  94 -13.308   3.293  -1.722
  861   HG21  VAL  94          HG21      VAL  94  -9.389   3.220   0.022
  862   HG22  VAL  94          HG22      VAL  94 -10.347   1.738  -0.117
  863   HG23  VAL  94          HG23      VAL  94  -9.671   2.474  -1.571
  864    HA   PRO  95           HA       PRO  95 -10.167   7.824   1.602
  865    HB2  PRO  95           HB2      PRO  95 -12.159   8.054   3.448
  866    HB3  PRO  95           HB3      PRO  95 -12.267   8.808   1.828
  867    HG2  PRO  95           HG2      PRO  95 -13.429   6.135   2.710
  868    HG3  PRO  95           HG3      PRO  95 -14.271   7.481   1.874
  869    HD2  PRO  95           HD2      PRO  95 -13.262   5.363   0.517
  870    HD3  PRO  95           HD3      PRO  95 -13.189   7.013  -0.165
  871    H    SER  96           H        SER  96 -11.386   4.595   2.322
  872    HA   SER  96           HA       SER  96  -9.156   4.013   4.047
  873    HB2  SER  96           HB2      SER  96 -10.437   3.394   6.056
  874    HB3  SER  96           HB3      SER  96 -10.605   5.117   5.708
  875    HG   SER  96           HG       SER  96 -12.617   4.155   6.222
  876    H    PHE  97           H        PHE  97  -9.104   1.705   4.702
  877    HA   PHE  97           HA       PHE  97 -11.204  -0.088   3.732
  878    HB2  PHE  97           HB2      PHE  97  -9.815  -1.427   2.270
  879    HB3  PHE  97           HB3      PHE  97  -9.843   0.216   1.670
  880    HD1  PHE  97           HD2      PHE  97  -7.809  -2.401   3.243
  881    HD2  PHE  97           HD1      PHE  97  -7.772   1.611   1.686
  882    HE1  PHE  97           HE2      PHE  97  -5.327  -2.414   3.290
  883    HE2  PHE  97           HE1      PHE  97  -5.285   1.591   1.714
  884    HZ   PHE  97           HZ       PHE  97  -4.065  -0.448   2.502
  885    H    SER  98           H        SER  98 -10.983  -2.253   4.580
  886    HA   SER  98           HA       SER  98  -9.207  -2.521   6.946
  887    HB2  SER  98           HB2      SER  98 -11.546  -3.162   7.218
  888    HB3  SER  98           HB3      SER  98 -11.378  -4.352   5.912
  889    HG   SER  98           HG       SER  98 -11.084  -5.350   7.901
  890    H    VAL  99           H        VAL  99  -7.364  -3.610   6.906
  891    HA   VAL  99           HA       VAL  99  -6.150  -4.675   4.558
  892    HB   VAL  99           HB       VAL  99  -5.349  -5.158   7.404
  893   HG11  VAL  99          HG11      VAL  99  -3.044  -5.294   6.454
  894   HG12  VAL  99          HG12      VAL  99  -4.084  -6.596   5.881
  895   HG13  VAL  99          HG13      VAL  99  -3.737  -5.209   4.823
  896   HG21  VAL  99          HG21      VAL  99  -4.490  -2.903   5.534
  897   HG22  VAL  99          HG22      VAL  99  -5.533  -2.708   6.955
  898   HG23  VAL  99          HG23      VAL  99  -3.865  -3.217   7.170
  899    H    LYS 100           H        LYS 100  -8.288  -6.147   6.849
  900    HA   LYS 100           HA       LYS 100  -7.731  -8.940   6.392
  901    HB2  LYS 100           HB2      LYS 100 -10.291  -7.490   7.194
  902    HB3  LYS 100           HB3      LYS 100 -10.061  -9.237   7.264
  903    HG2  LYS 100           HG2      LYS 100  -8.314  -9.029   8.935
  904    HG3  LYS 100           HG3      LYS 100  -8.343  -7.259   8.832
  905    HD2  LYS 100           HD2      LYS 100 -10.638  -7.190   9.673
  906    HD3  LYS 100           HD3      LYS 100 -10.714  -8.964   9.713
  907    HE2  LYS 100           HE2      LYS 100  -8.972  -9.074  11.400
  908    HE3  LYS 100           HE3      LYS 100  -8.659  -7.340  11.274
  909    HZ1  LYS 100           HZ1      LYS 100 -11.238  -8.485  12.209
  910    HZ2  LYS 100           HZ2      LYS 100 -10.821  -6.895  12.214
  911    HZ3  LYS 100           HZ3      LYS 100 -10.059  -7.947  13.199
  912    H    GLU 101           H        GLU 101  -9.315  -6.586   4.363
  913    HA   GLU 101           HA       GLU 101 -10.772  -8.575   2.760
  914    HB2  GLU 101           HB2      GLU 101 -10.437  -5.577   2.386
  915    HB3  GLU 101           HB3      GLU 101 -11.484  -6.641   1.431
  916    HG2  GLU 101           HG2      GLU 101 -12.700  -7.302   3.501
  917    HG3  GLU 101           HG3      GLU 101 -11.728  -6.161   4.432
  918    H    HIS 102           H        HIS 102  -8.354  -9.499   2.741
  919    HA   HIS 102           HA       HIS 102  -6.305  -8.511   1.259
  920    HB2  HIS 102           HB2      HIS 102  -7.108 -11.444   1.357
  921    HB3  HIS 102           HB3      HIS 102  -5.493 -10.817   1.055
  922    HD1  HIS 102           HD1      HIS 102  -4.619  -9.191   3.367
  923    HD2  HIS 102           HD2      HIS 102  -7.448 -12.274   3.771
  924    HE1  HIS 102           HE1      HIS 102  -4.454  -9.988   5.771
  925    H    ARG 103           H        ARG 103  -8.869 -10.569  -0.173
  926    HA   ARG 103           HA       ARG 103  -7.716 -10.571  -2.819
  927    HB2  ARG 103           HB2      ARG 103  -9.761 -11.652  -3.517
  928    HB3  ARG 103           HB3      ARG 103  -9.172 -12.330  -1.999
  929    HG2  ARG 103           HG2      ARG 103 -10.870 -10.895  -0.768
  930    HG3  ARG 103           HG3      ARG 103 -11.526 -10.421  -2.345
  931    HD2  ARG 103           HD2      ARG 103 -12.044 -12.784  -2.846
  932    HD3  ARG 103           HD3      ARG 103 -11.302 -13.272  -1.312
  933    HE   ARG 103           HE       ARG 103 -13.669 -11.424  -1.435
  934   HH11  ARG 103          HH11      ARG 103 -12.455 -14.495  -0.250
  935   HH12  ARG 103          HH12      ARG 103 -13.617 -14.538   1.053
  936   HH21  ARG 103          HH21      ARG 103 -15.190 -11.625   0.155
  937   HH22  ARG 103          HH22      ARG 103 -15.184 -13.018   1.194
  938    H    LYS 104           H        LYS 104  -9.900  -8.296  -1.260
  939    HA   LYS 104           HA       LYS 104 -10.554  -6.852  -3.739
  940    HB2  LYS 104           HB2      LYS 104 -11.956  -6.865  -1.571
  941    HB3  LYS 104           HB3      LYS 104 -10.739  -5.768  -0.902
  942    HG2  LYS 104           HG2      LYS 104 -11.170  -4.263  -2.967
  943    HG3  LYS 104           HG3      LYS 104 -12.499  -5.356  -3.358
  944    HD2  LYS 104           HD2      LYS 104 -13.578  -3.640  -2.210
  945    HD3  LYS 104           HD3      LYS 104 -13.356  -4.855  -0.941
  946    HE2  LYS 104           HE2      LYS 104 -11.202  -3.614  -0.308
  947    HE3  LYS 104           HE3      LYS 104 -11.672  -2.361  -1.472
  948    HZ1  LYS 104           HZ1      LYS 104 -13.785  -2.168  -0.134
  949    HZ2  LYS 104           HZ2      LYS 104 -12.445  -1.726   0.698
  950    HZ3  LYS 104           HZ3      LYS 104 -13.118  -3.187   0.979
  951    H    ILE 105           H        ILE 105  -8.278  -6.421  -1.001
  952    HA   ILE 105           HA       ILE 105  -6.941  -4.110  -2.009
  953    HB   ILE 105           HB       ILE 105  -5.949  -6.366  -0.240
  954   HG12  ILE 105          HG12      ILE 105  -6.689  -3.470   0.406
  955   HG13  ILE 105          HG13      ILE 105  -7.829  -4.806   0.532
  956   HG21  ILE 105          HG21      ILE 105  -4.573  -3.734  -0.944
  957   HG22  ILE 105          HG22      ILE 105  -4.053  -4.829   0.350
  958   HG23  ILE 105          HG23      ILE 105  -3.972  -5.362  -1.320
  959   HD11  ILE 105          HD11      ILE 105  -6.998  -4.404   2.692
  960   HD12  ILE 105          HD12      ILE 105  -6.303  -5.937   2.171
  961   HD13  ILE 105          HD13      ILE 105  -5.307  -4.449   2.185
  962    H    TYR 106           H        TYR 106  -6.169  -7.591  -2.603
  963    HA   TYR 106           HA       TYR 106  -4.121  -7.194  -4.446
  964    HB2  TYR 106           HB2      TYR 106  -6.239  -9.330  -4.147
  965    HB3  TYR 106           HB3      TYR 106  -5.191  -9.346  -5.541
  966    HD1  TYR 106           HD2      TYR 106  -3.655  -8.288  -2.317
  967    HD2  TYR 106           HD1      TYR 106  -4.580 -11.583  -4.949
  968    HE1  TYR 106           HE2      TYR 106  -1.902  -9.662  -1.219
  969    HE2  TYR 106           HE1      TYR 106  -2.817 -12.956  -3.842
  970    HH   TYR 106           HH       TYR 106  -0.849 -11.692  -1.141
  971    H    THR 107           H        THR 107  -7.611  -7.228  -5.403
  972    HA   THR 107           HA       THR 107  -6.875  -6.651  -8.121
  973    HB   THR 107           HB       THR 107  -9.035  -7.751  -7.321
  974    HG1  THR 107           HG1      THR 107  -8.691  -7.460  -9.445
  975   HG21  THR 107          HG21      THR 107  -9.914  -5.870  -5.955
  976   HG22  THR 107          HG22      THR 107 -10.992  -6.288  -7.291
  977   HG23  THR 107          HG23      THR 107  -9.966  -4.843  -7.404
  978    H    MET 108           H        MET 108  -7.688  -4.456  -5.461
  979    HA   MET 108           HA       MET 108  -7.658  -2.056  -7.085
  980    HB2  MET 108           HB2      MET 108  -7.072  -2.433  -4.123
  981    HB3  MET 108           HB3      MET 108  -7.307  -0.887  -4.960
  982    HG2  MET 108           HG2      MET 108  -9.595  -1.597  -5.605
  983    HG3  MET 108           HG3      MET 108  -9.412  -3.047  -4.633
  984    HE1  MET 108           HE1      MET 108  -7.781  -1.811  -2.014
  985    HE2  MET 108           HE2      MET 108  -9.144  -1.420  -0.958
  986    HE3  MET 108           HE3      MET 108  -9.131  -2.957  -1.860
  987    H    MET 109           H        MET 109  -5.114  -3.847  -5.332
  988    HA   MET 109           HA       MET 109  -3.077  -1.874  -5.907
  989    HB2  MET 109           HB2      MET 109  -1.828  -2.959  -4.400
  990    HB3  MET 109           HB3      MET 109  -3.372  -3.459  -3.866
  991    HG2  MET 109           HG2      MET 109  -2.236  -5.424  -3.746
  992    HG3  MET 109           HG3      MET 109  -2.892  -5.593  -5.366
  993    HE1  MET 109           HE1      MET 109   0.009  -4.327  -3.224
  994    HE2  MET 109           HE2      MET 109   1.473  -4.534  -4.223
  995    HE3  MET 109           HE3      MET 109   0.358  -3.184  -4.527
  996    H    ALA 110           H        ALA 110  -4.052  -4.930  -7.484
  997    HA   ALA 110           HA       ALA 110  -1.874  -5.005  -9.363
  998    HB1  ALA 110           HB1      ALA 110  -3.433  -6.396 -10.690
  999    HB2  ALA 110           HB2      ALA 110  -3.409  -6.892  -8.986
 1000    HB3  ALA 110           HB3      ALA 110  -4.772  -5.934  -9.616
 1001    H    SER 111           H        SER 111  -4.930  -3.164  -9.298
 1002    HA   SER 111           HA       SER 111  -4.667  -1.969 -11.904
 1003    HB2  SER 111           HB2      SER 111  -6.182  -0.993  -9.451
 1004    HB3  SER 111           HB3      SER 111  -6.334  -0.346 -11.088
 1005    HG   SER 111           HG       SER 111  -7.017  -2.947 -10.161
 1006    H    MET 112           H        MET 112  -2.663  -1.474  -9.211
 1007    HA   MET 112           HA       MET 112  -1.916   1.284  -9.978
 1008    HB2  MET 112           HB2      MET 112  -0.579  -0.506  -7.936
 1009    HB3  MET 112           HB3      MET 112  -0.395   1.237  -8.147
 1010    HG2  MET 112           HG2      MET 112  -2.689   1.624  -7.415
 1011    HG3  MET 112           HG3      MET 112  -2.974  -0.115  -7.301
 1012    HE1  MET 112           HE1      MET 112  -3.082   0.970  -3.596
 1013    HE2  MET 112           HE2      MET 112  -3.871   1.457  -5.115
 1014    HE3  MET 112           HE3      MET 112  -3.729  -0.256  -4.708
 1015    H    THR 113           H        THR 113  -1.083  -1.901 -10.902
 1016    HA   THR 113           HA       THR 113   1.465  -0.996 -12.121
 1017    HB   THR 113           HB       THR 113   2.710  -2.739 -11.401
 1018    HG1  THR 113           HG1      THR 113   1.798  -4.599 -10.424
 1019   HG21  THR 113          HG21      THR 113   2.125  -1.275  -9.429
 1020   HG22  THR 113          HG22      THR 113   2.572  -2.926  -8.991
 1021   HG23  THR 113          HG23      THR 113   0.864  -2.450  -8.989
 1022    H    GLY 114           H        GLY 114  -1.437  -2.640 -12.731
 1023    HA2  GLY 114           HA2      GLY 114  -0.621  -3.097 -15.557
 1024    HA3  GLY 114           HA3      GLY 114  -1.312  -4.432 -14.631
 1025    H    GLY 115           H        GLY 115  -3.053  -4.499 -16.158
 1026    HA2  GLY 115           HA2      GLY 115  -5.339  -4.148 -16.592
 1027    HA3  GLY 115           HA3      GLY 115  -5.321  -2.705 -15.586
 1028    H    GLN 116           H        GLN 116  -6.418  -1.443 -17.112
 1029    HA   GLN 116           HA       GLN 116  -4.844  -0.414 -19.386
 1030    HB2  GLN 116           HB2      GLN 116  -6.652  -0.727 -20.984
 1031    HB3  GLN 116           HB3      GLN 116  -6.077  -2.277 -20.394
 1032    HG2  GLN 116           HG2      GLN 116  -8.042  -2.675 -19.119
 1033    HG3  GLN 116           HG3      GLN 116  -8.516  -0.979 -19.120
 1034   HE21  GLN 116          HE21      GLN 116  -9.279   0.007 -21.196
 1035   HE22  GLN 116          HE22      GLN 116  -9.963  -1.070 -22.414
 1036    H    GLN 117           H        GLN 117  -5.899   1.459 -20.442
 1037    HA   GLN 117           HA       GLN 117  -7.044   3.370 -18.566
 1038    HB2  GLN 117           HB2      GLN 117  -6.759   3.469 -21.601
 1039    HB3  GLN 117           HB3      GLN 117  -7.221   4.821 -20.572
 1040    HG2  GLN 117           HG2      GLN 117  -4.524   3.393 -20.568
 1041    HG3  GLN 117           HG3      GLN 117  -4.873   4.992 -21.214
 1042   HE21  GLN 117          HE21      GLN 117  -5.808   6.624 -19.511
 1043   HE22  GLN 117          HE22      GLN 117  -5.154   6.484 -17.884
 1044    H    MET 118           H        MET 118  -9.129   4.242 -18.566
 1045    HA   MET 118           HA       MET 118 -11.289   2.424 -19.296
 1046    HB2  MET 118           HB2      MET 118 -12.720   3.967 -18.131
 1047    HB3  MET 118           HB3      MET 118 -11.270   3.663 -17.176
 1048    HG2  MET 118           HG2      MET 118 -10.314   5.828 -17.966
 1049    HG3  MET 118           HG3      MET 118 -11.794   6.147 -18.868
 1050    HE1  MET 118           HE1      MET 118 -14.438   6.855 -16.102
 1051    HE2  MET 118           HE2      MET 118 -14.080   6.819 -17.842
 1052    HE3  MET 118           HE3      MET 118 -14.182   5.301 -16.918
 1053    H    GLY 119           H        GLY 119  -9.760   4.979 -20.994
 1054    HA2  GLY 119           HA2      GLY 119 -11.063   4.773 -23.419
 1055    HA3  GLY 119           HA3      GLY 119 -12.015   5.974 -22.541
  Start of MODEL   20
    1    H1   MET -11           H1       MET -11   0.030  -8.906  21.480
    2    H2   MET -11           H2       MET -11   0.679  -7.977  22.660
    3    H3   MET -11           H3       MET -11   1.385  -8.045  21.181
    4    HA   MET -11           HA       MET -11  -1.290  -6.954  21.727
    5    HB2  MET -11           HB2      MET -11  -0.389  -4.727  21.296
    6    HB3  MET -11           HB3      MET -11   0.382  -5.472  22.692
    7    HG2  MET -11           HG2      MET -11   2.371  -6.016  21.312
    8    HG3  MET -11           HG3      MET -11   1.602  -5.274  19.905
    9    HE1  MET -11           HE1      MET -11   4.534  -4.684  21.077
   10    HE2  MET -11           HE2      MET -11   3.897  -3.962  19.581
   11    HE3  MET -11           HE3      MET -11   4.616  -2.927  20.836
   12    HA   PRO -10           HA       PRO -10  -1.772  -7.450  17.288
   13    HB2  PRO -10           HB2      PRO -10  -3.996  -5.936  16.851
   14    HB3  PRO -10           HB3      PRO -10  -4.054  -7.507  17.709
   15    HG2  PRO -10           HG2      PRO -10  -3.950  -4.728  18.926
   16    HG3  PRO -10           HG3      PRO -10  -5.059  -6.073  19.336
   17    HD2  PRO -10           HD2      PRO -10  -2.792  -5.555  20.771
   18    HD3  PRO -10           HD3      PRO -10  -3.381  -7.226  20.512
   19    H    ARG  -9           H        ARG  -9  -1.068  -6.348  15.492
   20    HA   ARG  -9           HA       ARG  -9  -0.752  -3.413  15.483
   21    HB2  ARG  -9           HB2      ARG  -9   1.569  -5.366  15.193
   22    HB3  ARG  -9           HB3      ARG  -9   1.642  -3.714  14.605
   23    HG2  ARG  -9           HG2      ARG  -9   1.283  -4.509  17.521
   24    HG3  ARG  -9           HG3      ARG  -9   2.768  -3.953  16.752
   25    HD2  ARG  -9           HD2      ARG  -9   1.590  -1.790  16.161
   26    HD3  ARG  -9           HD3      ARG  -9   0.215  -2.335  17.111
   27    HE   ARG  -9           HE       ARG  -9   1.427  -2.127  19.114
   28   HH11  ARG  -9          HH11      ARG  -9   3.424  -1.057  16.433
   29   HH12  ARG  -9          HH12      ARG  -9   4.433  -0.084  17.465
   30   HH21  ARG  -9          HH21      ARG  -9   2.771  -0.891  20.361
   31   HH22  ARG  -9          HH22      ARG  -9   4.071   0.002  19.626
   32    H    PHE  -8           H        PHE  -8  -0.504  -2.454  13.484
   33    HA   PHE  -8           HA       PHE  -8  -1.893  -3.499  11.328
   34    HB2  PHE  -8           HB2      PHE  -8  -1.628  -1.211  11.312
   35    HB3  PHE  -8           HB3      PHE  -8   0.105  -1.295  11.567
   36    HD1  PHE  -8           HD2      PHE  -8  -2.576  -1.626   9.021
   37    HD2  PHE  -8           HD1      PHE  -8   1.674  -1.592   9.743
   38    HE1  PHE  -8           HE2      PHE  -8  -2.151  -1.519   6.573
   39    HE2  PHE  -8           HE1      PHE  -8   2.090  -1.504   7.298
   40    HZ   PHE  -8           HZ       PHE  -8   0.178  -1.474   5.714
   41    H    TRP  -7           H        TRP  -7   1.641  -3.724  11.651
   42    HA   TRP  -7           HA       TRP  -7   2.032  -4.792   9.055
   43    HB2  TRP  -7           HB2      TRP  -7   3.770  -3.675  10.259
   44    HB3  TRP  -7           HB3      TRP  -7   3.769  -4.899  11.521
   45    HD1  TRP  -7           HD1      TRP  -7   5.097  -7.092  11.114
   46    HE1  TRP  -7           HE1      TRP  -7   6.666  -7.975   9.287
   47    HE3  TRP  -7           HE3      TRP  -7   4.133  -3.614   7.482
   48    HZ2  TRP  -7           HZ2      TRP  -7   7.366  -7.298   6.571
   49    HZ3  TRP  -7           HZ3      TRP  -7   5.258  -3.784   5.261
   50    HH2  TRP  -7           HH2      TRP  -7   6.864  -5.606   4.803
   51    H    GLU  -6           H        GLU  -6   1.124  -6.515  12.016
   52    HA   GLU  -6           HA       GLU  -6   1.759  -9.166  11.015
   53    HB2  GLU  -6           HB2      GLU  -6  -0.324  -8.264  13.057
   54    HB3  GLU  -6           HB3      GLU  -6   0.156  -9.937  12.731
   55    HG2  GLU  -6           HG2      GLU  -6   2.526  -9.314  13.324
   56    HG3  GLU  -6           HG3      GLU  -6   1.937  -7.729  13.839
   57    H    TYR  -5           H        TYR  -5  -1.064  -7.032  10.669
   58    HA   TYR  -5           HA       TYR  -5  -2.598  -8.943   9.100
   59    HB2  TYR  -5           HB2      TYR  -5  -2.964  -6.015   9.705
   60    HB3  TYR  -5           HB3      TYR  -5  -3.927  -6.849   8.504
   61    HD1  TYR  -5           HD2      TYR  -5  -3.069  -6.816  12.130
   62    HD2  TYR  -5           HD1      TYR  -5  -5.723  -8.287   9.063
   63    HE1  TYR  -5           HE2      TYR  -5  -4.641  -7.638  13.882
   64    HE2  TYR  -5           HE1      TYR  -5  -7.306  -9.082  10.817
   65    HH   TYR  -5           HH       TYR  -5  -7.720  -9.279  13.063
   66    H    TRP  -4           H        TRP  -4  -0.467  -6.243   8.279
   67    HA   TRP  -4           HA       TRP  -4  -0.906  -6.393   5.423
   68    HB2  TRP  -4           HB2      TRP  -4  -0.015  -4.456   6.861
   69    HB3  TRP  -4           HB3      TRP  -4   1.531  -5.307   6.899
   70    HD1  TRP  -4           HD1      TRP  -4   2.932  -5.372   4.645
   71    HE1  TRP  -4           HE1      TRP  -4   2.728  -4.203   2.367
   72    HE3  TRP  -4           HE3      TRP  -4  -1.804  -3.519   5.123
   73    HZ2  TRP  -4           HZ2      TRP  -4   0.636  -2.944   0.825
   74    HZ3  TRP  -4           HZ3      TRP  -4  -2.921  -2.415   3.198
   75    HH2  TRP  -4           HH2      TRP  -4  -1.723  -2.118   1.055
   76    H    LEU  -3           H        LEU  -3   1.557  -7.954   7.549
   77    HA   LEU  -3           HA       LEU  -3   3.097  -9.083   5.466
   78    HB2  LEU  -3           HB2      LEU  -3   3.662  -8.932   7.928
   79    HB3  LEU  -3           HB3      LEU  -3   2.518 -10.244   8.217
   80    HG   LEU  -3           HG       LEU  -3   3.966 -11.647   6.587
   81   HD11  LEU  -3          HD11      LEU  -3   5.199  -9.673   5.598
   82   HD12  LEU  -3          HD12      LEU  -3   6.278 -10.901   6.277
   83   HD13  LEU  -3          HD13      LEU  -3   5.948  -9.403   7.176
   84   HD21  LEU  -3          HD21      LEU  -3   5.638 -12.141   8.326
   85   HD22  LEU  -3          HD22      LEU  -3   4.018 -11.965   9.019
   86   HD23  LEU  -3          HD23      LEU  -3   5.198 -10.645   9.185
   87    H    ARG  -2           H        ARG  -2  -0.018 -10.083   6.758
   88    HA   ARG  -2           HA       ARG  -2  -0.046 -12.734   5.590
   89    HB2  ARG  -2           HB2      ARG  -2  -1.338 -12.231   7.569
   90    HB3  ARG  -2           HB3      ARG  -2  -2.236 -10.975   6.730
   91    HG2  ARG  -2           HG2      ARG  -2  -3.577 -12.985   7.026
   92    HG3  ARG  -2           HG3      ARG  -2  -3.354 -12.597   5.328
   93    HD2  ARG  -2           HD2      ARG  -2  -1.516 -14.368   5.241
   94    HD3  ARG  -2           HD3      ARG  -2  -1.906 -14.761   6.914
   95    HE   ARG  -2           HE       ARG  -2  -3.755 -15.933   6.186
   96   HH11  ARG  -2          HH11      ARG  -2  -2.839 -13.829   3.502
   97   HH12  ARG  -2          HH12      ARG  -2  -4.060 -14.526   2.465
   98   HH21  ARG  -2          HH21      ARG  -2  -5.227 -16.778   4.768
   99   HH22  ARG  -2          HH22      ARG  -2  -5.341 -16.160   3.148
  100    H    LEU  -1           H        LEU  -1  -0.444  -9.639   4.171
  101    HA   LEU  -1           HA       LEU  -1  -1.885 -10.546   1.782
  102    HB2  LEU  -1           HB2      LEU  -1  -0.075  -8.171   2.335
  103    HB3  LEU  -1           HB3      LEU  -1  -0.861  -8.420   0.810
  104    HG   LEU  -1           HG       LEU  -1  -2.431  -8.107   3.392
  105   HD11  LEU  -1          HD11      LEU  -1  -2.729  -5.763   2.662
  106   HD12  LEU  -1          HD12      LEU  -1  -1.630  -6.049   1.292
  107   HD13  LEU  -1          HD13      LEU  -1  -1.019  -6.138   2.948
  108   HD21  LEU  -1          HD21      LEU  -1  -3.204  -7.748   0.454
  109   HD22  LEU  -1          HD22      LEU  -1  -4.268  -7.541   1.855
  110   HD23  LEU  -1          HD23      LEU  -1  -3.635  -9.152   1.430
  111    H    MET   0           H        MET   0   1.570  -9.742   2.506
  112    HA   MET   0           HA       MET   0   2.418 -10.733  -0.042
  113    HB2  MET   0           HB2      MET   0   4.620 -10.197   0.591
  114    HB3  MET   0           HB3      MET   0   3.584  -8.947   1.256
  115    HG2  MET   0           HG2      MET   0   3.850  -9.800   3.484
  116    HG3  MET   0           HG3      MET   0   4.542 -11.315   2.908
  117    HE1  MET   0           HE1      MET   0   5.559  -7.652   1.684
  118    HE2  MET   0           HE2      MET   0   5.034  -7.571   3.400
  119    HE3  MET   0           HE3      MET   0   6.738  -7.293   2.970
  120    H    GLU   1           H        GLU   1   2.085 -12.315   3.069
  121    HA   GLU   1           HA       GLU   1   3.308 -14.830   2.068
  122    HB2  GLU   1           HB2      GLU   1   2.194 -14.092   4.804
  123    HB3  GLU   1           HB3      GLU   1   2.937 -15.634   4.397
  124    HG2  GLU   1           HG2      GLU   1   4.305 -12.921   4.432
  125    HG3  GLU   1           HG3      GLU   1   4.546 -14.251   5.551
  126    H    GLY   2           H        GLY   2   0.453 -13.539   1.360
  127    HA2  GLY   2           HA2      GLY   2  -1.452 -15.567   2.043
  128    HA3  GLY   2           HA3      GLY   2  -1.597 -14.355   0.764
  129    H    GLY   3           H        GLY   3   1.058 -15.620  -0.343
  130    HA2  GLY   3           HA2      GLY   3   0.942 -18.279  -1.008
  131    HA3  GLY   3           HA3      GLY   3  -0.145 -17.533  -2.180
  132    H    GLY   4           H        GLY   4   1.659 -18.615  -3.518
  133    HA2  GLY   4           HA2      GLY   4   4.157 -17.119  -3.886
  134    HA3  GLY   4           HA3      GLY   4   3.542 -18.428  -4.892
  135    H    GLU   5           H        GLU   5   0.994 -16.422  -4.832
  136    HA   GLU   5           HA       GLU   5   1.838 -14.524  -6.940
  137    HB2  GLU   5           HB2      GLU   5  -0.436 -16.525  -7.297
  138    HB3  GLU   5           HB3      GLU   5  -0.043 -15.182  -8.373
  139    HG2  GLU   5           HG2      GLU   5   2.186 -16.221  -8.814
  140    HG3  GLU   5           HG3      GLU   5   1.702 -17.618  -7.842
  141    H    ASN   6           H        ASN   6  -0.062 -13.064  -7.505
  142    HA   ASN   6           HA       ASN   6  -1.153 -11.890  -5.089
  143    HB2  ASN   6           HB2      ASN   6  -0.108 -10.693  -7.019
  144    HB3  ASN   6           HB3      ASN   6  -1.479 -11.159  -8.024
  145   HD21  ASN   6          HD21      ASN   6  -2.860  -9.480  -8.287
  146   HD22  ASN   6          HD22      ASN   6  -3.171  -8.236  -7.077
  147    H    LEU   7           H        LEU   7  -2.249 -14.333  -5.140
  148    HA   LEU   7           HA       LEU   7  -4.068 -15.644  -5.172
  149    HB2  LEU   7           HB2      LEU   7  -4.529 -13.700  -3.524
  150    HB3  LEU   7           HB3      LEU   7  -5.717 -13.174  -4.709
  151    HG   LEU   7           HG       LEU   7  -6.590 -15.700  -4.501
  152   HD11  LEU   7          HD11      LEU   7  -4.716 -16.479  -3.087
  153   HD12  LEU   7          HD12      LEU   7  -6.269 -16.609  -2.242
  154   HD13  LEU   7          HD13      LEU   7  -5.152 -15.288  -1.846
  155   HD21  LEU   7          HD21      LEU   7  -7.888 -13.719  -3.844
  156   HD22  LEU   7          HD22      LEU   7  -7.042 -13.668  -2.281
  157   HD23  LEU   7          HD23      LEU   7  -8.090 -15.045  -2.686
  158    H    TYR   8           H        TYR   8  -3.368 -15.004  -7.834
  159    HA   TYR   8           HA       TYR   8  -5.660 -14.342  -9.378
  160    HB2  TYR   8           HB2      TYR   8  -3.104 -15.742 -10.162
  161    HB3  TYR   8           HB3      TYR   8  -4.366 -15.309 -11.303
  162    HD1  TYR   8           HD1      TYR   8  -5.259 -12.688 -10.898
  163    HD2  TYR   8           HD2      TYR   8  -1.295 -14.261 -10.217
  164    HE1  TYR   8           HE1      TYR   8  -4.310 -10.395 -11.094
  165    HE2  TYR   8           HE2      TYR   8  -0.349 -11.968 -10.449
  166    HH   TYR   8           HH       TYR   8  -0.799  -9.761 -10.889
  167    H    PHE   9           H        PHE   9  -7.051 -15.495 -10.724
  168    HA   PHE   9           HA       PHE   9  -8.274 -17.627  -9.441
  169    HB2  PHE   9           HB2      PHE   9  -9.658 -16.308 -10.668
  170    HB3  PHE   9           HB3      PHE   9  -8.651 -16.368 -12.102
  171    HD1  PHE   9           HD1      PHE   9 -10.843 -18.568  -9.985
  172    HD2  PHE   9           HD2      PHE   9  -9.205 -17.781 -13.899
  173    HE1  PHE   9           HE1      PHE   9 -12.278 -20.354 -10.949
  174    HE2  PHE   9           HE2      PHE   9 -10.646 -19.563 -14.857
  175    HZ   PHE   9           HZ       PHE   9 -12.178 -20.855 -13.385
  176    H    GLN  10           H        GLN  10  -5.914 -17.997 -11.997
  177    HA   GLN  10           HA       GLN  10  -5.628 -20.820 -11.178
  178    HB2  GLN  10           HB2      GLN  10  -5.860 -19.948 -14.084
  179    HB3  GLN  10           HB3      GLN  10  -5.231 -21.512 -13.547
  180    HG2  GLN  10           HG2      GLN  10  -7.412 -21.988 -12.416
  181    HG3  GLN  10           HG3      GLN  10  -8.057 -20.482 -13.074
  182   HE21  GLN  10          HE21      GLN  10  -7.846 -20.283 -15.598
  183   HE22  GLN  10          HE22      GLN  10  -8.082 -21.777 -16.497
  184    H    GLY  11           H        GLY  11  -3.572 -21.411 -10.896
  185    HA2  GLY  11           HA2      GLY  11  -1.216 -20.672 -12.149
  186    HA3  GLY  11           HA3      GLY  11  -1.484 -19.408 -10.948
  187    H    MET  12           H        MET  12   0.741 -20.651 -10.496
  188    HA   MET  12           HA       MET  12   0.429 -23.082  -8.857
  189    HB2  MET  12           HB2      MET  12   2.828 -23.081  -8.686
  190    HB3  MET  12           HB3      MET  12   2.345 -22.885 -10.368
  191    HG2  MET  12           HG2      MET  12   2.851 -20.480 -10.263
  192    HG3  MET  12           HG3      MET  12   3.242 -20.616  -8.545
  193    HE1  MET  12           HE1      MET  12   5.179 -19.183 -10.509
  194    HE2  MET  12           HE2      MET  12   5.539 -19.450  -8.787
  195    HE3  MET  12           HE3      MET  12   6.745 -19.870 -10.024
  196    H    SER  13           H        SER  13   1.115 -23.271  -6.679
  197    HA   SER  13           HA       SER  13   1.198 -22.743  -4.476
  198    HB2  SER  13           HB2      SER  13   2.719 -20.348  -5.534
  199    HB3  SER  13           HB3      SER  13   2.792 -20.990  -3.880
  200    HG   SER  13           HG       SER  13   3.696 -22.198  -6.281
  201    H    VAL  14           H        VAL  14  -1.237 -21.671  -5.762
  202    HA   VAL  14           HA       VAL  14  -2.129 -19.842  -3.636
  203    HB   VAL  14           HB       VAL  14  -1.440 -18.967  -6.367
  204   HG11  VAL  14          HG11      VAL  14  -3.854 -19.089  -6.855
  205   HG12  VAL  14          HG12      VAL  14  -4.195 -18.096  -5.416
  206   HG13  VAL  14          HG13      VAL  14  -3.269 -17.437  -6.780
  207   HG21  VAL  14          HG21      VAL  14  -1.603 -16.733  -5.294
  208   HG22  VAL  14          HG22      VAL  14  -2.244 -17.493  -3.828
  209   HG23  VAL  14          HG23      VAL  14  -0.598 -17.863  -4.390
  210    HA   PRO  15           HA       PRO  15  -5.752 -22.380  -4.367
  211    HB2  PRO  15           HB2      PRO  15  -7.655 -21.001  -3.005
  212    HB3  PRO  15           HB3      PRO  15  -6.305 -21.833  -2.169
  213    HG2  PRO  15           HG2      PRO  15  -6.506 -18.904  -2.953
  214    HG3  PRO  15           HG3      PRO  15  -6.065 -19.587  -1.352
  215    HD2  PRO  15           HD2      PRO  15  -4.167 -18.815  -3.152
  216    HD3  PRO  15           HD3      PRO  15  -3.936 -20.258  -2.121
  217    H    THR  16           H        THR  16  -7.709 -22.474  -5.584
  218    HA   THR  16           HA       THR  16  -7.930 -20.848  -7.830
  219    HB   THR  16           HB       THR  16 -10.355 -22.304  -6.881
  220    HG1  THR  16           HG1      THR  16  -9.423 -24.245  -7.497
  221   HG21  THR  16          HG21      THR  16 -10.475 -23.018  -9.213
  222   HG22  THR  16          HG22      THR  16  -8.905 -22.255  -9.558
  223   HG23  THR  16          HG23      THR  16 -10.313 -21.256  -9.135
  224    H    ASP  17           H        ASP  17  -9.855 -20.578  -4.884
  225    HA   ASP  17           HA       ASP  17 -10.287 -17.763  -5.346
  226    HB2  ASP  17           HB2      ASP  17 -12.802 -17.871  -5.096
  227    HB3  ASP  17           HB3      ASP  17 -12.097 -18.224  -6.663
  228    H    GLY  18           H        GLY  18 -11.742 -20.341  -3.379
  229    HA2  GLY  18           HA2      GLY  18 -11.189 -18.835  -0.855
  230    HA3  GLY  18           HA3      GLY  18 -12.222 -20.253  -1.026
  231    H    ALA  19           H        ALA  19 -10.015 -19.809   0.845
  232    HA   ALA  19           HA       ALA  19  -7.647 -21.172  -0.016
  233    HB1  ALA  19           HB1      ALA  19  -6.877 -20.699   2.256
  234    HB2  ALA  19           HB2      ALA  19  -7.685 -19.285   1.565
  235    HB3  ALA  19           HB3      ALA  19  -8.534 -20.298   2.759
  236    H    VAL  20           H        VAL  20  -9.743 -22.992  -0.419
  237    HA   VAL  20           HA       VAL  20  -9.754 -25.039   1.658
  238    HB   VAL  20           HB       VAL  20 -11.169 -26.307   0.278
  239   HG11  VAL  20          HG11      VAL  20 -12.170 -24.236   1.267
  240   HG12  VAL  20          HG12      VAL  20 -11.925 -23.407  -0.290
  241   HG13  VAL  20          HG13      VAL  20 -13.001 -24.811  -0.186
  242   HG21  VAL  20          HG21      VAL  20 -10.032 -26.212  -1.889
  243   HG22  VAL  20          HG22      VAL  20 -11.716 -25.724  -2.070
  244   HG23  VAL  20          HG23      VAL  20 -10.443 -24.489  -2.059
  245    H    THR  21           H        THR  21  -7.575 -24.320  -0.879
  246    HA   THR  21           HA       THR  21  -6.575 -26.998  -1.281
  247    HB   THR  21           HB       THR  21  -5.079 -26.218  -2.809
  248    HG1  THR  21           HG1      THR  21  -4.313 -24.169  -2.898
  249   HG21  THR  21          HG21      THR  21  -6.257 -24.748  -4.310
  250   HG22  THR  21          HG22      THR  21  -7.264 -24.094  -3.002
  251   HG23  THR  21          HG23      THR  21  -7.455 -25.784  -3.523
  252    H    THR  22           H        THR  22  -4.252 -27.593  -1.053
  253    HA   THR  22           HA       THR  22  -3.665 -27.628   1.724
  254    HB   THR  22           HB       THR  22  -2.082 -29.191   1.407
  255    HG1  THR  22           HG1      THR  22  -0.882 -29.427  -0.474
  256   HG21  THR  22          HG21      THR  22  -2.808 -30.789  -0.240
  257   HG22  THR  22          HG22      THR  22  -3.610 -29.539  -1.210
  258   HG23  THR  22          HG23      THR  22  -4.247 -29.979   0.395
  259    H    SER  23           H        SER  23  -1.700 -27.172   2.859
  260    HA   SER  23           HA       SER  23  -0.898 -24.403   2.460
  261    HB2  SER  23           HB2      SER  23  -1.505 -25.503   4.658
  262    HB3  SER  23           HB3      SER  23   0.069 -26.315   4.606
  263    HG   SER  23           HG       SER  23   0.122 -24.336   5.784
  264    H    GLN  24           H        GLN  24   0.013 -25.775   0.277
  265    HA   GLN  24           HA       GLN  24   2.828 -26.503   0.459
  266    HB2  GLN  24           HB2      GLN  24   1.477 -27.493  -1.229
  267    HB3  GLN  24           HB3      GLN  24   0.930 -25.938  -1.842
  268    HG2  GLN  24           HG2      GLN  24   3.907 -26.382  -1.875
  269    HG3  GLN  24           HG3      GLN  24   2.967 -27.434  -2.914
  270   HE21  GLN  24          HE21      GLN  24   4.618 -24.538  -3.000
  271   HE22  GLN  24          HE22      GLN  24   3.719 -23.788  -4.313
  272    H    ILE  25           H        ILE  25   4.381 -25.080   0.900
  273    HA   ILE  25           HA       ILE  25   4.071 -22.237   0.491
  274    HB   ILE  25           HB       ILE  25   6.676 -22.348   1.096
  275   HG12  ILE  25          HG12      ILE  25   7.150 -24.068   2.771
  276   HG13  ILE  25          HG13      ILE  25   5.650 -24.914   2.415
  277   HG21  ILE  25          HG21      ILE  25   4.891 -21.242   2.365
  278   HG22  ILE  25          HG22      ILE  25   4.386 -22.803   3.051
  279   HG23  ILE  25          HG23      ILE  25   5.978 -22.118   3.447
  280   HD11  ILE  25          HD11      ILE  25   7.691 -25.955   1.403
  281   HD12  ILE  25          HD12      ILE  25   6.492 -25.515   0.181
  282   HD13  ILE  25          HD13      ILE  25   7.932 -24.494   0.424
  283    HA   PRO  26           HA       PRO  26   5.744 -21.907  -3.603
  284    HB2  PRO  26           HB2      PRO  26   6.508 -19.290  -3.714
  285    HB3  PRO  26           HB3      PRO  26   4.799 -19.801  -3.613
  286    HG2  PRO  26           HG2      PRO  26   6.604 -18.923  -1.337
  287    HG3  PRO  26           HG3      PRO  26   4.954 -18.338  -1.722
  288    HD2  PRO  26           HD2      PRO  26   5.401 -20.282   0.132
  289    HD3  PRO  26           HD3      PRO  26   3.962 -20.326  -0.933
  290    H    ALA  27           H        ALA  27   7.685 -21.730  -4.794
  291    HA   ALA  27           HA       ALA  27  10.192 -20.941  -3.521
  292    HB1  ALA  27           HB1      ALA  27  11.355 -23.063  -4.039
  293    HB2  ALA  27           HB2      ALA  27  10.062 -23.312  -2.851
  294    HB3  ALA  27           HB3      ALA  27   9.815 -23.791  -4.546
  295    H    SER  28           H        SER  28  11.473 -19.943  -4.962
  296    HA   SER  28           HA       SER  28  11.707 -20.681  -7.751
  297    HB2  SER  28           HB2      SER  28   9.603 -19.347  -7.855
  298    HB3  SER  28           HB3      SER  28  10.451 -17.987  -7.096
  299    HG   SER  28           HG       SER  28  10.575 -17.594  -9.209
  300    H    GLU  29           H        GLU  29  13.454 -19.610  -8.773
  301    HA   GLU  29           HA       GLU  29  15.482 -18.374  -7.027
  302    HB2  GLU  29           HB2      GLU  29  16.122 -20.095  -8.634
  303    HB3  GLU  29           HB3      GLU  29  15.410 -19.187  -9.952
  304    HG2  GLU  29           HG2      GLU  29  17.798 -19.072 -10.061
  305    HG3  GLU  29           HG3      GLU  29  17.139 -17.473  -9.805
  306    H    GLN  30           H        GLN  30  12.852 -17.211  -8.853
  307    HA   GLN  30           HA       GLN  30  13.863 -14.431  -8.890
  308    HB2  GLN  30           HB2      GLN  30  13.354 -14.168 -11.271
  309    HB3  GLN  30           HB3      GLN  30  14.663 -15.304 -11.017
  310    HG2  GLN  30           HG2      GLN  30  11.806 -16.321 -11.377
  311    HG3  GLN  30           HG3      GLN  30  12.749 -15.803 -12.759
  312   HE21  GLN  30          HE21      GLN  30  12.067 -18.539 -10.826
  313   HE22  GLN  30          HE22      GLN  30  13.395 -19.508 -11.456
  314    H    GLU  31           H        GLU  31  12.250 -12.830  -9.446
  315    HA   GLU  31           HA       GLU  31   9.407 -13.654  -9.429
  316    HB2  GLU  31           HB2      GLU  31  10.584 -11.649  -7.456
  317    HB3  GLU  31           HB3      GLU  31   8.881 -11.818  -7.835
  318    HG2  GLU  31           HG2      GLU  31   8.974 -13.041  -5.939
  319    HG3  GLU  31           HG3      GLU  31   9.118 -14.305  -7.145
  320    H    THR  32           H        THR  32   8.091 -12.408 -10.666
  321    HA   THR  32           HA       THR  32   9.332 -10.843 -12.635
  322    HB   THR  32           HB       THR  32   6.366 -10.782 -12.420
  323    HG1  THR  32           HG1      THR  32   6.276 -12.868 -13.221
  324   HG21  THR  32          HG21      THR  32   8.301 -11.314 -14.719
  325   HG22  THR  32          HG22      THR  32   7.460  -9.779 -14.397
  326   HG23  THR  32          HG23      THR  32   6.531 -11.213 -14.845
  327    H    LEU  33           H        LEU  33   9.504  -8.761 -13.190
  328    HA   LEU  33           HA       LEU  33   8.761  -6.670 -11.273
  329    HB2  LEU  33           HB2      LEU  33   9.971  -6.509 -14.057
  330    HB3  LEU  33           HB3      LEU  33   9.765  -5.144 -12.965
  331    HG   LEU  33           HG       LEU  33  11.533  -7.565 -12.377
  332   HD11  LEU  33          HD11      LEU  33  12.380  -6.261 -14.275
  333   HD12  LEU  33          HD12      LEU  33  13.404  -6.025 -12.850
  334   HD13  LEU  33          HD13      LEU  33  12.248  -4.762 -13.333
  335   HD21  LEU  33          HD21      LEU  33  12.487  -6.139 -10.608
  336   HD22  LEU  33          HD22      LEU  33  10.770  -6.418 -10.317
  337   HD23  LEU  33          HD23      LEU  33  11.312  -4.859 -10.981
  338    H    VAL  34           H        VAL  34   7.200  -5.160 -11.478
  339    HA   VAL  34           HA       VAL  34   5.007  -5.764 -13.384
  340    HB   VAL  34           HB       VAL  34   3.472  -5.066 -11.841
  341   HG11  VAL  34          HG11      VAL  34   3.926  -6.266  -9.825
  342   HG12  VAL  34          HG12      VAL  34   4.663  -7.163 -11.169
  343   HG13  VAL  34          HG13      VAL  34   5.674  -6.185 -10.076
  344   HG21  VAL  34          HG21      VAL  34   4.286  -2.908 -11.110
  345   HG22  VAL  34          HG22      VAL  34   4.030  -3.904  -9.680
  346   HG23  VAL  34          HG23      VAL  34   5.673  -3.657 -10.275
  347    H    ARG  35           H        ARG  35   7.148  -3.213 -12.700
  348    HA   ARG  35           HA       ARG  35   7.288  -1.000 -13.144
  349    HB2  ARG  35           HB2      ARG  35   7.764  -2.083 -15.329
  350    HB3  ARG  35           HB3      ARG  35   6.089  -1.822 -15.814
  351    HG2  ARG  35           HG2      ARG  35   6.417   0.644 -15.617
  352    HG3  ARG  35           HG3      ARG  35   8.081   0.374 -15.069
  353    HD2  ARG  35           HD2      ARG  35   8.615  -0.717 -17.229
  354    HD3  ARG  35           HD3      ARG  35   6.937  -0.484 -17.753
  355    HE   ARG  35           HE       ARG  35   8.454   1.936 -16.956
  356   HH11  ARG  35          HH12      ARG  35   7.348   0.033 -19.686
  357   HH12  ARG  35          HH11      ARG  35   7.525   1.365 -20.797
  358   HH21  ARG  35          HH21      ARG  35   8.652   3.584 -18.425
  359   HH22  ARG  35          HH22      ARG  35   8.255   3.313 -20.097
  360    HA   PRO  36           HA       PRO  36   2.892  -0.070 -12.070
  361    HB2  PRO  36           HB2      PRO  36   3.258   1.170  -9.692
  362    HB3  PRO  36           HB3      PRO  36   3.339  -0.607  -9.859
  363    HG2  PRO  36           HG2      PRO  36   5.637   1.352  -9.736
  364    HG3  PRO  36           HG3      PRO  36   5.439  -0.218  -8.881
  365    HD2  PRO  36           HD2      PRO  36   6.873   0.098 -11.226
  366    HD3  PRO  36           HD3      PRO  36   6.072  -1.429 -10.766
  367    H    LYS  37           H        LYS  37   1.769   2.014 -11.613
  368    HA   LYS  37           HA       LYS  37   2.570   4.109 -13.347
  369    HB2  LYS  37           HB2      LYS  37   0.706   5.373 -12.466
  370    HB3  LYS  37           HB3      LYS  37   0.246   3.693 -12.701
  371    HG2  LYS  37           HG2      LYS  37   0.323   3.291 -10.273
  372    HG3  LYS  37           HG3      LYS  37   1.000   4.898 -10.005
  373    HD2  LYS  37           HD2      LYS  37  -1.303   5.062  -9.466
  374    HD3  LYS  37           HD3      LYS  37  -1.071   5.918 -10.990
  375    HE2  LYS  37           HE2      LYS  37  -1.866   3.781 -12.167
  376    HE3  LYS  37           HE3      LYS  37  -2.257   3.145 -10.558
  377    HZ1  LYS  37           HZ1      LYS  37  -3.795   5.011 -10.263
  378    HZ2  LYS  37           HZ2      LYS  37  -4.192   4.172 -11.605
  379    HZ3  LYS  37           HZ3      LYS  37  -3.428   5.605 -11.743
  380    HA   PRO  38           HA       PRO  38   5.588   6.435 -11.188
  381    HB2  PRO  38           HB2      PRO  38   5.104   9.052 -11.937
  382    HB3  PRO  38           HB3      PRO  38   5.830   7.807 -12.995
  383    HG2  PRO  38           HG2      PRO  38   2.918   8.653 -12.845
  384    HG3  PRO  38           HG3      PRO  38   3.946   8.466 -14.306
  385    HD2  PRO  38           HD2      PRO  38   2.273   6.502 -13.552
  386    HD3  PRO  38           HD3      PRO  38   3.914   6.094 -14.130
  387    H    LEU  39           H        LEU  39   2.219   7.418 -10.666
  388    HA   LEU  39           HA       LEU  39   2.565   8.981  -8.323
  389    HB2  LEU  39           HB2      LEU  39   0.486   8.736  -9.739
  390    HB3  LEU  39           HB3      LEU  39   0.279   7.118  -9.076
  391    HG   LEU  39           HG       LEU  39   0.078   8.157  -6.769
  392   HD11  LEU  39          HD11      LEU  39  -0.037  10.732  -8.413
  393   HD12  LEU  39          HD12      LEU  39   1.181  10.320  -7.186
  394   HD13  LEU  39          HD13      LEU  39  -0.500  10.588  -6.705
  395   HD21  LEU  39          HD21      LEU  39  -1.921   9.116  -8.855
  396   HD22  LEU  39          HD22      LEU  39  -2.216   8.931  -7.110
  397   HD23  LEU  39          HD23      LEU  39  -1.902   7.506  -8.108
  398    H    LEU  40           H        LEU  40   2.518   5.430  -8.743
  399    HA   LEU  40           HA       LEU  40   2.573   4.932  -5.864
  400    HB2  LEU  40           HB2      LEU  40   1.543   3.335  -7.505
  401    HB3  LEU  40           HB3      LEU  40   3.138   3.042  -8.181
  402    HG   LEU  40           HG       LEU  40   3.930   2.153  -5.986
  403   HD11  LEU  40          HD11      LEU  40   2.435   3.359  -4.440
  404   HD12  LEU  40          HD12      LEU  40   2.282   1.620  -4.220
  405   HD13  LEU  40          HD13      LEU  40   1.034   2.508  -5.128
  406   HD21  LEU  40          HD21      LEU  40   2.412   0.111  -5.963
  407   HD22  LEU  40          HD22      LEU  40   3.160   0.511  -7.507
  408   HD23  LEU  40          HD23      LEU  40   1.451   0.912  -7.208
  409    H    LEU  41           H        LEU  41   4.924   4.936  -8.553
  410    HA   LEU  41           HA       LEU  41   7.222   4.148  -7.119
  411    HB2  LEU  41           HB2      LEU  41   7.185   4.371  -9.525
  412    HB3  LEU  41           HB3      LEU  41   6.857   6.098  -9.409
  413    HG   LEU  41           HG       LEU  41   9.052   6.543  -8.489
  414   HD11  LEU  41          HD11      LEU  41  10.810   4.749  -8.494
  415   HD12  LEU  41          HD12      LEU  41   9.535   3.554  -8.819
  416   HD13  LEU  41          HD13      LEU  41   9.566   4.461  -7.280
  417   HD21  LEU  41          HD21      LEU  41   9.168   4.815 -10.993
  418   HD22  LEU  41          HD22      LEU  41  10.376   6.023 -10.498
  419   HD23  LEU  41          HD23      LEU  41   8.736   6.539 -10.929
  420    H    LYS  42           H        LYS  42   5.763   7.418  -7.306
  421    HA   LYS  42           HA       LYS  42   7.648   8.761  -5.619
  422    HB2  LYS  42           HB2      LYS  42   5.966   9.872  -7.035
  423    HB3  LYS  42           HB3      LYS  42   4.661   9.239  -6.025
  424    HG2  LYS  42           HG2      LYS  42   5.425  10.567  -4.108
  425    HG3  LYS  42           HG3      LYS  42   6.877  11.058  -4.995
  426    HD2  LYS  42           HD2      LYS  42   5.327  12.887  -5.014
  427    HD3  LYS  42           HD3      LYS  42   5.447  12.241  -6.658
  428    HE2  LYS  42           HE2      LYS  42   3.320  11.001  -6.326
  429    HE3  LYS  42           HE3      LYS  42   3.223  11.597  -4.663
  430    HZ1  LYS  42           HZ1      LYS  42   3.073  13.864  -5.556
  431    HZ2  LYS  42           HZ2      LYS  42   1.868  12.952  -6.168
  432    HZ3  LYS  42           HZ3      LYS  42   3.163  13.317  -7.092
  433    H    LEU  43           H        LEU  43   4.762   6.851  -4.709
  434    HA   LEU  43           HA       LEU  43   4.940   7.371  -1.876
  435    HB2  LEU  43           HB2      LEU  43   2.916   6.604  -3.028
  436    HB3  LEU  43           HB3      LEU  43   3.650   5.055  -3.386
  437    HG   LEU  43           HG       LEU  43   3.453   5.980  -0.517
  438   HD11  LEU  43          HD11      LEU  43   1.249   5.003  -0.301
  439   HD12  LEU  43          HD12      LEU  43   1.248   4.516  -2.001
  440   HD13  LEU  43          HD13      LEU  43   1.182   6.237  -1.567
  441   HD21  LEU  43          HD21      LEU  43   3.135   3.528  -0.115
  442   HD22  LEU  43          HD22      LEU  43   4.679   3.857  -0.876
  443   HD23  LEU  43          HD23      LEU  43   3.337   3.227  -1.852
  444    H    LEU  44           H        LEU  44   6.283   4.737  -3.935
  445    HA   LEU  44           HA       LEU  44   7.520   3.294  -1.771
  446    HB2  LEU  44           HB2      LEU  44   8.301   3.422  -4.709
  447    HB3  LEU  44           HB3      LEU  44   8.775   2.167  -3.571
  448    HG   LEU  44           HG       LEU  44   5.875   2.678  -4.363
  449   HD11  LEU  44          HD11      LEU  44   6.076   0.748  -5.841
  450   HD12  LEU  44          HD12      LEU  44   7.803   0.596  -5.442
  451   HD13  LEU  44          HD13      LEU  44   7.212   2.010  -6.336
  452   HD21  LEU  44          HD21      LEU  44   6.232   1.438  -2.214
  453   HD22  LEU  44          HD22      LEU  44   7.112   0.209  -3.167
  454   HD23  LEU  44          HD23      LEU  44   5.395   0.524  -3.473
  455    H    LYS  45           H        LYS  45   8.751   5.860  -3.956
  456    HA   LYS  45           HA       LYS  45  11.364   6.037  -2.736
  457    HB2  LYS  45           HB2      LYS  45   9.788   7.935  -4.488
  458    HB3  LYS  45           HB3      LYS  45  11.466   8.214  -3.993
  459    HG2  LYS  45           HG2      LYS  45  12.232   6.177  -5.082
  460    HG3  LYS  45           HG3      LYS  45  10.586   5.660  -5.413
  461    HD2  LYS  45           HD2      LYS  45  11.264   6.519  -7.441
  462    HD3  LYS  45           HD3      LYS  45  10.320   7.856  -6.757
  463    HE2  LYS  45           HE2      LYS  45  12.574   8.748  -5.922
  464    HE3  LYS  45           HE3      LYS  45  13.312   7.422  -6.869
  465    HZ1  LYS  45           HZ1      LYS  45  11.653   9.613  -8.012
  466    HZ2  LYS  45           HZ2      LYS  45  12.342   8.403  -8.871
  467    HZ3  LYS  45           HZ3      LYS  45  13.275   9.514  -8.128
  468    H    SER  46           H        SER  46   8.310   7.433  -1.732
  469    HA   SER  46           HA       SER  46   9.384   9.393   0.084
  470    HB2  SER  46           HB2      SER  46   6.794   7.808   0.256
  471    HB3  SER  46           HB3      SER  46   7.224   9.190   1.270
  472    HG   SER  46           HG       SER  46   7.029   9.208  -1.576
  473    H    VAL  47           H        VAL  47   9.292   5.911   0.260
  474    HA   VAL  47           HA       VAL  47  10.584   6.033   2.947
  475    HB   VAL  47           HB       VAL  47  10.019   3.784   3.387
  476   HG11  VAL  47          HG11      VAL  47   7.506   5.170   2.390
  477   HG12  VAL  47          HG12      VAL  47   7.668   3.973   3.696
  478   HG13  VAL  47          HG13      VAL  47   8.363   5.591   3.888
  479   HG21  VAL  47          HG21      VAL  47   8.626   2.385   2.000
  480   HG22  VAL  47          HG22      VAL  47   8.470   3.650   0.772
  481   HG23  VAL  47          HG23      VAL  47  10.040   2.867   1.043
  482    H    GLY  48           H        GLY  48  11.676   6.410   0.095
  483    HA2  GLY  48           HA2      GLY  48  13.844   6.394  -0.605
  484    HA3  GLY  48           HA3      GLY  48  14.293   5.490   0.842
  485    H    ALA  49           H        ALA  49  11.981   4.371  -1.717
  486    HA   ALA  49           HA       ALA  49  13.348   1.848  -1.891
  487    HB1  ALA  49           HB1      ALA  49  10.907   2.204  -2.094
  488    HB2  ALA  49           HB2      ALA  49  11.171   3.020  -3.654
  489    HB3  ALA  49           HB3      ALA  49  11.592   1.294  -3.430
  490    H    GLN  50           H        GLN  50  14.772   1.077  -3.381
  491    HA   GLN  50           HA       GLN  50  16.503   3.102  -4.490
  492    HB2  GLN  50           HB2      GLN  50  16.778   0.082  -4.282
  493    HB3  GLN  50           HB3      GLN  50  18.066   1.186  -4.770
  494    HG2  GLN  50           HG2      GLN  50  17.869   2.373  -2.575
  495    HG3  GLN  50           HG3      GLN  50  16.677   1.177  -2.054
  496   HE21  GLN  50          HE21      GLN  50  20.092   1.449  -3.238
  497   HE22  GLN  50          HE22      GLN  50  20.621  -0.012  -2.415
  498    H    LYS  51           H        LYS  51  14.023   1.651  -6.176
  499    HA   LYS  51           HA       LYS  51  15.518   1.611  -8.789
  500    HB2  LYS  51           HB2      LYS  51  13.386  -0.343  -7.856
  501    HB3  LYS  51           HB3      LYS  51  14.228  -0.378  -9.403
  502    HG2  LYS  51           HG2      LYS  51  16.387  -0.761  -8.206
  503    HG3  LYS  51           HG3      LYS  51  15.498  -0.885  -6.678
  504    HD2  LYS  51           HD2      LYS  51  15.039  -2.654  -9.118
  505    HD3  LYS  51           HD3      LYS  51  16.024  -3.098  -7.716
  506    HE2  LYS  51           HE2      LYS  51  14.086  -2.986  -6.232
  507    HE3  LYS  51           HE3      LYS  51  13.068  -2.366  -7.538
  508    HZ1  LYS  51           HZ1      LYS  51  13.380  -4.453  -8.713
  509    HZ2  LYS  51           HZ2      LYS  51  12.730  -4.728  -7.234
  510    HZ3  LYS  51           HZ3      LYS  51  14.305  -5.058  -7.490
  511    H    ASP  52           H        ASP  52  13.992   1.434 -10.676
  512    HA   ASP  52           HA       ASP  52  11.546   3.081 -10.343
  513    HB2  ASP  52           HB2      ASP  52  11.731   3.596 -12.777
  514    HB3  ASP  52           HB3      ASP  52  12.884   4.339 -11.682
  515    H    THR  53           H        THR  53  12.332  -0.058 -10.577
  516    HA   THR  53           HA       THR  53   9.625  -0.860 -11.548
  517    HB   THR  53           HB       THR  53  10.887  -2.936 -12.502
  518    HG1  THR  53           HG1      THR  53  12.940  -2.397 -13.380
  519   HG21  THR  53          HG21      THR  53  11.104  -0.317 -14.023
  520   HG22  THR  53          HG22      THR  53   9.663  -1.354 -13.914
  521   HG23  THR  53          HG23      THR  53  11.120  -1.960 -14.712
  522    H    TYR  54           H        TYR  54   8.861  -2.643 -10.430
  523    HA   TYR  54           HA       TYR  54  10.480  -3.861  -8.271
  524    HB2  TYR  54           HB2      TYR  54   7.890  -2.323  -7.874
  525    HB3  TYR  54           HB3      TYR  54   8.650  -3.332  -6.654
  526    HD1  TYR  54           HD2      TYR  54  10.858  -2.714  -5.658
  527    HD2  TYR  54           HD1      TYR  54   8.713  -0.108  -8.348
  528    HE1  TYR  54           HE2      TYR  54  12.270  -0.784  -4.926
  529    HE2  TYR  54           HE1      TYR  54  10.148   1.796  -7.635
  530    HH   TYR  54           HH       TYR  54  12.027   2.387  -6.523
  531    H    THR  55           H        THR  55   9.549  -5.699  -7.256
  532    HA   THR  55           HA       THR  55   7.551  -7.167  -8.861
  533    HB   THR  55           HB       THR  55   8.058  -9.117  -7.832
  534    HG1  THR  55           HG1      THR  55   9.162  -9.210  -5.832
  535   HG21  THR  55          HG21      THR  55  10.063  -8.354  -9.072
  536   HG22  THR  55          HG22      THR  55  10.479  -9.384  -7.699
  537   HG23  THR  55          HG23      THR  55  10.713  -7.637  -7.580
  538    H    MET  56           H        MET  56   5.623  -8.237  -7.839
  539    HA   MET  56           HA       MET  56   4.028  -6.412  -6.369
  540    HB2  MET  56           HB2      MET  56   3.749  -9.446  -6.555
  541    HB3  MET  56           HB3      MET  56   2.498  -8.304  -6.027
  542    HG2  MET  56           HG2      MET  56   2.758  -7.129  -8.240
  543    HG3  MET  56           HG3      MET  56   3.776  -8.448  -8.784
  544    HE1  MET  56           HE1      MET  56   0.286  -7.417  -7.528
  545    HE2  MET  56           HE2      MET  56   0.743  -6.900  -9.163
  546    HE3  MET  56           HE3      MET  56  -0.628  -8.020  -8.938
  547    H    LYS  57           H        LYS  57   6.198  -8.962  -5.161
  548    HA   LYS  57           HA       LYS  57   5.447  -8.813  -2.376
  549    HB2  LYS  57           HB2      LYS  57   6.781 -10.657  -3.603
  550    HB3  LYS  57           HB3      LYS  57   8.151  -9.557  -3.566
  551    HG2  LYS  57           HG2      LYS  57   8.635 -10.649  -1.649
  552    HG3  LYS  57           HG3      LYS  57   7.517  -9.488  -0.917
  553    HD2  LYS  57           HD2      LYS  57   5.673 -11.156  -1.160
  554    HD3  LYS  57           HD3      LYS  57   6.819 -12.299  -1.892
  555    HE2  LYS  57           HE2      LYS  57   8.217 -12.125   0.225
  556    HE3  LYS  57           HE3      LYS  57   6.911 -11.174   0.937
  557    HZ1  LYS  57           HZ1      LYS  57   5.431 -13.135   0.461
  558    HZ2  LYS  57           HZ2      LYS  57   6.595 -13.433   1.578
  559    HZ3  LYS  57           HZ3      LYS  57   6.760 -13.999   0.045
  560    H    GLU  58           H        GLU  58   7.994  -7.197  -4.309
  561    HA   GLU  58           HA       GLU  58   9.120  -5.649  -2.164
  562    HB2  GLU  58           HB2      GLU  58   9.071  -5.253  -5.166
  563    HB3  GLU  58           HB3      GLU  58   9.984  -4.221  -4.059
  564    HG2  GLU  58           HG2      GLU  58  11.336  -6.080  -3.299
  565    HG3  GLU  58           HG3      GLU  58  10.397  -7.229  -4.255
  566    H    VAL  59           H        VAL  59   6.550  -4.845  -4.545
  567    HA   VAL  59           HA       VAL  59   6.102  -2.159  -3.622
  568    HB   VAL  59           HB       VAL  59   4.231  -4.121  -5.007
  569   HG11  VAL  59          HG11      VAL  59   2.844  -2.163  -5.571
  570   HG12  VAL  59          HG12      VAL  59   2.882  -2.393  -3.824
  571   HG13  VAL  59          HG13      VAL  59   3.877  -1.124  -4.558
  572   HG21  VAL  59          HG21      VAL  59   5.772  -1.697  -6.054
  573   HG22  VAL  59          HG22      VAL  59   6.200  -3.384  -6.357
  574   HG23  VAL  59          HG23      VAL  59   4.690  -2.742  -7.002
  575    H    LEU  60           H        LEU  60   4.469  -5.276  -2.655
  576    HA   LEU  60           HA       LEU  60   2.825  -4.102  -0.636
  577    HB2  LEU  60           HB2      LEU  60   4.049  -6.870  -0.955
  578    HB3  LEU  60           HB3      LEU  60   3.036  -6.466   0.423
  579    HG   LEU  60           HG       LEU  60   2.085  -6.228  -2.458
  580   HD11  LEU  60          HD11      LEU  60   1.592  -8.437  -0.422
  581   HD12  LEU  60          HD12      LEU  60   2.617  -8.572  -1.873
  582   HD13  LEU  60          HD13      LEU  60   0.873  -8.321  -2.044
  583   HD21  LEU  60          HD21      LEU  60  -0.170  -6.241  -1.390
  584   HD22  LEU  60          HD22      LEU  60   0.775  -4.839  -0.890
  585   HD23  LEU  60          HD23      LEU  60   0.600  -6.218   0.213
  586    H    PHE  61           H        PHE  61   6.151  -5.433  -0.389
  587    HA   PHE  61           HA       PHE  61   6.563  -4.935   2.335
  588    HB2  PHE  61           HB2      PHE  61   8.044  -6.378   1.317
  589    HB3  PHE  61           HB3      PHE  61   8.367  -5.286  -0.004
  590    HD1  PHE  61           HD2      PHE  61   9.106  -5.890   3.592
  591    HD2  PHE  61           HD1      PHE  61  10.164  -3.727   0.010
  592    HE1  PHE  61           HE2      PHE  61  11.250  -5.196   4.639
  593    HE2  PHE  61           HE1      PHE  61  12.314  -3.056   1.054
  594    HZ   PHE  61           HZ       PHE  61  12.862  -3.789   3.368
  595    H    TYR  62           H        TYR  62   7.425  -2.657  -0.283
  596    HA   TYR  62           HA       TYR  62   8.123  -0.603   1.632
  597    HB2  TYR  62           HB2      TYR  62   7.801  -0.640  -1.335
  598    HB3  TYR  62           HB3      TYR  62   8.100   0.862  -0.467
  599    HD1  TYR  62           HD1      TYR  62  10.150   0.513   1.418
  600    HD2  TYR  62           HD2      TYR  62   9.687  -1.501  -2.374
  601    HE1  TYR  62           HE1      TYR  62  12.619   0.246   1.251
  602    HE2  TYR  62           HE2      TYR  62  12.150  -1.800  -2.515
  603    HH   TYR  62           HH       TYR  62  14.172  -1.490  -1.466
  604    H    LEU  63           H        LEU  63   5.073  -1.222  -0.093
  605    HA   LEU  63           HA       LEU  63   3.810   1.222   0.645
  606    HB2  LEU  63           HB2      LEU  63   3.020  -0.180  -1.154
  607    HB3  LEU  63           HB3      LEU  63   2.783  -1.546  -0.061
  608    HG   LEU  63           HG       LEU  63   0.916  -0.470   1.025
  609   HD11  LEU  63          HD11      LEU  63   0.002   1.646   0.271
  610   HD12  LEU  63          HD12      LEU  63   1.348   1.871  -0.875
  611   HD13  LEU  63          HD13      LEU  63   1.628   1.904   0.883
  612   HD21  LEU  63          HD21      LEU  63  -0.644  -0.434  -0.871
  613   HD22  LEU  63          HD22      LEU  63   0.543  -1.728  -1.124
  614   HD23  LEU  63          HD23      LEU  63   0.695  -0.206  -2.012
  615    H    GLY  64           H        GLY  64   3.960  -1.965   2.324
  616    HA2  GLY  64           HA2      GLY  64   2.400  -1.230   4.609
  617    HA3  GLY  64           HA3      GLY  64   3.656  -2.469   4.561
  618    H    GLN  65           H        GLN  65   5.941  -0.883   3.978
  619    HA   GLN  65           HA       GLN  65   6.581   0.379   6.478
  620    HB2  GLN  65           HB2      GLN  65   7.896   0.425   3.748
  621    HB3  GLN  65           HB3      GLN  65   8.550   1.317   5.123
  622    HG2  GLN  65           HG2      GLN  65   8.905  -0.670   6.402
  623    HG3  GLN  65           HG3      GLN  65   7.970  -1.661   5.283
  624   HE21  GLN  65          HE21      GLN  65   8.844  -2.113   3.177
  625   HE22  GLN  65          HE22      GLN  65  10.580  -2.030   2.906
  626    H    TYR  66           H        TYR  66   5.318   1.778   3.430
  627    HA   TYR  66           HA       TYR  66   5.571   4.505   4.304
  628    HB2  TYR  66           HB2      TYR  66   5.405   3.990   1.968
  629    HB3  TYR  66           HB3      TYR  66   3.842   3.231   2.195
  630    HD1  TYR  66           HD2      TYR  66   5.638   6.429   2.011
  631    HD2  TYR  66           HD1      TYR  66   1.780   4.563   2.515
  632    HE1  TYR  66           HE2      TYR  66   4.535   8.599   1.531
  633    HE2  TYR  66           HE1      TYR  66   0.676   6.750   2.032
  634    HH   TYR  66           HH       TYR  66   2.542   9.671   1.163
  635    H    ILE  67           H        ILE  67   2.814   2.251   4.399
  636    HA   ILE  67           HA       ILE  67   0.995   3.971   5.752
  637    HB   ILE  67           HB       ILE  67   1.229   0.943   5.701
  638   HG12  ILE  67          HG12      ILE  67  -0.809   2.651   4.236
  639   HG13  ILE  67          HG13      ILE  67   0.778   2.356   3.528
  640   HG21  ILE  67          HG21      ILE  67  -0.111   1.431   7.634
  641   HG22  ILE  67          HG22      ILE  67  -0.973   2.738   6.804
  642   HG23  ILE  67          HG23      ILE  67  -1.262   1.056   6.353
  643   HD11  ILE  67          HD11      ILE  67   0.415  -0.083   3.602
  644   HD12  ILE  67          HD12      ILE  67  -1.221   0.184   4.254
  645   HD13  ILE  67          HD13      ILE  67  -0.802   0.760   2.632
  646    H    MET  68           H        MET  68   3.467   1.742   7.093
  647    HA   MET  68           HA       MET  68   2.925   2.277   9.848
  648    HB2  MET  68           HB2      MET  68   5.402   1.315   8.408
  649    HB3  MET  68           HB3      MET  68   5.376   1.614  10.150
  650    HG2  MET  68           HG2      MET  68   3.366   0.119  10.340
  651    HG3  MET  68           HG3      MET  68   3.606  -0.345   8.658
  652    HE1  MET  68           HE1      MET  68   5.607  -1.628   7.756
  653    HE2  MET  68           HE2      MET  68   6.885  -0.618   8.473
  654    HE3  MET  68           HE3      MET  68   6.897  -2.380   8.723
  655    H    THR  69           H        THR  69   5.488   3.802   7.778
  656    HA   THR  69           HA       THR  69   6.239   5.577   9.870
  657    HB   THR  69           HB       THR  69   7.626   4.869   7.888
  658    HG1  THR  69           HG1      THR  69   8.825   6.739   8.094
  659   HG21  THR  69          HG21      THR  69   6.115   5.685   6.087
  660   HG22  THR  69          HG22      THR  69   7.732   6.396   5.997
  661   HG23  THR  69          HG23      THR  69   6.380   7.359   6.624
  662    H    LYS  70           H        LYS  70   3.819   6.022   7.382
  663    HA   LYS  70           HA       LYS  70   3.158   8.780   8.126
  664    HB2  LYS  70           HB2      LYS  70   1.820   6.641   6.440
  665    HB3  LYS  70           HB3      LYS  70   1.181   8.263   6.606
  666    HG2  LYS  70           HG2      LYS  70   4.041   7.862   5.644
  667    HG3  LYS  70           HG3      LYS  70   2.700   7.573   4.555
  668    HD2  LYS  70           HD2      LYS  70   3.165  10.213   6.004
  669    HD3  LYS  70           HD3      LYS  70   3.665   9.844   4.340
  670    HE2  LYS  70           HE2      LYS  70   1.255   9.268   3.814
  671    HE3  LYS  70           HE3      LYS  70   0.810   9.867   5.414
  672    HZ1  LYS  70           HZ1      LYS  70   2.018  11.478   3.240
  673    HZ2  LYS  70           HZ2      LYS  70   1.700  12.049   4.752
  674    HZ3  LYS  70           HZ3      LYS  70   0.474  11.537   3.787
  675    H    ARG  71           H        ARG  71   2.316   5.712   9.442
  676    HA   ARG  71           HA       ARG  71   0.702   4.870  10.773
  677    HB2  ARG  71           HB2      ARG  71   0.720   7.623  12.065
  678    HB3  ARG  71           HB3      ARG  71   0.003   6.162  12.727
  679    HG2  ARG  71           HG2      ARG  71   1.965   6.113  13.857
  680    HG3  ARG  71           HG3      ARG  71   2.382   5.108  12.480
  681    HD2  ARG  71           HD2      ARG  71   4.215   6.608  12.900
  682    HD3  ARG  71           HD3      ARG  71   3.437   7.134  11.410
  683    HE   ARG  71           HE       ARG  71   2.636   8.413  13.977
  684   HH11  ARG  71          HH11      ARG  71   4.455   8.876  10.983
  685   HH12  ARG  71          HH12      ARG  71   4.440  10.608  11.182
  686   HH21  ARG  71          HH21      ARG  71   2.677  10.611  14.119
  687   HH22  ARG  71          HH22      ARG  71   3.481  11.551  12.900
  688    H    LEU  72           H        LEU  72  -0.371   5.189   8.436
  689    HA   LEU  72           HA       LEU  72  -2.828   6.784   8.489
  690    HB2  LEU  72           HB2      LEU  72  -2.050   4.588   6.543
  691    HB3  LEU  72           HB3      LEU  72  -3.348   5.750   6.336
  692    HG   LEU  72           HG       LEU  72  -0.388   6.414   6.448
  693   HD11  LEU  72          HD11      LEU  72  -2.338   6.408   4.117
  694   HD12  LEU  72          HD12      LEU  72  -1.023   5.238   4.392
  695   HD13  LEU  72          HD13      LEU  72  -0.641   6.935   4.064
  696   HD21  LEU  72          HD21      LEU  72  -1.152   8.670   5.638
  697   HD22  LEU  72          HD22      LEU  72  -1.670   8.304   7.289
  698   HD23  LEU  72          HD23      LEU  72  -2.827   8.167   5.943
  699    H    TYR  73           H        TYR  73  -2.113   3.806   9.933
  700    HA   TYR  73           HA       TYR  73  -4.719   2.623   9.705
  701    HB2  TYR  73           HB2      TYR  73  -3.975   1.185  11.617
  702    HB3  TYR  73           HB3      TYR  73  -3.132   1.068  10.092
  703    HD1  TYR  73           HD1      TYR  73  -2.903   2.701  13.459
  704    HD2  TYR  73           HD2      TYR  73  -0.772   1.264   9.993
  705    HE1  TYR  73           HE1      TYR  73  -0.736   3.069  14.636
  706    HE2  TYR  73           HE2      TYR  73   1.382   1.593  11.188
  707    HH   TYR  73           HH       TYR  73   2.412   2.263  13.130
  708    H    ASP  74           H        ASP  74  -6.350   2.273  11.243
  709    HA   ASP  74           HA       ASP  74  -7.043   4.563  12.854
  710    HB2  ASP  74           HB2      ASP  74  -8.832   3.530  11.951
  711    HB3  ASP  74           HB3      ASP  74  -8.304   1.920  12.358
  712    H    GLU  75           H        GLU  75  -6.861   5.001  14.999
  713    HA   GLU  75           HA       GLU  75  -4.867   3.615  16.567
  714    HB2  GLU  75           HB2      GLU  75  -5.443   5.187  18.316
  715    HB3  GLU  75           HB3      GLU  75  -5.230   6.008  16.765
  716    HG2  GLU  75           HG2      GLU  75  -7.722   6.108  16.510
  717    HG3  GLU  75           HG3      GLU  75  -7.894   5.348  18.097
  718    H    LYS  76           H        LYS  76  -8.377   3.283  16.343
  719    HA   LYS  76           HA       LYS  76  -8.578   1.625  18.785
  720    HB2  LYS  76           HB2      LYS  76 -10.682   1.967  16.605
  721    HB3  LYS  76           HB3      LYS  76 -10.890   1.371  18.248
  722    HG2  LYS  76           HG2      LYS  76 -10.069   3.657  19.037
  723    HG3  LYS  76           HG3      LYS  76 -10.179   4.204  17.373
  724    HD2  LYS  76           HD2      LYS  76 -12.188   4.901  18.480
  725    HD3  LYS  76           HD3      LYS  76 -12.583   3.658  17.302
  726    HE2  LYS  76           HE2      LYS  76 -13.891   3.292  19.291
  727    HE3  LYS  76           HE3      LYS  76 -12.741   1.968  19.122
  728    HZ1  LYS  76           HZ1      LYS  76 -12.845   2.807  21.406
  729    HZ2  LYS  76           HZ2      LYS  76 -12.400   4.302  20.936
  730    HZ3  LYS  76           HZ3      LYS  76 -11.348   3.056  20.811
  731    H    GLN  77           H        GLN  77  -8.793   1.076  15.282
  732    HA   GLN  77           HA       GLN  77  -7.930  -1.771  15.711
  733    HB2  GLN  77           HB2      GLN  77 -10.055  -0.652  13.853
  734    HB3  GLN  77           HB3      GLN  77  -9.319  -2.220  13.594
  735    HG2  GLN  77           HG2      GLN  77 -10.831  -1.410  16.108
  736    HG3  GLN  77           HG3      GLN  77 -11.483  -2.357  14.774
  737   HE21  GLN  77          HE21      GLN  77 -11.557  -3.433  17.354
  738   HE22  GLN  77          HE22      GLN  77 -10.410  -4.765  17.424
  739    H    GLN  78           H        GLN  78  -5.791  -1.699  15.213
  740    HA   GLN  78           HA       GLN  78  -4.754  -0.112  13.076
  741    HB2  GLN  78           HB2      GLN  78  -3.514  -2.470  14.549
  742    HB3  GLN  78           HB3      GLN  78  -2.704  -1.478  13.334
  743    HG2  GLN  78           HG2      GLN  78  -3.392   0.558  14.817
  744    HG3  GLN  78           HG3      GLN  78  -3.628  -0.640  16.088
  745   HE21  GLN  78          HE21      GLN  78  -1.835   0.993  16.928
  746   HE22  GLN  78          HE22      GLN  78  -0.183   0.501  16.579
  747    H    HIS  79           H        HIS  79  -6.402  -3.125  12.900
  748    HA   HIS  79           HA       HIS  79  -5.275  -3.954  10.354
  749    HB2  HIS  79           HB2      HIS  79  -6.749  -5.713  10.413
  750    HB3  HIS  79           HB3      HIS  79  -6.379  -5.433  12.111
  751    HD1  HIS  79           HD1      HIS  79  -8.541  -4.684  13.660
  752    HD2  HIS  79           HD2      HIS  79  -9.217  -5.336   9.551
  753    HE1  HIS  79           HE1      HIS  79 -11.051  -4.812  13.360
  754    H    ILE  80           H        ILE  80  -7.167  -1.271  11.046
  755    HA   ILE  80           HA       ILE  80  -8.353  -1.227   8.300
  756    HB   ILE  80           HB       ILE  80  -9.330   0.300  10.733
  757   HG12  ILE  80          HG12      ILE  80 -10.465  -2.249   9.496
  758   HG13  ILE  80          HG13      ILE  80  -9.724  -2.102  11.090
  759   HG21  ILE  80          HG21      ILE  80 -10.595  -0.123   7.986
  760   HG22  ILE  80          HG22      ILE  80 -11.265   0.843   9.317
  761   HG23  ILE  80          HG23      ILE  80  -9.796   1.370   8.521
  762   HD11  ILE  80          HD11      ILE  80 -12.065  -2.179  11.432
  763   HD12  ILE  80          HD12      ILE  80 -11.547  -0.515  11.764
  764   HD13  ILE  80          HD13      ILE  80 -12.375  -0.914  10.237
  765    H    VAL  81           H        VAL  81  -7.805   0.422   6.979
  766    HA   VAL  81           HA       VAL  81  -5.834   2.458   7.953
  767    HB   VAL  81           HB       VAL  81  -6.058   1.142   5.232
  768   HG11  VAL  81          HG11      VAL  81  -3.938   2.351   4.718
  769   HG12  VAL  81          HG12      VAL  81  -5.290   3.456   4.946
  770   HG13  VAL  81          HG13      VAL  81  -4.092   3.240   6.247
  771   HG21  VAL  81          HG21      VAL  81  -5.029  -0.333   6.929
  772   HG22  VAL  81          HG22      VAL  81  -3.832   0.211   5.756
  773   HG23  VAL  81          HG23      VAL  81  -3.888   0.951   7.372
  774    H    TYR  82           H        TYR  82  -6.217   4.523   7.625
  775    HA   TYR  82           HA       TYR  82  -8.612   5.371   6.108
  776    HB2  TYR  82           HB2      TYR  82  -7.559   6.390   8.713
  777    HB3  TYR  82           HB3      TYR  82  -8.592   7.366   7.680
  778    HD1  TYR  82           HD1      TYR  82  -8.458   4.233   9.658
  779    HD2  TYR  82           HD2      TYR  82 -10.941   6.934   7.389
  780    HE1  TYR  82           HE1      TYR  82 -10.489   3.115  10.555
  781    HE2  TYR  82           HE2      TYR  82 -12.979   5.799   8.274
  782    HH   TYR  82           HH       TYR  82 -12.789   3.069  10.588
  783    H    CYS  83           H        CYS  83  -7.216   5.226   4.261
  784    HA   CYS  83           HA       CYS  83  -5.021   7.028   3.912
  785    HB2  CYS  83           HB2      CYS  83  -5.126   6.079   1.560
  786    HB3  CYS  83           HB3      CYS  83  -4.946   4.928   2.880
  787    HG   CYS  83           HG       CYS  83  -7.667   5.686   1.113
  788    H    SER  84           H        SER  84  -8.191   7.933   3.889
  789    HA   SER  84           HA       SER  84  -8.747   9.387   1.653
  790    HB2  SER  84           HB2      SER  84 -10.227   9.037   3.658
  791    HB3  SER  84           HB3      SER  84  -9.339  10.323   4.486
  792    HG   SER  84           HG       SER  84 -11.236  11.102   3.455
  793    H    ASN  85           H        ASN  85  -8.538  11.393   0.840
  794    HA   ASN  85           HA       ASN  85  -7.512  13.279   0.166
  795    HB2  ASN  85           HB2      ASN  85  -7.683  13.858   3.140
  796    HB3  ASN  85           HB3      ASN  85  -7.427  15.075   1.896
  797   HD21  ASN  85          HD21      ASN  85  -9.691  14.710   3.831
  798   HD22  ASN  85          HD22      ASN  85 -11.108  14.711   2.786
  799    H    ASP  86           H        ASP  86  -5.598  11.120   0.634
  800    HA   ASP  86           HA       ASP  86  -3.102  12.740   0.660
  801    HB2  ASP  86           HB2      ASP  86  -3.766  11.645   2.970
  802    HB3  ASP  86           HB3      ASP  86  -3.327  10.122   2.197
  803    H    LEU  87           H        LEU  87  -1.266  11.167   0.002
  804    HA   LEU  87           HA       LEU  87  -1.645  10.481  -2.671
  805    HB2  LEU  87           HB2      LEU  87   0.480  11.077  -1.662
  806    HB3  LEU  87           HB3      LEU  87   0.466   9.619  -0.674
  807    HG   LEU  87           HG       LEU  87   0.750   8.204  -2.669
  808   HD11  LEU  87          HD11      LEU  87   1.305   9.248  -4.844
  809   HD12  LEU  87          HD12      LEU  87   0.824  10.839  -4.198
  810   HD13  LEU  87          HD13      LEU  87  -0.373   9.534  -4.383
  811   HD21  LEU  87          HD21      LEU  87   3.042   8.969  -3.261
  812   HD22  LEU  87          HD22      LEU  87   2.740   9.035  -1.515
  813   HD23  LEU  87          HD23      LEU  87   2.710  10.528  -2.477
  814    H    LEU  88           H        LEU  88  -1.712   8.208   0.110
  815    HA   LEU  88           HA       LEU  88  -1.964   5.877  -1.550
  816    HB2  LEU  88           HB2      LEU  88  -1.097   5.807   0.737
  817    HB3  LEU  88           HB3      LEU  88  -2.672   6.299   1.373
  818    HG   LEU  88           HG       LEU  88  -3.689   4.193   0.530
  819   HD11  LEU  88          HD11      LEU  88  -0.867   3.654  -0.487
  820   HD12  LEU  88          HD12      LEU  88  -2.371   3.674  -1.432
  821   HD13  LEU  88          HD13      LEU  88  -2.088   2.386  -0.272
  822   HD21  LEU  88          HD21      LEU  88  -2.556   2.665   2.063
  823   HD22  LEU  88          HD22      LEU  88  -2.705   4.281   2.776
  824   HD23  LEU  88          HD23      LEU  88  -1.141   3.747   2.114
  825    H    GLY  89           H        GLY  89  -4.413   8.012  -0.075
  826    HA2  GLY  89           HA2      GLY  89  -6.734   6.477  -0.815
  827    HA3  GLY  89           HA3      GLY  89  -6.677   8.217  -0.492
  828    H    ASP  90           H        ASP  90  -4.796   8.937  -2.538
  829    HA   ASP  90           HA       ASP  90  -6.426   8.933  -4.931
  830    HB2  ASP  90           HB2      ASP  90  -3.614   9.884  -4.364
  831    HB3  ASP  90           HB3      ASP  90  -4.318   9.921  -5.974
  832    H    LEU  91           H        LEU  91  -3.791   6.870  -3.893
  833    HA   LEU  91           HA       LEU  91  -3.517   5.477  -6.432
  834    HB2  LEU  91           HB2      LEU  91  -2.573   5.032  -3.588
  835    HB3  LEU  91           HB3      LEU  91  -2.325   3.794  -4.805
  836    HG   LEU  91           HG       LEU  91  -1.285   6.639  -5.126
  837   HD11  LEU  91          HD11      LEU  91   0.059   4.195  -4.024
  838   HD12  LEU  91          HD12      LEU  91  -0.307   5.729  -3.211
  839   HD13  LEU  91          HD13      LEU  91   0.885   5.704  -4.517
  840   HD21  LEU  91          HD21      LEU  91   0.148   5.593  -6.836
  841   HD22  LEU  91          HD22      LEU  91  -1.540   5.303  -7.243
  842   HD23  LEU  91          HD23      LEU  91  -0.579   4.005  -6.515
  843    H    PHE  92           H        PHE  92  -4.954   4.401  -3.277
  844    HA   PHE  92           HA       PHE  92  -6.161   2.122  -4.571
  845    HB2  PHE  92           HB2      PHE  92  -6.352   3.162  -1.762
  846    HB3  PHE  92           HB3      PHE  92  -7.370   1.858  -2.330
  847    HD1  PHE  92           HD1      PHE  92  -5.654   0.127  -3.945
  848    HD2  PHE  92           HD2      PHE  92  -4.865   2.161  -0.238
  849    HE1  PHE  92           HE1      PHE  92  -4.071  -1.674  -3.300
  850    HE2  PHE  92           HE2      PHE  92  -3.296   0.349   0.412
  851    HZ   PHE  92           HZ       PHE  92  -2.901  -1.570  -1.117
  852    H    GLY  93           H        GLY  93  -7.347   5.319  -4.266
  853    HA2  GLY  93           HA2      GLY  93  -9.194   6.240  -5.277
  854    HA3  GLY  93           HA3      GLY  93  -9.702   4.646  -5.839
  855    H    VAL  94           H        VAL  94  -9.123   5.150  -2.403
  856    HA   VAL  94           HA       VAL  94 -12.016   5.427  -1.787
  857    HB   VAL  94           HB       VAL  94 -11.771   3.593  -0.054
  858   HG11  VAL  94          HG11      VAL  94 -11.625   2.680  -2.942
  859   HG12  VAL  94          HG12      VAL  94 -12.324   1.795  -1.569
  860   HG13  VAL  94          HG13      VAL  94 -13.070   3.307  -2.109
  861   HG21  VAL  94          HG21      VAL  94  -9.294   3.334  -0.078
  862   HG22  VAL  94          HG22      VAL  94 -10.157   1.818  -0.363
  863   HG23  VAL  94          HG23      VAL  94  -9.411   2.670  -1.724
  864    HA   PRO  95           HA       PRO  95 -10.354   7.814   1.612
  865    HB2  PRO  95           HB2      PRO  95 -12.447   7.828   3.369
  866    HB3  PRO  95           HB3      PRO  95 -12.505   8.680   1.795
  867    HG2  PRO  95           HG2      PRO  95 -13.588   5.910   2.442
  868    HG3  PRO  95           HG3      PRO  95 -14.439   7.269   1.636
  869    HD2  PRO  95           HD2      PRO  95 -13.258   5.283   0.224
  870    HD3  PRO  95           HD3      PRO  95 -13.212   6.971  -0.355
  871    H    SER  96           H        SER  96 -11.559   4.532   2.181
  872    HA   SER  96           HA       SER  96  -9.435   3.953   4.061
  873    HB2  SER  96           HB2      SER  96 -10.908   3.294   5.933
  874    HB3  SER  96           HB3      SER  96 -11.042   5.021   5.583
  875    HG   SER  96           HG       SER  96 -13.092   4.029   5.889
  876    H    PHE  97           H        PHE  97  -9.379   1.682   4.711
  877    HA   PHE  97           HA       PHE  97 -11.258  -0.221   3.533
  878    HB2  PHE  97           HB2      PHE  97  -9.692  -1.408   2.145
  879    HB3  PHE  97           HB3      PHE  97  -9.726   0.252   1.600
  880    HD1  PHE  97           HD2      PHE  97  -7.728   1.742   1.942
  881    HD2  PHE  97           HD1      PHE  97  -7.737  -2.382   3.166
  882    HE1  PHE  97           HE2      PHE  97  -5.254   1.807   2.189
  883    HE2  PHE  97           HE1      PHE  97  -5.271  -2.317   3.431
  884    HZ   PHE  97           HZ       PHE  97  -4.023  -0.247   2.920
  885    H    SER  98           H        SER  98 -10.861  -2.399   4.328
  886    HA   SER  98           HA       SER  98  -9.262  -2.568   6.840
  887    HB2  SER  98           HB2      SER  98 -11.483  -3.332   7.137
  888    HB3  SER  98           HB3      SER  98 -11.424  -4.312   5.663
  889    HG   SER  98           HG       SER  98 -11.095  -5.493   7.657
  890    H    VAL  99           H        VAL  99  -7.382  -3.649   6.937
  891    HA   VAL  99           HA       VAL  99  -6.046  -4.636   4.596
  892    HB   VAL  99           HB       VAL  99  -5.310  -5.099   7.462
  893   HG11  VAL  99          HG11      VAL  99  -2.986  -5.234   6.561
  894   HG12  VAL  99          HG12      VAL  99  -4.010  -6.553   5.992
  895   HG13  VAL  99          HG13      VAL  99  -3.650  -5.187   4.912
  896   HG21  VAL  99          HG21      VAL  99  -3.840  -3.150   7.251
  897   HG22  VAL  99          HG22      VAL  99  -4.407  -2.864   5.592
  898   HG23  VAL  99          HG23      VAL  99  -5.506  -2.657   6.973
  899    H    LYS 100           H        LYS 100  -8.158  -6.194   6.902
  900    HA   LYS 100           HA       LYS 100  -7.434  -8.936   6.228
  901    HB2  LYS 100           HB2      LYS 100  -8.412  -8.276   8.402
  902    HB3  LYS 100           HB3      LYS 100  -9.878  -7.743   7.599
  903    HG2  LYS 100           HG2      LYS 100 -10.125  -9.918   8.735
  904    HG3  LYS 100           HG3      LYS 100 -10.517  -9.980   7.026
  905    HD2  LYS 100           HD2      LYS 100  -9.297 -11.982   7.746
  906    HD3  LYS 100           HD3      LYS 100  -8.394 -11.097   6.525
  907    HE2  LYS 100           HE2      LYS 100  -7.059 -10.029   8.414
  908    HE3  LYS 100           HE3      LYS 100  -7.870 -11.148   9.524
  909    HZ1  LYS 100           HZ1      LYS 100  -5.742 -12.041   8.765
  910    HZ2  LYS 100           HZ2      LYS 100  -6.189 -11.906   7.189
  911    HZ3  LYS 100           HZ3      LYS 100  -6.943 -12.981   8.176
  912    H    GLU 101           H        GLU 101  -9.274  -6.563   4.535
  913    HA   GLU 101           HA       GLU 101 -10.755  -8.515   2.898
  914    HB2  GLU 101           HB2      GLU 101 -10.391  -5.520   2.557
  915    HB3  GLU 101           HB3      GLU 101 -11.399  -6.563   1.546
  916    HG2  GLU 101           HG2      GLU 101 -12.764  -7.212   3.469
  917    HG3  GLU 101           HG3      GLU 101 -11.786  -6.219   4.545
  918    H    HIS 102           H        HIS 102  -8.341  -9.475   2.906
  919    HA   HIS 102           HA       HIS 102  -6.298  -8.487   1.347
  920    HB2  HIS 102           HB2      HIS 102  -7.090 -11.414   1.651
  921    HB3  HIS 102           HB3      HIS 102  -5.502 -10.813   1.202
  922    HD1  HIS 102           HD1      HIS 102  -4.399  -9.125   3.317
  923    HD2  HIS 102           HD2      HIS 102  -7.247 -12.095   4.147
  924    HE1  HIS 102           HE1      HIS 102  -4.051  -9.771   5.748
  925    H    ARG 103           H        ARG 103  -8.939 -10.590   0.167
  926    HA   ARG 103           HA       ARG 103  -8.097 -10.892  -2.524
  927    HB2  ARG 103           HB2      ARG 103  -9.798 -12.243  -1.358
  928    HB3  ARG 103           HB3      ARG 103 -10.919 -10.875  -1.385
  929    HG2  ARG 103           HG2      ARG 103 -10.935 -10.921  -3.863
  930    HG3  ARG 103           HG3      ARG 103  -9.769 -12.248  -3.861
  931    HD2  ARG 103           HD2      ARG 103 -12.597 -12.335  -2.717
  932    HD3  ARG 103           HD3      ARG 103 -12.089 -13.002  -4.258
  933    HE   ARG 103           HE       ARG 103 -10.893 -14.747  -3.188
  934   HH11  ARG 103          HH11      ARG 103 -12.650 -12.854  -0.809
  935   HH12  ARG 103          HH12      ARG 103 -12.580 -14.132   0.371
  936   HH21  ARG 103          HH21      ARG 103 -10.879 -16.321  -1.665
  937   HH22  ARG 103          HH22      ARG 103 -11.575 -16.022  -0.089
  938    H    LYS 104           H        LYS 104  -9.978  -8.264  -1.076
  939    HA   LYS 104           HA       LYS 104 -10.458  -6.838  -3.589
  940    HB2  LYS 104           HB2      LYS 104 -11.894  -6.577  -1.572
  941    HB3  LYS 104           HB3      LYS 104 -10.532  -5.856  -0.705
  942    HG2  LYS 104           HG2      LYS 104 -10.448  -4.050  -2.487
  943    HG3  LYS 104           HG3      LYS 104 -11.938  -4.715  -3.158
  944    HD2  LYS 104           HD2      LYS 104 -11.576  -3.688  -0.303
  945    HD3  LYS 104           HD3      LYS 104 -12.253  -2.742  -1.635
  946    HE2  LYS 104           HE2      LYS 104 -14.136  -4.279  -1.865
  947    HE3  LYS 104           HE3      LYS 104 -13.442  -5.375  -0.661
  948    HZ1  LYS 104           HZ1      LYS 104 -14.290  -2.595  -0.067
  949    HZ2  LYS 104           HZ2      LYS 104 -13.681  -3.677   1.012
  950    HZ3  LYS 104           HZ3      LYS 104 -15.139  -3.940   0.318
  951    H    ILE 105           H        ILE 105  -8.087  -6.484  -0.906
  952    HA   ILE 105           HA       ILE 105  -6.686  -4.275  -2.008
  953    HB   ILE 105           HB       ILE 105  -5.732  -6.483  -0.159
  954   HG12  ILE 105          HG12      ILE 105  -6.458  -3.545   0.310
  955   HG13  ILE 105          HG13      ILE 105  -7.546  -4.900   0.603
  956   HG21  ILE 105          HG21      ILE 105  -3.728  -5.580  -1.286
  957   HG22  ILE 105          HG22      ILE 105  -4.275  -3.918  -0.967
  958   HG23  ILE 105          HG23      ILE 105  -3.788  -4.990   0.361
  959   HD11  ILE 105          HD11      ILE 105  -4.988  -4.283   2.119
  960   HD12  ILE 105          HD12      ILE 105  -6.660  -4.283   2.679
  961   HD13  ILE 105          HD13      ILE 105  -5.891  -5.818   2.271
  962    H    TYR 106           H        TYR 106  -5.998  -7.792  -2.562
  963    HA   TYR 106           HA       TYR 106  -3.762  -7.391  -4.211
  964    HB2  TYR 106           HB2      TYR 106  -5.955  -9.497  -4.508
  965    HB3  TYR 106           HB3      TYR 106  -4.364  -9.618  -5.214
  966    HD1  TYR 106           HD2      TYR 106  -2.568  -8.846  -2.904
  967    HD2  TYR 106           HD1      TYR 106  -6.084 -11.329  -3.119
  968    HE1  TYR 106           HE2      TYR 106  -1.812 -10.110  -0.897
  969    HE2  TYR 106           HE1      TYR 106  -5.341 -12.568  -1.098
  970    HH   TYR 106           HH       TYR 106  -3.740 -12.826   0.457
  971    H    THR 107           H        THR 107  -7.206  -7.294  -5.262
  972    HA   THR 107           HA       THR 107  -6.398  -6.840  -8.015
  973    HB   THR 107           HB       THR 107  -8.510  -8.029  -7.305
  974    HG1  THR 107           HG1      THR 107  -9.407  -7.416  -9.253
  975   HG21  THR 107          HG21      THR 107  -9.603  -5.175  -7.368
  976   HG22  THR 107          HG22      THR 107  -9.570  -6.248  -5.950
  977   HG23  THR 107          HG23      THR 107 -10.555  -6.673  -7.349
  978    H    MET 108           H        MET 108  -7.431  -4.642  -5.417
  979    HA   MET 108           HA       MET 108  -7.368  -2.263  -7.053
  980    HB2  MET 108           HB2      MET 108  -6.796  -2.556  -4.076
  981    HB3  MET 108           HB3      MET 108  -7.097  -1.050  -4.960
  982    HG2  MET 108           HG2      MET 108  -9.356  -1.896  -5.577
  983    HG3  MET 108           HG3      MET 108  -9.111  -3.247  -4.482
  984    HE1  MET 108           HE1      MET 108  -8.588  -2.856  -1.778
  985    HE2  MET 108           HE2      MET 108  -7.414  -1.546  -2.049
  986    HE3  MET 108           HE3      MET 108  -8.800  -1.284  -0.977
  987    H    MET 109           H        MET 109  -4.809  -4.014  -5.274
  988    HA   MET 109           HA       MET 109  -2.784  -2.019  -5.823
  989    HB2  MET 109           HB2      MET 109  -1.538  -3.146  -4.352
  990    HB3  MET 109           HB3      MET 109  -3.044  -3.799  -3.881
  991    HG2  MET 109           HG2      MET 109  -1.743  -5.666  -3.909
  992    HG3  MET 109           HG3      MET 109  -2.425  -5.774  -5.517
  993    HE1  MET 109           HE1      MET 109   0.486  -4.684  -3.283
  994    HE2  MET 109           HE2      MET 109   1.897  -4.571  -4.355
  995    HE3  MET 109           HE3      MET 109   0.657  -3.293  -4.360
  996    H    ALA 110           H        ALA 110  -3.728  -5.088  -7.441
  997    HA   ALA 110           HA       ALA 110  -1.656  -5.021  -9.436
  998    HB1  ALA 110           HB1      ALA 110  -3.189  -6.523 -10.672
  999    HB2  ALA 110           HB2      ALA 110  -3.017  -7.003  -8.979
 1000    HB3  ALA 110           HB3      ALA 110  -4.487  -6.159  -9.513
 1001    H    SER 111           H        SER 111  -4.805  -3.348  -9.213
 1002    HA   SER 111           HA       SER 111  -4.911  -2.356 -11.880
 1003    HB2  SER 111           HB2      SER 111  -6.050  -1.177  -9.318
 1004    HB3  SER 111           HB3      SER 111  -6.430  -0.620 -10.951
 1005    HG   SER 111           HG       SER 111  -6.923  -3.205  -9.858
 1006    H    MET 112           H        MET 112  -2.701  -1.433  -9.395
 1007    HA   MET 112           HA       MET 112  -2.117   1.227 -10.445
 1008    HB2  MET 112           HB2      MET 112  -0.501  -0.505  -8.537
 1009    HB3  MET 112           HB3      MET 112  -0.276   1.221  -8.848
 1010    HG2  MET 112           HG2      MET 112  -2.543   1.688  -7.974
 1011    HG3  MET 112           HG3      MET 112  -2.766  -0.033  -7.641
 1012    HE1  MET 112           HE1      MET 112  -3.377   0.123  -5.209
 1013    HE2  MET 112           HE2      MET 112  -2.623   1.270  -4.073
 1014    HE3  MET 112           HE3      MET 112  -3.461   1.861  -5.532
 1015    H    THR 113           H        THR 113  -1.452  -1.815 -11.673
 1016    HA   THR 113           HA       THR 113   1.035  -0.928 -12.990
 1017    HB   THR 113           HB       THR 113   2.083  -2.875 -12.818
 1018    HG1  THR 113           HG1      THR 113   0.587  -4.228 -13.721
 1019   HG21  THR 113          HG21      THR 113   1.836  -3.800 -10.561
 1020   HG22  THR 113          HG22      THR 113   0.254  -3.047 -10.375
 1021   HG23  THR 113          HG23      THR 113   1.710  -2.029 -10.514
 1022    H    GLY 114           H        GLY 114  -1.765  -0.602 -13.932
 1023    HA2  GLY 114           HA2      GLY 114  -1.205  -1.045 -16.768
 1024    HA3  GLY 114           HA3      GLY 114  -2.534  -2.022 -16.136
 1025    H    GLY 115           H        GLY 115  -3.887  -0.849 -17.655
 1026    HA2  GLY 115           HA2      GLY 115  -5.635   0.650 -18.009
 1027    HA3  GLY 115           HA3      GLY 115  -5.241   1.447 -16.490
 1028    H    GLN 116           H        GLN 116  -5.436   3.527 -17.279
 1029    HA   GLN 116           HA       GLN 116  -3.241   4.596 -18.923
 1030    HB2  GLN 116           HB2      GLN 116  -4.724   5.731 -20.491
 1031    HB3  GLN 116           HB3      GLN 116  -4.904   3.985 -20.608
 1032    HG2  GLN 116           HG2      GLN 116  -7.022   4.076 -19.353
 1033    HG3  GLN 116           HG3      GLN 116  -6.818   5.810 -19.071
 1034   HE21  GLN 116          HE21      GLN 116  -7.086   3.426 -21.798
 1035   HE22  GLN 116          HE22      GLN 116  -7.846   4.584 -22.883
 1036    H    GLN 117           H        GLN 117  -3.345   7.014 -19.049
 1037    HA   GLN 117           HA       GLN 117  -4.759   8.397 -16.872
 1038    HB2  GLN 117           HB2      GLN 117  -2.743   9.313 -15.879
 1039    HB3  GLN 117           HB3      GLN 117  -2.737   7.554 -15.765
 1040    HG2  GLN 117           HG2      GLN 117  -1.151   7.429 -17.682
 1041    HG3  GLN 117           HG3      GLN 117  -1.185   9.187 -17.830
 1042   HE21  GLN 117          HE21      GLN 117   1.254   8.708 -17.614
 1043   HE22  GLN 117          HE22      GLN 117   1.874   8.725 -15.969
 1044    H    MET 118           H        MET 118  -4.482  10.751 -16.972
 1045    HA   MET 118           HA       MET 118  -4.888  11.764 -19.602
 1046    HB2  MET 118           HB2      MET 118  -4.342  13.270 -17.007
 1047    HB3  MET 118           HB3      MET 118  -4.936  13.972 -18.507
 1048    HG2  MET 118           HG2      MET 118  -6.862  13.717 -17.240
 1049    HG3  MET 118           HG3      MET 118  -6.912  12.389 -18.387
 1050    HE1  MET 118           HE1      MET 118  -6.221  12.049 -13.802
 1051    HE2  MET 118           HE2      MET 118  -5.002  12.812 -14.842
 1052    HE3  MET 118           HE3      MET 118  -6.617  13.542 -14.680
 1053    H    GLY 119           H        GLY 119  -3.737  13.217 -20.858
 1054    HA2  GLY 119           HA2      GLY 119  -0.848  12.935 -21.007
 1055    HA3  GLY 119           HA3      GLY 119  -1.869  13.941 -22.033