*HEADER    LIGASE                                  31-JAN-12   2RSF              
*TITLE     COMPLEX STRUCTURE OF WWE IN RNF146 WITH ATP                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE RNF146;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WWE DOMAIN, UNP RESIDUES 83-179;                           
*COMPND   5 SYNONYM: RING FINGER PROTEIN 146;                                    
*COMPND   6 EC: 6.3.2.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: RNF146;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P111111                                    
*KEYWDS    WWE DOMAIN, RNF146, UBIQUITIN E3 LIGASE, LIGASE                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.HE, Y.MUTO, M.INOUE, T.KIGAWA, M.SHIROUZU, T.TERADA, S.YOKOYAMA     
*REVDAT   1   06-MAR-13 2RSF    0                                                


#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=13,7,11,12, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=10,4,8,9, &end
#
#  chirality for residue 1 atoms:  CG N HD2 HD3
 &rst iat=7,1,5,6, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,15,14,10, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=19,24,22,23, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=17,26,20,21, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=30,35,33,34, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=28,37,31,32, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=39,44,42,43, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=48,53,51,52, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=46,55,49,50, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=59,64,62,63, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=57,66,60,61, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=68,73,71,72, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=77,82,80,81, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=75,93,78,79, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=97,102,100,101, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=99,104,108,103, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=95,112,98,99, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=114,124,117,118, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=128,133,131,132, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=130,136,134,135, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=136,142,140,141, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=133,139,137,138, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=126,146,129,130, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=158,152,156,157, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=155,149,153,154, &end
#
#  chirality for residue 12 atoms:  CG N HD2 HD3
 &rst iat=152,148,150,151, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=148,160,159,155, &end
#
#  chirality for residue 13 atoms:  CA CG2 OG1 HB
 &rst iat=164,168,172,167, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=162,174,165,166, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=178,183,181,182, &end
#
#  chirality for residue 14 atoms:  CB CD1 CD2 HG
 &rst iat=180,185,189,184, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=176,193,179,180, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=197,202,200,201, &end
#
#  chirality for residue 15 atoms:  CB CD1 CD2 HG
 &rst iat=199,204,208,203, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=195,212,198,199, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=216,221,219,220, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=214,223,217,218, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=235,229,233,234, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=232,226,230,231, &end
#
#  chirality for residue 17 atoms:  CG N HD2 HD3
 &rst iat=229,225,227,228, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=225,237,236,232, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=241,246,244,245, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=243,249,247,248, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=239,252,242,243, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=256,261,259,260, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=258,264,262,263, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=254,267,257,258, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=271,276,274,275, &end
#
#  chirality for residue 20 atoms:  CB CD1 CD2 HG
 &rst iat=273,278,282,277, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=269,286,272,273, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=290,295,293,294, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=292,298,296,297, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=298,304,302,303, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=295,301,299,300, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=288,308,291,292, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=310,318,313,314, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=320,328,323,324, &end
#
#  chirality for residue 24 atoms:  CA OG HB2 HB3
 &rst iat=332,337,335,336, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=330,339,333,334, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=343,348,346,347, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=345,351,349,350, &end
#
#  chirality for residue 25 atoms:  CG NE HD2 HD3
 &rst iat=348,354,352,353, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=341,363,344,345, &end
#
#  chirality for residue 26 atoms:  N C HA2 HA3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=374,379,377,378, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=372,384,375,376, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=386,391,389,390, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=395,400,398,399, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=397,403,401,402, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=393,406,396,397, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=410,415,413,414, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=408,427,411,412, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=429,437,432,433, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=441,446,444,445, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=439,461,442,443, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=463,482,466,467, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=484,503,487,488, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=509,515,513,514, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=505,518,508,509, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=520,525,523,524, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=529,534,532,533, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=531,537,535,536, &end
#
#  chirality for residue 37 atoms:  CG NE HD2 HD3
 &rst iat=534,540,538,539, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=527,549,530,531, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=553,558,556,557, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=551,563,554,555, &end
#
#  chirality for residue 39 atoms:  N C HA2 HA3
 &rst iat=565,570,568,569, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=574,579,577,578, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=572,594,575,576, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=598,603,601,602, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=596,618,599,600, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=622,627,625,626, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=624,630,628,629, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=620,635,623,624, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=639,644,642,643, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=637,656,640,641, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=660,665,663,664, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=658,668,661,662, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=672,677,675,676, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=674,680,678,679, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=670,683,673,674, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=687,692,690,691, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=689,695,693,694, &end
#
#  chirality for residue 46 atoms:  CG NE HD2 HD3
 &rst iat=692,698,696,697, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=685,707,688,689, &end
#
#  chirality for residue 47 atoms:  CA CG2 OG1 HB
 &rst iat=711,715,719,714, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=709,721,712,713, &end
#
#  chirality for residue 48 atoms:  CA OG HB2 HB3
 &rst iat=725,730,728,729, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=723,732,726,727, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=736,741,739,740, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=738,744,742,743, &end
#
#  chirality for residue 49 atoms:  CG NE HD2 HD3
 &rst iat=741,747,745,746, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=734,756,737,738, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=760,765,763,764, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=762,768,766,767, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=758,771,761,762, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=775,780,778,779, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=777,782,786,781, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=773,790,776,777, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=794,799,797,798, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=796,802,800,801, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=792,805,795,796, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=809,814,812,813, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=807,817,810,811, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=819,827,822,823, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=831,836,834,835, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=829,847,832,833, &end
#
#  chirality for residue 56 atoms:  CA OG HB2 HB3
 &rst iat=851,856,854,855, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=849,858,852,853, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=862,867,865,866, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=864,870,868,869, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=870,876,874,875, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=867,873,871,872, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=860,880,863,864, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=882,887,885,886, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=891,896,894,895, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=893,899,897,898, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=899,905,903,904, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=896,902,900,901, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=889,909,892,893, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=913,918,916,917, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=915,921,919,920, &end
#
#  chirality for residue 60 atoms:  CD NZ HE2 HE3
 &rst iat=921,927,925,926, &end
#
#  chirality for residue 60 atoms:  CG CE HD2 HD3
 &rst iat=918,924,922,923, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=911,931,914,915, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=935,940,938,939, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=933,945,936,937, &end
#
#  chirality for residue 62 atoms:  CA CG2 OG1 HB
 &rst iat=949,953,957,952, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=947,959,950,951, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=963,968,966,967, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=965,971,969,970, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=961,974,964,965, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=978,983,981,982, &end
#
#  chirality for residue 64 atoms:  CB SD HG2 HG3
 &rst iat=980,986,984,985, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=976,991,979,980, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=995,1000,998,999, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=997,1002,1006,1001, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=993,1010,996,997, &end
#
#  chirality for residue 66 atoms:  CA CG2 CG1 HB
 &rst iat=1014,1018,1022,1017, &end
#
#  chirality for residue 66 atoms:  CB CD1 HG12 HG13
 &rst iat=1016,1025,1023,1024, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1012,1029,1015,1016, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1031,1039,1034,1035, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1041,1046,1044,1045, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1050,1055,1053,1054, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1048,1066,1051,1052, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1070,1075,1073,1074, &end
#
#  chirality for residue 70 atoms:  CB CD1 CD2 HG
 &rst iat=1072,1077,1081,1076, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1068,1085,1071,1072, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1089,1094,1092,1093, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1087,1106,1090,1091, &end
#
#  chirality for residue 72 atoms:  CA CG1 CG2 HB
 &rst iat=1110,1114,1118,1113, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1108,1122,1111,1112, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1124,1132,1127,1128, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1136,1141,1139,1140, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1134,1144,1137,1138, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1148,1153,1151,1152, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1150,1155,1159,1154, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1146,1163,1149,1150, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1167,1172,1170,1171, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1169,1175,1173,1174, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1165,1178,1168,1169, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1182,1187,1185,1186, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1180,1192,1183,1184, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 78 atoms:  CB SD HG2 HG3
 &rst iat=1198,1204,1202,1203, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1194,1209,1197,1198, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1213,1217,1221,1216, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1211,1225,1214,1215, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1229,1234,1232,1233, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1231,1237,1235,1236, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1227,1242,1230,1231, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1246,1251,1249,1250, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1244,1263,1247,1248, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1267,1272,1270,1271, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1269,1275,1273,1274, &end
#
#  chirality for residue 82 atoms:  CG NE HD2 HD3
 &rst iat=1272,1278,1276,1277, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1265,1287,1268,1269, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1291,1296,1294,1295, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1293,1299,1297,1298, &end
#
#  chirality for residue 83 atoms:  CG NE HD2 HD3
 &rst iat=1296,1302,1300,1301, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1289,1311,1292,1293, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1315,1320,1318,1319, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1313,1325,1316,1317, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1329,1334,1332,1333, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1331,1337,1335,1336, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1327,1340,1330,1331, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1344,1349,1347,1348, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1342,1357,1345,1346, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1359,1364,1362,1363, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1368,1373,1371,1372, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1370,1376,1374,1375, &end
#
#  chirality for residue 88 atoms:  CG NE HD2 HD3
 &rst iat=1373,1379,1377,1378, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1366,1388,1369,1370, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1392,1397,1395,1396, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1394,1400,1398,1399, &end
#
#  chirality for residue 89 atoms:  CG NE HD2 HD3
 &rst iat=1397,1403,1401,1402, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1390,1412,1393,1394, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1416,1421,1419,1420, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1418,1424,1422,1423, &end
#
#  chirality for residue 90 atoms:  CG NE HD2 HD3
 &rst iat=1421,1427,1425,1426, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1414,1436,1417,1418, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1440,1445,1443,1444, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1442,1448,1446,1447, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1448,1454,1452,1453, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1445,1451,1449,1450, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1438,1458,1441,1442, &end
#
#  chirality for residue 92 atoms:  CA CG2 CG1 HB
 &rst iat=1462,1466,1470,1465, &end
#
#  chirality for residue 92 atoms:  CB CD1 HG12 HG13
 &rst iat=1464,1473,1471,1472, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1460,1477,1463,1464, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1481,1486,1484,1485, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1483,1489,1487,1488, &end
#
#  chirality for residue 93 atoms:  CD NZ HE2 HE3
 &rst iat=1489,1495,1493,1494, &end
#
#  chirality for residue 93 atoms:  CG CE HD2 HD3
 &rst iat=1486,1492,1490,1491, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1479,1499,1482,1483, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1503,1508,1506,1507, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1505,1511,1509,1510, &end
#
#  chirality for residue 94 atoms:  CG NE HD2 HD3
 &rst iat=1508,1514,1512,1513, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1501,1523,1504,1505, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1527,1532,1530,1531, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1525,1535,1528,1529, &end
#
#  chirality for residue 96 atoms:  CA CG2 CG1 HB
 &rst iat=1539,1543,1547,1542, &end
#
#  chirality for residue 96 atoms:  CB CD1 HG12 HG13
 &rst iat=1541,1550,1548,1549, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1537,1554,1540,1541, &end
#
#  chirality for residue 97 atoms:  CA CG2 CG1 HB
 &rst iat=1558,1562,1566,1561, &end
#
#  chirality for residue 97 atoms:  CB CD1 HG12 HG13
 &rst iat=1560,1569,1567,1568, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1556,1573,1559,1560, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1577,1582,1580,1581, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1575,1585,1578,1579, &end
#
#  chirality for residue 99 atoms:  CA CG2 CG1 HB
 &rst iat=1589,1593,1597,1592, &end
#
#  chirality for residue 99 atoms:  CB CD1 HG12 HG13
 &rst iat=1591,1600,1598,1599, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1587,1604,1590,1591, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1616,1610,1614,1615, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1613,1607,1611,1612, &end
#
#  chirality for residue 100 atoms:  CG N HD2 HD3
 &rst iat=1610,1606,1608,1609, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1606,1618,1617,1613, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1622,1627,1625,1626, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1624,1630,1628,1629, &end
#
#  chirality for residue 101 atoms:  CD NZ HE2 HE3
 &rst iat=1630,1636,1634,1635, &end
#
#  chirality for residue 101 atoms:  CG CE HD2 HD3
 &rst iat=1627,1633,1631,1632, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1620,1640,1623,1624, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1644,1649,1647,1648, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1646,1652,1650,1651, &end
#
#  chirality for residue 102 atoms:  CD NZ HE2 HE3
 &rst iat=1652,1658,1656,1657, &end
#
#  chirality for residue 102 atoms:  CG CE HD2 HD3
 &rst iat=1649,1655,1653,1654, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1642,1662,1645,1646, &end
#
#  chirality for residue 103 atoms:  N C HA2 HA3
 &rst iat=1664,1669,1667,1668, &end
#
#  chirality for residue 104 atoms:  CA CG1 CG2 HB
 &rst iat=1673,1677,1681,1676, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1671,1685,1674,1675, &end
#
#  chirality for residue 105 atoms:  CA OG HB2 HB3
 &rst iat=1689,1694,1692,1693, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1687,1696,1690,1691, &end
#
#  chirality for residue 106 atoms:  N C HA2 HA3
 &rst iat=1698,1703,1701,1702, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1715,1709,1713,1714, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1712,1706,1710,1711, &end
#
#  chirality for residue 107 atoms:  CG N HD2 HD3
 &rst iat=1709,1705,1707,1708, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1705,1717,1716,1712, &end
#
#  chirality for residue 108 atoms:  CA OG HB2 HB3
 &rst iat=1721,1726,1724,1725, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1719,1728,1722,1723, &end
#
#  chirality for residue 109 atoms:  CA OG HB2 HB3
 &rst iat=1732,1737,1735,1736, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1730,1739,1733,1734, &end
#
#  chirality for residue 110 atoms:  N C HA2 HA3
 &rst iat=1741,1746,1744,1745, &end
#
#  trans-omega constraint for residue 2
 &rst iat=19,17,15,13, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=30,28,26,19, &end
#
#  trans-omega constraint for residue 4
 &rst iat=41,39,37,30, &end
#
#  trans-omega constraint for residue 5
 &rst iat=48,46,44,41, &end
#
#  trans-omega constraint for residue 6
 &rst iat=59,57,55,48, &end
#
#  trans-omega constraint for residue 7
 &rst iat=70,68,66,59, &end
#
#  trans-omega constraint for residue 8
 &rst iat=77,75,73,70, &end
#
#  trans-omega constraint for residue 9
 &rst iat=97,95,93,77, &end
#
#  trans-omega constraint for residue 10
 &rst iat=116,114,112,97, &end
#
#  trans-omega constraint for residue 11
 &rst iat=128,126,124,116, &end
#
#  trans-omega constraint for residue 12
 &rst iat=158,148,146,128, &end
#
#  trans-omega constraint for residue 13
 &rst iat=164,162,160,158, &end
#
#  trans-omega constraint for residue 14
 &rst iat=178,176,174,164, &end
#
#  trans-omega constraint for residue 15
 &rst iat=197,195,193,178, &end
#
#  trans-omega constraint for residue 16
 &rst iat=216,214,212,197, &end
#
#  trans-omega constraint for residue 17
 &rst iat=235,225,223,216, &end
#
#  trans-omega constraint for residue 18
 &rst iat=241,239,237,235, &end
#
#  trans-omega constraint for residue 19
 &rst iat=256,254,252,241, &end
#
#  trans-omega constraint for residue 20
 &rst iat=271,269,267,256, &end
#
#  trans-omega constraint for residue 21
 &rst iat=290,288,286,271, &end
#
#  trans-omega constraint for residue 22
 &rst iat=312,310,308,290, &end
#
#  trans-omega constraint for residue 23
 &rst iat=322,320,318,312, &end
#
#  trans-omega constraint for residue 24
 &rst iat=332,330,328,322, &end
#
#  trans-omega constraint for residue 25
 &rst iat=343,341,339,332, &end
#
#  trans-omega constraint for residue 26
 &rst iat=367,365,363,343, &end
#
#  trans-omega constraint for residue 27
 &rst iat=374,372,370,367, &end
#
#  trans-omega constraint for residue 28
 &rst iat=388,386,384,374, &end
#
#  trans-omega constraint for residue 29
 &rst iat=395,393,391,388, &end
#
#  trans-omega constraint for residue 30
 &rst iat=410,408,406,395, &end
#
#  trans-omega constraint for residue 31
 &rst iat=431,429,427,410, &end
#
#  trans-omega constraint for residue 32
 &rst iat=441,439,437,431, &end
#
#  trans-omega constraint for residue 33
 &rst iat=465,463,461,441, &end
#
#  trans-omega constraint for residue 34
 &rst iat=486,484,482,465, &end
#
#  trans-omega constraint for residue 35
 &rst iat=507,505,503,486, &end
#
#  trans-omega constraint for residue 36
 &rst iat=522,520,518,507, &end
#
#  trans-omega constraint for residue 37
 &rst iat=529,527,525,522, &end
#
#  trans-omega constraint for residue 38
 &rst iat=553,551,549,529, &end
#
#  trans-omega constraint for residue 39
 &rst iat=567,565,563,553, &end
#
#  trans-omega constraint for residue 40
 &rst iat=574,572,570,567, &end
#
#  trans-omega constraint for residue 41
 &rst iat=598,596,594,574, &end
#
#  trans-omega constraint for residue 42
 &rst iat=622,620,618,598, &end
#
#  trans-omega constraint for residue 43
 &rst iat=639,637,635,622, &end
#
#  trans-omega constraint for residue 44
 &rst iat=660,658,656,639, &end
#
#  trans-omega constraint for residue 45
 &rst iat=672,670,668,660, &end
#
#  trans-omega constraint for residue 46
 &rst iat=687,685,683,672, &end
#
#  trans-omega constraint for residue 47
 &rst iat=711,709,707,687, &end
#
#  trans-omega constraint for residue 48
 &rst iat=725,723,721,711, &end
#
#  trans-omega constraint for residue 49
 &rst iat=736,734,732,725, &end
#
#  trans-omega constraint for residue 50
 &rst iat=760,758,756,736, &end
#
#  trans-omega constraint for residue 51
 &rst iat=775,773,771,760, &end
#
#  trans-omega constraint for residue 52
 &rst iat=794,792,790,775, &end
#
#  trans-omega constraint for residue 53
 &rst iat=809,807,805,794, &end
#
#  trans-omega constraint for residue 54
 &rst iat=821,819,817,809, &end
#
#  trans-omega constraint for residue 55
 &rst iat=831,829,827,821, &end
#
#  trans-omega constraint for residue 56
 &rst iat=851,849,847,831, &end
#
#  trans-omega constraint for residue 57
 &rst iat=862,860,858,851, &end
#
#  trans-omega constraint for residue 58
 &rst iat=884,882,880,862, &end
#
#  trans-omega constraint for residue 59
 &rst iat=891,889,887,884, &end
#
#  trans-omega constraint for residue 60
 &rst iat=913,911,909,891, &end
#
#  trans-omega constraint for residue 61
 &rst iat=935,933,931,913, &end
#
#  trans-omega constraint for residue 62
 &rst iat=949,947,945,935, &end
#
#  trans-omega constraint for residue 63
 &rst iat=963,961,959,949, &end
#
#  trans-omega constraint for residue 64
 &rst iat=978,976,974,963, &end
#
#  trans-omega constraint for residue 65
 &rst iat=995,993,991,978, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1014,1012,1010,995, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1033,1031,1029,1014, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1043,1041,1039,1033, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1050,1048,1046,1043, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1070,1068,1066,1050, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1089,1087,1085,1070, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1110,1108,1106,1089, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1126,1124,1122,1110, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1136,1134,1132,1126, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1148,1146,1144,1136, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1167,1165,1163,1148, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1182,1180,1178,1167, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1196,1194,1192,1182, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1213,1211,1209,1196, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1229,1227,1225,1213, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1246,1244,1242,1229, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1267,1265,1263,1246, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1291,1289,1287,1267, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1315,1313,1311,1291, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1329,1327,1325,1315, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1344,1342,1340,1329, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1361,1359,1357,1344, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1368,1366,1364,1361, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1392,1390,1388,1368, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1416,1414,1412,1392, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1440,1438,1436,1416, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1462,1460,1458,1440, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1481,1479,1477,1462, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1503,1501,1499,1481, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1527,1525,1523,1503, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1539,1537,1535,1527, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1558,1556,1554,1539, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1577,1575,1573,1558, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1589,1587,1585,1577, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1616,1606,1604,1589, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1622,1620,1618,1616, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1644,1642,1640,1622, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1666,1664,1662,1644, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1673,1671,1669,1666, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1689,1687,1685,1673, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1700,1698,1696,1689, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1715,1705,1703,1700, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1721,1719,1717,1715, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1732,1730,1728,1721, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1743,1741,1739,1732, &end
#
#   7 GLY  QA      8 PHE  HN      2.56             (#peak 289)
 &rst
  ixpk= 289, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr1=  71,  72,
 &end
#
#   7 GLY  QA      8 PHE  QD      4.46             (#peak 2390)
 &rst
  ixpk= 2390, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  71,  72,
 igr2=  84,  92,
 &end
#
#   8 PHE  HA      8 PHE  QB      2.61             (#peak 1094)
 &rst
  ixpk= 1094, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr2=  80,  81,
 &end
#
#   8 PHE  HA      8 PHE  QD      3.77             (#peak 21 #SUP 1.00)
 &rst
  ixpk= 21, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=  84,  92,
 &end
#
#   8 PHE  HA      9 LEU  HN      2.55             (#peak 103 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 103, nxpk= 0, iat=  78,  96, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
#   8 PHE  HA      9 LEU  QB      4.31             (#peak 1091)
 &rst
  ixpk= 1091, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 100, 101,
 &end
#
#   8 PHE  HB2     9 LEU  HN      3.79             (#peak 105 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 105, nxpk= 0, iat=  80,  96, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   8 PHE  HB3     9 LEU  HN      3.79             (#peak 395 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 395, nxpk= 0, iat=  81,  96, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   8 PHE  HN      8 PHE  HB2     3.61             (#peak 290 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 290, nxpk= 0, iat=  76,  80, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   8 PHE  HN      8 PHE  HB3     3.61             (#peak 291 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 291, nxpk= 0, iat=  76,  81, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   8 PHE  HN      8 PHE  QB      2.76             (#peak 291)
 &rst
  ixpk= 291, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2=  80,  81,
 &end
#
#   8 PHE  HN      8 PHE  QD      3.53             (#peak 287 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 287, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=  84,  92,
 &end
#
#   8 PHE  QB      9 LEU  HN      3.14             (#peak 105)
 &rst
  ixpk= 105, nxpk= 0, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=  80,  81,
 &end
#
#   8 PHE  QD      9 LEU  HN      3.94             (#peak 102 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 102, nxpk= 0, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  84,  92,
 &end
#
#   9 LEU  HA     10 ASP- HN      2.42             (#peak 206 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 206, nxpk= 0, iat=  98, 115, r1= 1.30, r2= 1.80, r3= 2.42, r4= 2.92,  &end
#
#   9 LEU  HA      9 LEU  HG      3.39             (#peak 1047 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1047, nxpk= 0, iat=  98, 103, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   9 LEU  HA      9 LEU  QQD     2.79             (#peak 1375)
 &rst
  ixpk= 1375, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   9 LEU  HG     10 ASP- HN      3.56             (#peak 1046 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1046, nxpk= 0, iat= 103, 115, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   9 LEU  HN      9 LEU  HB2     3.51             (#peak 297 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 297, nxpk= 0, iat=  96, 100, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   9 LEU  HN      9 LEU  HB3     3.51             (#peak 107 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 107, nxpk= 0, iat=  96, 101, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   9 LEU  HN      9 LEU  QB      2.70             (#peak 107)
 &rst
  ixpk= 107, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 100, 101,
 &end
#
#   9 LEU  QB      9 LEU  QQD     2.74             (#peak 300)
 &rst
  ixpk= 300, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 100, 101,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#  10 ASP- HA     10 ASP- HB2     3.02             (#peak 1401 #SUP 1.00)
 &rst
  ixpk= 1401, nxpk= 0, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  10 ASP- HA     10 ASP- HB3     3.02             (#peak 1402 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1402, nxpk= 0, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  10 ASP- HA     11 LYS+ HB2     4.23             (#peak 1403 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1403, nxpk= 0, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  10 ASP- HA     11 LYS+ HG2     5.14             (#peak 1404 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1404, nxpk= 0, iat= 117, 134, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  10 ASP- HA     11 LYS+ HN      2.46             (#peak 1400 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1400, nxpk= 0, iat= 117, 127, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96,  &end
#
#  10 ASP- HN     10 ASP- QB      2.66             (#peak 208)
 &rst
  ixpk= 208, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr2= 119, 120,
 &end
#
#  10 ASP- QB     11 LYS+ HN      3.03             (#peak 183)
 &rst
  ixpk= 183, nxpk= 0, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 119, 120,
 &end
#
#  11 LYS+ HA     11 LYS+ HB3     2.90             (#peak 1408 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1408, nxpk= 0, iat= 129, 132, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  11 LYS+ HA     11 LYS+ HG2     3.18             (#peak 1410 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 1410, nxpk= 0, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  11 LYS+ HA     11 LYS+ HG3     3.50             (#peak 1256 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1256, nxpk= 0, iat= 129, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 LYS+ HA     11 LYS+ QD      3.52             (#peak 842)
 &rst
  ixpk= 842, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 137, 138,
 &end
#
#  11 LYS+ HA     12 PRO  HD2     2.63             (#peak 1405 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1405, nxpk= 0, iat= 129, 150, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
#  11 LYS+ HA     12 PRO  HD3     2.53             (#peak 1406 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1406, nxpk= 0, iat= 129, 151, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
#  11 LYS+ HB2    12 PRO  HD2     3.93             (#peak 621 #SUP 1.00)
 &rst
  ixpk= 621, nxpk= 0, iat= 131, 150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  11 LYS+ HB3    11 LYS+ HG2     3.00             (#peak 613 #SUP 0.90 #QF 0.68)
 &rst
  ixpk= 613, nxpk= 0, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LYS+ HB3    12 PRO  HD2     3.75             (#peak 614 #SUP 1.00)
 &rst
  ixpk= 614, nxpk= 0, iat= 132, 150, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  11 LYS+ HB3    12 PRO  HD3     3.56             (#peak 631 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 631, nxpk= 0, iat= 132, 151, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  11 LYS+ HG2    12 PRO  HD2     4.03             (#peak 1583 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 1583, nxpk= 0, iat= 134, 150, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  11 LYS+ HG2    12 PRO  HD3     3.71             (#peak 1587 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1587, nxpk= 0, iat= 134, 151, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  11 LYS+ HN     11 LYS+ HB2     2.50             (#peak 187 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 187, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  11 LYS+ HN     11 LYS+ HB3     3.63             (#peak 615 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 615, nxpk= 0, iat= 127, 132, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  11 LYS+ HN     11 LYS+ HG2     4.21             (#peak 1251 #SUP 1.00)
 &rst
  ixpk= 1251, nxpk= 0, iat= 127, 134, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  11 LYS+ HN     11 LYS+ HG3     4.02             (#peak 1255 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1255, nxpk= 0, iat= 127, 135, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  11 LYS+ HN     12 PRO  HD2     4.84             (#peak 1579 #SUP 1.00)
 &rst
  ixpk= 1579, nxpk= 0, iat= 127, 150, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  11 LYS+ HN     12 PRO  HD3     5.27             (#peak 1584 #SUP 1.00)
 &rst
  ixpk= 1584, nxpk= 0, iat= 127, 151, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  11 LYS+ QD     12 PRO  HD2     3.61             (#peak 1582)
 &rst
  ixpk= 1582, nxpk= 0, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 137, 138,
 &end
#
#  11 LYS+ QD     12 PRO  HD3     3.48             (#peak 1585)
 &rst
  ixpk= 1585, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 137, 138,
 &end
#
#  12 PRO  HA     13 THR  HB      4.28             (#peak 687 #SUP 1.00)
 &rst
  ixpk= 687, nxpk= 0, iat= 159, 167, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  12 PRO  HA     13 THR  HN      2.70             (#peak 443 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 443, nxpk= 0, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  12 PRO  HA     13 THR  QG2     4.03             (#peak 693 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 693, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 169, 170, 171,
 &end
#
#  12 PRO  HB2    13 THR  HN      3.28             (#peak 446 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 446, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  12 PRO  HB3    13 THR  HN      3.28             (#peak 448 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 448, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  12 PRO  HG2    13 THR  HN      4.13             (#peak 447 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 447, nxpk= 0, iat= 153, 163, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  12 PRO  QB     13 THR  QG2     4.50             (#peak 1453)
 &rst
  ixpk= 1453, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 169, 170, 171,
 &end
#
#  13 THR  HA     13 THR  HB      2.64             (#peak 449 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 449, nxpk= 0, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  13 THR  HA     13 THR  QG2     3.21             (#peak 1450 #SUP 1.00)
 &rst
  ixpk= 1450, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 169, 170, 171,
 &end
#
#  13 THR  HA     14 LEU  HG      3.43             (#peak 781 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 781, nxpk= 0, iat= 165, 184, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  13 THR  HA     14 LEU  HN      2.55             (#peak 51 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 51, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
#  13 THR  HA     14 LEU  QD1     4.00             (#peak 783 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 783, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 186, 187, 188,
 &end
#
#  13 THR  HB     14 LEU  HN      3.88             (#peak 52 #SUP 1.00)
 &rst
  ixpk= 52, nxpk= 0, iat= 167, 177, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  13 THR  HB     15 LEU  HB2     5.04             (#peak 279 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 279, nxpk= 0, iat= 167, 200, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  13 THR  HB     20 LEU  QD2     3.91             (#peak 452 #SUP 0.81 #QF 0.55)
 &rst
  ixpk= 452, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 283, 284, 285,
 &end
#
#  13 THR  HN     13 THR  HA      2.87             (#peak 444 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 444, nxpk= 0, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  13 THR  HN     13 THR  HB      3.48             (#peak 447 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 447, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  13 THR  HN     13 THR  QG2     2.96             (#peak 1448 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1448, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 169, 170, 171,
 &end
#
#  13 THR  HN     14 LEU  HG      4.96             (#peak 754 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 754, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  13 THR  HN     20 LEU  QD1     5.50             (#peak 450 #SUP 0.82 #QF 0.37)
 &rst
  ixpk= 450, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 279, 280, 281,
 &end
#
#  13 THR  HN     20 LEU  QD2     5.50             (#peak 450 #SUP 0.82 #QF 0.37)
 &rst
  ixpk= 450, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 283, 284, 285,
 &end
#
#  13 THR  QG2    14 LEU  HN      3.35             (#peak 54 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 54, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 169, 170, 171,
 &end
#
#  13 THR  QG2    15 LEU  HG      3.93             (#peak 1454 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1454, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 169, 170, 171,
 &end
#
#  13 THR  QG2    15 LEU  HN      3.72             (#peak 1449 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1449, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 169, 170, 171,
 &end
#
#  13 THR  QG2    20 LEU  QD2     3.27             (#peak 1455 #SUP 0.22 #QF 0.22)
 &rst
  ixpk= 1455, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 169, 170, 171,
 igr2= 283, 284, 285,
 &end
#
#  14 LEU  HA     14 LEU  HB3     2.59             (#peak 1370 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1370, nxpk= 0, iat= 179, 182, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
#  14 LEU  HA     14 LEU  HG      3.34             (#peak 1024 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1024, nxpk= 0, iat= 179, 184, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  14 LEU  HA     14 LEU  QD1     3.92             (#peak 1186 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1186, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 186, 187, 188,
 &end
#
#  14 LEU  HA     14 LEU  QD2     3.08             (#peak 1371 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1371, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 190, 191, 192,
 &end
#
#  14 LEU  HB2    14 LEU  QD1     2.72             (#peak 306 #SUP 0.93 #QF 0.50)
 &rst
  ixpk= 306, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 186, 187, 188,
 &end
#
#  14 LEU  HB3    14 LEU  QD2     2.74             (#peak 2528 #SUP 1.00 #QF 0.72)
 &rst
  ixpk= 2528, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 190, 191, 192,
 &end
#
#  14 LEU  HG     15 LEU  HN      4.72             (#peak 1023 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1023, nxpk= 0, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  14 LEU  HN     14 LEU  HB2     2.92             (#peak 304 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 304, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#  14 LEU  HN     14 LEU  HG      3.29             (#peak 53 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 53, nxpk= 0, iat= 177, 184, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  14 LEU  HN     14 LEU  QD1     3.39             (#peak 55 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 55, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 186, 187, 188,
 &end
#
#  14 LEU  HN     15 LEU  HG      3.86             (#peak 980 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 980, nxpk= 0, iat= 177, 203, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  14 LEU  HN     15 LEU  HN      3.01             (#peak 49 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 49, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  14 LEU  HN     15 LEU  QD2     3.88             (#peak 1350 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1350, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 209, 210, 211,
 &end
#
#  14 LEU  QD1    15 LEU  HN      4.28             (#peak 1185 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1185, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 186, 187, 188,
 &end
#
#  15 LEU  HA     15 LEU  HB3     2.82             (#peak 1382 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1382, nxpk= 0, iat= 198, 201, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  15 LEU  HA     15 LEU  HG      3.46             (#peak 982 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 982, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  15 LEU  HA     15 LEU  QD2     2.51             (#peak 1348 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1348, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
 igr2= 209, 210, 211,
 &end
#
#  15 LEU  HA     16 SER  HA      4.47             (#peak 1378 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1378, nxpk= 0, iat= 198, 217, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  15 LEU  HA     16 SER  HB2     4.62             (#peak 1379 #SUP 1.00)
 &rst
  ixpk= 1379, nxpk= 0, iat= 198, 219, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  15 LEU  HA     16 SER  HN      2.79             (#peak 350 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 350, nxpk= 0, iat= 198, 215, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
#  15 LEU  HA     19 GLU- HB2     4.77             (#peak 1381 #SUP 1.00)
 &rst
  ixpk= 1381, nxpk= 0, iat= 198, 259, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  15 LEU  HA     19 GLU- QG      4.34             (#peak 1380)
 &rst
  ixpk= 1380, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 262, 263,
 &end
#
#  15 LEU  HB2    15 LEU  QD1     2.97             (#peak 289 #SUP 0.88 #QF 0.79)
 &rst
  ixpk= 289, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 205, 206, 207,
 &end
#
#  15 LEU  HB2    16 SER  HA      4.79             (#peak 1214 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 1214, nxpk= 0, iat= 200, 217, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  15 LEU  HB2    16 SER  HN      3.18             (#peak 357 #SUP 1.00)
 &rst
  ixpk= 357, nxpk= 0, iat= 200, 215, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  15 LEU  HB2    19 GLU- HB2     3.60             (#peak 777 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 777, nxpk= 0, iat= 200, 259, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  15 LEU  HB2    19 GLU- HB3     3.84             (#peak 766 #SUP 1.00)
 &rst
  ixpk= 766, nxpk= 0, iat= 200, 260, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  15 LEU  HB2    19 GLU- QG      4.09             (#peak 466)
 &rst
  ixpk= 466, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 262, 263,
 &end
#
#  15 LEU  HB2    20 LEU  HN      4.03             (#peak 277 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 277, nxpk= 0, iat= 200, 270, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  15 LEU  HB2    20 LEU  QD1     3.27             (#peak 289 #SUP 0.88 #QF 0.79)
 &rst
  ixpk= 289, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 279, 280, 281,
 &end
#
#  15 LEU  HB3    15 LEU  QD1     2.73             (#peak 286 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 286, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 205, 206, 207,
 &end
#
#  15 LEU  HB3    15 LEU  QD2     2.70             (#peak 1349 #SUP 1.00 #QF 0.84)
 &rst
  ixpk= 1349, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 209, 210, 211,
 &end
#
#  15 LEU  HB3    16 SER  HA      4.81             (#peak 1222 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1222, nxpk= 0, iat= 201, 217, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  15 LEU  HB3    16 SER  HB3     5.25             (#peak 2500 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2500, nxpk= 0, iat= 201, 220, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  15 LEU  HB3    16 SER  HN      3.16             (#peak 356 #SUP 1.00)
 &rst
  ixpk= 356, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  15 LEU  HB3    19 GLU- HB2     4.04             (#peak 287 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 287, nxpk= 0, iat= 201, 259, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  15 LEU  HB3    19 GLU- HB3     3.78             (#peak 765 #SUP 1.00)
 &rst
  ixpk= 765, nxpk= 0, iat= 201, 260, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  15 LEU  HB3    19 GLU- HG2     4.38             (#peak 2392 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2392, nxpk= 0, iat= 201, 262, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  15 LEU  HB3    19 GLU- HG3     4.38             (#peak 274 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 274, nxpk= 0, iat= 201, 263, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  15 LEU  HB3    19 GLU- HN      4.93             (#peak 197 #SUP 0.69 #QF 0.56)
 &rst
  ixpk= 197, nxpk= 0, iat= 201, 255, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  15 LEU  HB3    19 GLU- QG      3.67             (#peak 274)
 &rst
  ixpk= 274, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 262, 263,
 &end
#
#  15 LEU  HG     16 SER  HN      4.72             (#peak 979 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 979, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  15 LEU  HN     15 LEU  HB2     2.86             (#peak 89 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 89, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  15 LEU  HN     15 LEU  HB3     3.70             (#peak 285 #SUP 1.00)
 &rst
  ixpk= 285, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  15 LEU  HN     15 LEU  HG      2.40             (#peak 88 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 88, nxpk= 0, iat= 196, 203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  15 LEU  HN     15 LEU  QD2     3.40             (#peak 1347 #SUP 1.00)
 &rst
  ixpk= 1347, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 209, 210, 211,
 &end
#
#  15 LEU  QD1    16 SER  HN      4.08             (#peak 358 #SUP 0.98 #QF 0.73)
 &rst
  ixpk= 358, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 205, 206, 207,
 &end
#
#  15 LEU  QD1    19 GLU- HA      5.09             (#peak 1098 #SUP 0.89 #QF 0.84)
 &rst
  ixpk= 1098, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 205, 206, 207,
 &end
#
#  15 LEU  QD1    19 GLU- HB2     3.35             (#peak 778 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 778, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 205, 206, 207,
 &end
#
#  15 LEU  QD1    19 GLU- HB3     3.72             (#peak 767 #SUP 1.00)
 &rst
  ixpk= 767, nxpk= 0, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 205, 206, 207,
 &end
#
#  15 LEU  QD1    19 GLU- HG2     4.58             (#peak 461 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 461, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 205, 206, 207,
 &end
#
#  15 LEU  QD1    19 GLU- HG3     4.58             (#peak 464 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 464, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 205, 206, 207,
 &end
#
#  15 LEU  QD1    19 GLU- QG      3.71             (#peak 464)
 &rst
  ixpk= 464, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 205, 206, 207,
 igr2= 262, 263,
 &end
#
#  15 LEU  QD2    16 SER  HN      3.81             (#peak 1346 #SUP 1.00)
 &rst
  ixpk= 1346, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 209, 210, 211,
 &end
#
#  15 LEU  QD2    19 GLU- QG      3.69             (#peak 2527)
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 209, 210, 211,
 igr2= 262, 263,
 &end
#
#  16 SER  HA     16 SER  HB2     2.99             (#peak 719 #SUP 1.00)
 &rst
  ixpk= 719, nxpk= 0, iat= 217, 219, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  16 SER  HA     16 SER  HB3     2.84             (#peak 705 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 705, nxpk= 0, iat= 217, 220, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
#  16 SER  HA     17 PRO  HB3     5.34             (#peak 1219 #SUP 1.00)
 &rst
  ixpk= 1219, nxpk= 0, iat= 217, 234, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  16 SER  HA     17 PRO  HD2     2.70             (#peak 1599 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1599, nxpk= 0, iat= 217, 227, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  16 SER  HA     17 PRO  HD3     2.58             (#peak 1218 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1218, nxpk= 0, iat= 217, 228, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
#  16 SER  HA     17 PRO  HG2     4.79             (#peak 913 #SUP 1.00)
 &rst
  ixpk= 913, nxpk= 0, iat= 217, 230, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  16 SER  HA     17 PRO  HG3     4.59             (#peak 922 #SUP 1.00)
 &rst
  ixpk= 922, nxpk= 0, iat= 217, 231, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  16 SER  HA     18 GLU- HN      4.19             (#peak 1216 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1216, nxpk= 0, iat= 217, 240, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  16 SER  HA     18 GLU- QG      5.34             (#peak 1219)
 &rst
  ixpk= 1219, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 247, 248,
 &end
#
#  16 SER  HA     19 GLU- HB2     5.33             (#peak 1221 #SUP 1.00)
 &rst
  ixpk= 1221, nxpk= 0, iat= 217, 259, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  16 SER  HA     20 LEU  QD1     4.40             (#peak 1194 #SUP 0.31 #QF 0.31)
 &rst
  ixpk= 1194, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 279, 280, 281,
 &end
#
#  16 SER  HB2    17 PRO  HD2     3.58             (#peak 721 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 721, nxpk= 0, iat= 219, 227, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  16 SER  HB2    18 GLU- HN      3.80             (#peak 717 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 717, nxpk= 0, iat= 219, 240, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  16 SER  HB2    19 GLU- HB2     4.02             (#peak 720 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 720, nxpk= 0, iat= 219, 259, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  16 SER  HB2    19 GLU- HG2     4.36             (#peak 722 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 722, nxpk= 0, iat= 219, 262, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  16 SER  HB2    19 GLU- HG3     4.36             (#peak 723 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 723, nxpk= 0, iat= 219, 263, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  16 SER  HB2    19 GLU- HN      4.26             (#peak 718 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 718, nxpk= 0, iat= 219, 255, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  16 SER  HB2    19 GLU- QG      3.78             (#peak 723)
 &rst
  ixpk= 723, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 262, 263,
 &end
#
#  16 SER  HB3    17 PRO  HD2     2.93             (#peak 706 #SUP 1.00)
 &rst
  ixpk= 706, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  16 SER  HB3    17 PRO  HD3     3.73             (#peak 1593 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1593, nxpk= 0, iat= 220, 228, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  16 SER  HB3    17 PRO  HG2     4.12             (#peak 707 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 707, nxpk= 0, iat= 220, 230, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  16 SER  HB3    18 GLU- HN      3.44             (#peak 704 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 704, nxpk= 0, iat= 220, 240, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  16 SER  HB3    19 GLU- HB2     4.33             (#peak 708 #SUP 1.00)
 &rst
  ixpk= 708, nxpk= 0, iat= 220, 259, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  16 SER  HB3    19 GLU- HN      3.70             (#peak 194 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 194, nxpk= 0, iat= 220, 255, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  16 SER  HB3    19 GLU- QG      4.19             (#peak 710)
 &rst
  ixpk= 710, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 262, 263,
 &end
#
#  16 SER  HB3    20 LEU  QD1     5.50             (#peak 2610 #SUP 0.93 #QF 0.82)
 &rst
  ixpk= 2610, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 279, 280, 281,
 &end
#
#  16 SER  HN     16 SER  HB2     2.97             (#peak 352 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 352, nxpk= 0, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  16 SER  HN     16 SER  HB3     3.39             (#peak 703 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 703, nxpk= 0, iat= 215, 220, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  16 SER  HN     17 PRO  HD2     4.81             (#peak 353 #SUP 1.00)
 &rst
  ixpk= 353, nxpk= 0, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  16 SER  HN     18 GLU- HN      4.82             (#peak 346 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 346, nxpk= 0, iat= 215, 240, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  16 SER  HN     19 GLU- HB2     3.17             (#peak 355 #SUP 1.00)
 &rst
  ixpk= 355, nxpk= 0, iat= 215, 259, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  16 SER  HN     19 GLU- HB3     4.11             (#peak 771 #SUP 1.00)
 &rst
  ixpk= 771, nxpk= 0, iat= 215, 260, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  16 SER  HN     19 GLU- HN      3.81             (#peak 348 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 348, nxpk= 0, iat= 215, 255, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  16 SER  HN     19 GLU- QG      2.76             (#peak 354)
 &rst
  ixpk= 354, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2= 262, 263,
 &end
#
#  16 SER  HN     20 LEU  HN      4.53             (#peak 170 #SUP 1.00)
 &rst
  ixpk= 170, nxpk= 0, iat= 215, 270, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  16 SER  HN     20 LEU  QD1     4.11             (#peak 1171 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1171, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 279, 280, 281,
 &end
#
#  17 PRO  HA     18 GLU- HN      3.49             (#peak 410 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 410, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  17 PRO  HA     20 LEU  HB2     4.19             (#peak 341 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 341, nxpk= 0, iat= 236, 274, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  17 PRO  HA     20 LEU  HN      4.33             (#peak 580 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 580, nxpk= 0, iat= 236, 270, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  17 PRO  HA     20 LEU  QD1     3.01             (#peak 587 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 587, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 279, 280, 281,
 &end
#
#  17 PRO  HA     21 LYS+ HN      4.51             (#peak 581 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 581, nxpk= 0, iat= 236, 289, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  17 PRO  HB2    18 GLU- HA      4.46             (#peak 646 #SUP 1.00)
 &rst
  ixpk= 646, nxpk= 0, iat= 233, 242, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  17 PRO  HB2    18 GLU- HN      3.77             (#peak 644 #SUP 1.00)
 &rst
  ixpk= 644, nxpk= 0, iat= 233, 240, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  17 PRO  HB3    18 GLU- HN      4.47             (#peak 639 #SUP 1.00)
 &rst
  ixpk= 639, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  17 PRO  HB3    20 LEU  QD1     4.66             (#peak 643 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 643, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 279, 280, 281,
 &end
#
#  17 PRO  HD2    18 GLU- HN      3.16             (#peak 421 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 421, nxpk= 0, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  17 PRO  HD2    18 GLU- QG      4.38             (#peak 1600)
 &rst
  ixpk= 1600, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 247, 248,
 &end
#
#  17 PRO  HD3    18 GLU- HN      3.97             (#peak 1591 #SUP 1.00)
 &rst
  ixpk= 1591, nxpk= 0, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  17 PRO  HG2    18 GLU- HN      3.46             (#peak 423 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 423, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  17 PRO  HG2    18 GLU- QG      3.59             (#peak 916)
 &rst
  ixpk= 916, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 247, 248,
 &end
#
#  17 PRO  HG3    18 GLU- HN      4.28             (#peak 2526 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2526, nxpk= 0, iat= 231, 240, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  18 GLU- HA     18 GLU- HG2     3.86             (#peak 488 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 488, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  18 GLU- HA     18 GLU- HG3     3.86             (#peak 490 #SUP 1.00)
 &rst
  ixpk= 490, nxpk= 0, iat= 242, 248, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  18 GLU- HA     18 GLU- QB      2.53             (#peak 1019)
 &rst
  ixpk= 1019, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
 igr2= 244, 245,
 &end
#
#  18 GLU- HA     20 LEU  HN      4.94             (#peak 1015 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1015, nxpk= 0, iat= 242, 270, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  18 GLU- HA     21 LYS+ HB2     3.13             (#peak 1020 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 1020, nxpk= 0, iat= 242, 293, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  18 GLU- HA     21 LYS+ HN      3.98             (#peak 1017 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 1017, nxpk= 0, iat= 242, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  18 GLU- HA     22 ALA  QB      4.39             (#peak 1021 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 1021, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 315, 316, 317,
 &end
#
#  18 GLU- HB2    19 GLU- HN      4.88             (#peak 827 #SUP 0.86 #QF 0.57)
 &rst
  ixpk= 827, nxpk= 0, iat= 244, 255, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  18 GLU- HB3    19 GLU- HN      4.88             (#peak 827 #SUP 0.86 #QF 0.57)
 &rst
  ixpk= 827, nxpk= 0, iat= 245, 255, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  18 GLU- HN     18 GLU- HA      2.93             (#peak 411 #SUP 1.00)
 &rst
  ixpk= 411, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  18 GLU- HN     18 GLU- QB      2.72             (#peak 424)
 &rst
  ixpk= 424, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
 igr2= 244, 245,
 &end
#
#  18 GLU- HN     18 GLU- QG      2.95             (#peak 422)
 &rst
  ixpk= 422, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 247, 248,
 &end
#
#  18 GLU- HN     19 GLU- HB2     4.74             (#peak 2334 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 2334, nxpk= 0, iat= 240, 259, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  18 GLU- HN     19 GLU- HN      2.89             (#peak 200 #SUP 1.00)
 &rst
  ixpk= 200, nxpk= 0, iat= 240, 255, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  18 GLU- HN     20 LEU  HN      4.57             (#peak 171 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 171, nxpk= 0, iat= 240, 270, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  18 GLU- QB     19 GLU- HN      4.26             (#peak 827)
 &rst
  ixpk= 827, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 244, 245,
 &end
#
#  19 GLU- HA     19 GLU- HB3     2.74             (#peak 1087 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1087, nxpk= 0, iat= 257, 260, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
#  19 GLU- HA     19 GLU- HG2     3.71             (#peak 459 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 459, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  19 GLU- HA     19 GLU- HG3     3.71             (#peak 469 #SUP 1.00)
 &rst
  ixpk= 469, nxpk= 0, iat= 257, 263, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  19 GLU- HA     19 GLU- QG      2.97             (#peak 459)
 &rst
  ixpk= 459, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 262, 263,
 &end
#
#  19 GLU- HA     22 ALA  QB      3.21             (#peak 1097 #SUP 0.67 #QF 0.59)
 &rst
  ixpk= 1097, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 315, 316, 317,
 &end
#
#  19 GLU- HB2    20 LEU  HN      3.21             (#peak 177 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 177, nxpk= 0, iat= 259, 270, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  19 GLU- HB3    20 LEU  HA      4.48             (#peak 2524 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2524, nxpk= 0, iat= 260, 272, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  19 GLU- HB3    20 LEU  HG      4.35             (#peak 765 #SUP 1.00)
 &rst
  ixpk= 765, nxpk= 0, iat= 260, 277, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  19 GLU- HB3    20 LEU  HN      3.04             (#peak 176 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 176, nxpk= 0, iat= 260, 270, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  19 GLU- HG2    20 LEU  HN      4.85             (#peak 457 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 457, nxpk= 0, iat= 262, 270, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  19 GLU- HG3    20 LEU  HN      4.85             (#peak 468 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 468, nxpk= 0, iat= 263, 270, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  19 GLU- HN     19 GLU- HA      2.91             (#peak 201 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 201, nxpk= 0, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
#  19 GLU- HN     19 GLU- HB2     2.75             (#peak 196 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 196, nxpk= 0, iat= 255, 259, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#  19 GLU- HN     19 GLU- HB3     3.73             (#peak 772 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 772, nxpk= 0, iat= 255, 260, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  19 GLU- HN     19 GLU- QG      3.31             (#peak 458)
 &rst
  ixpk= 458, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 262, 263,
 &end
#
#  19 GLU- HN     20 LEU  HB2     5.12             (#peak 202 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 202, nxpk= 0, iat= 255, 274, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  19 GLU- HN     20 LEU  HG      5.37             (#peak 197 #SUP 0.69 #QF 0.56)
 &rst
  ixpk= 197, nxpk= 0, iat= 255, 277, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  19 GLU- HN     20 LEU  HN      2.79             (#peak 172 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 172, nxpk= 0, iat= 255, 270, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
#  19 GLU- HN     20 LEU  QD1     4.25             (#peak 198 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 198, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 279, 280, 281,
 &end
#
#  19 GLU- HN     21 LYS+ HB2     5.02             (#peak 199 #SUP 0.36 #QF 0.36)
 &rst
  ixpk= 199, nxpk= 0, iat= 255, 293, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  19 GLU- HN     22 ALA  QB      4.68             (#peak 203 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 203, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 315, 316, 317,
 &end
#
#  19 GLU- QG     20 LEU  HN      4.21             (#peak 457)
 &rst
  ixpk= 457, nxpk= 0, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 262, 263,
 &end
#
#  19 GLU- QG     22 ALA  QB      4.80             (#peak 460)
 &rst
  ixpk= 460, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 262, 263,
 igr2= 315, 316, 317,
 &end
#
#  20 LEU  HA     20 LEU  HB3     2.92             (#peak 1201 #SUP 1.00 #QF 0.97)
 &rst
  ixpk= 1201, nxpk= 0, iat= 272, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#  20 LEU  HA     20 LEU  HG      3.19             (#peak 1045 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1045, nxpk= 0, iat= 272, 277, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  20 LEU  HA     20 LEU  QD2     3.05             (#peak 1178 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1178, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 283, 284, 285,
 &end
#
#  20 LEU  HB2    20 LEU  QD1     2.68             (#peak 343 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 343, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 279, 280, 281,
 &end
#
#  20 LEU  HB2    21 LYS+ HN      2.93             (#peak 235 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 235, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  20 LEU  HB3    20 LEU  QD2     2.60             (#peak 2525 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2525, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 283, 284, 285,
 &end
#
#  20 LEU  HB3    21 LYS+ HN      3.83             (#peak 345 #SUP 1.00)
 &rst
  ixpk= 345, nxpk= 0, iat= 275, 289, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  20 LEU  HG     21 LYS+ HN      4.68             (#peak 1044 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1044, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  20 LEU  HN     20 LEU  HA      2.92             (#peak 175 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 175, nxpk= 0, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#  20 LEU  HN     20 LEU  HB2     2.65             (#peak 179 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 179, nxpk= 0, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#  20 LEU  HN     20 LEU  HB3     3.69             (#peak 344 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 344, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  20 LEU  HN     20 LEU  HG      2.59             (#peak 180 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 180, nxpk= 0, iat= 270, 277, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
#  20 LEU  HN     20 LEU  QD1     3.01             (#peak 181 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 181, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 279, 280, 281,
 &end
#
#  20 LEU  HN     20 LEU  QD2     3.98             (#peak 2529 #SUP 0.52 #QF 0.52)
 &rst
  ixpk= 2529, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 283, 284, 285,
 &end
#
#  20 LEU  HN     21 LYS+ HN      2.89             (#peak 233 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 233, nxpk= 0, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  20 LEU  HN     22 ALA  HN      4.03             (#peak 733 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 733, nxpk= 0, iat= 270, 311, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  20 LEU  QD1    21 LYS+ HN      3.69             (#peak 1173 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1173, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 279, 280, 281,
 &end
#
#  21 LYS+ HA     21 LYS+ HB3     2.82             (#peak 611 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 611, nxpk= 0, iat= 291, 294, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  21 LYS+ HA     21 LYS+ HD2     2.97             (#peak 1097 #SUP 0.67 #QF 0.59)
 &rst
  ixpk= 1097, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  21 LYS+ HA     21 LYS+ HD3     3.38             (#peak 1182 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1182, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  21 LYS+ HA     21 LYS+ HE2     5.50             (#peak 1986 #SUP 0.92 #QF 0.52)
 &rst
  ixpk= 1986, nxpk= 0, iat= 291, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 LYS+ HA     21 LYS+ HE3     5.50             (#peak 1986 #SUP 0.92 #QF 0.52)
 &rst
  ixpk= 1986, nxpk= 0, iat= 291, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 LYS+ HA     21 LYS+ HG3     3.11             (#peak 864 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 864, nxpk= 0, iat= 291, 297, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  21 LYS+ HB2    21 LYS+ HD3     2.89             (#peak 2523 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 2523, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  21 LYS+ HB2    21 LYS+ HE2     5.50             (#peak 612 #SUP 0.99 #QF 0.85)
 &rst
  ixpk= 612, nxpk= 0, iat= 293, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 LYS+ HB2    21 LYS+ HE3     5.50             (#peak 612 #SUP 0.99 #QF 0.85)
 &rst
  ixpk= 612, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 LYS+ HB2    21 LYS+ QE      4.77             (#peak 612)
 &rst
  ixpk= 612, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 302, 303,
 &end
#
#  21 LYS+ HB2    22 ALA  HN      3.46             (#peak 139 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 139, nxpk= 0, iat= 293, 311, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  21 LYS+ HN     21 LYS+ HA      2.89             (#peak 222 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 222, nxpk= 0, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  21 LYS+ HN     21 LYS+ HB2     2.44             (#peak 234 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 234, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94,  &end
#
#  21 LYS+ HN     21 LYS+ HD2     3.53             (#peak 1183 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1183, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  21 LYS+ HN     21 LYS+ HD3     3.49             (#peak 1181 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1181, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  21 LYS+ HN     21 LYS+ HG2     4.52             (#peak 841 #SUP 1.00)
 &rst
  ixpk= 841, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  21 LYS+ HN     21 LYS+ HG3     4.86             (#peak 841 #SUP 1.00)
 &rst
  ixpk= 841, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  22 ALA  HA     25 ARG+ QB      3.80             (#peak 1445)
 &rst
  ixpk= 1445, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 346, 347,
 &end
#
#  22 ALA  HA     25 ARG+ QG      4.95             (#peak 1446)
 &rst
  ixpk= 1446, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 349, 350,
 &end
#
#  22 ALA  HN     22 ALA  QB      2.49             (#peak 141 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 141, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr2= 315, 316, 317,
 &end
#
#  23 ALA  HN     23 ALA  QB      2.40             (#peak 211 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 211, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2= 325, 326, 327,
 &end
#
#  23 ALA  QB     24 SER  HA      4.02             (#peak 1042 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1042, nxpk= 0, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 325, 326, 327,
 &end
#
#  23 ALA  QB     24 SER  HB2     3.85             (#peak 653 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 653, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 325, 326, 327,
 &end
#
#  23 ALA  QB     24 SER  HN      2.77             (#peak 1575 #SUP 0.88 #QF 0.78)
 &rst
  ixpk= 1575, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 325, 326, 327,
 &end
#
#  24 SER  HA     25 ARG+ HN      3.57             (#peak 189 #SUP 0.50 #QF 0.50)
 &rst
  ixpk= 189, nxpk= 0, iat= 333, 342, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  24 SER  HB3    25 ARG+ HN      3.57             (#peak 190 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 190, nxpk= 0, iat= 336, 342, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  24 SER  HB3    25 ARG+ QB      4.88             (#peak 2269)
 &rst
  ixpk= 2269, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 346, 347,
 &end
#
#  24 SER  HN     24 SER  HB2     3.10             (#peak 488 #SUP 0.88 #QF 0.70)
 &rst
  ixpk= 488, nxpk= 0, iat= 331, 335, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  24 SER  HN     24 SER  HB3     3.43             (#peak 488 #SUP 0.88 #QF 0.70)
 &rst
  ixpk= 488, nxpk= 0, iat= 331, 336, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  24 SER  HN     25 ARG+ HN      3.41             (#peak 188 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 188, nxpk= 0, iat= 331, 342, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  24 SER  HN     25 ARG+ QB      4.71             (#peak 489)
 &rst
  ixpk= 489, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 346, 347,
 &end
#
#  25 ARG+ HA     25 ARG+ HD2     3.73             (#peak 248 #SUP 0.49 #QF 0.29)
 &rst
  ixpk= 248, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  25 ARG+ HA     25 ARG+ HD3     3.73             (#peak 248 #SUP 0.49 #QF 0.29)
 &rst
  ixpk= 248, nxpk= 0, iat= 344, 353, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  25 ARG+ HA     25 ARG+ HG2     3.70             (#peak 997 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 997, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  25 ARG+ HA     25 ARG+ HG3     3.70             (#peak 1003 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1003, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  25 ARG+ HA     25 ARG+ QD      3.19             (#peak 248)
 &rst
  ixpk= 248, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 352, 353,
 &end
#
#  25 ARG+ HA     25 ARG+ QG      3.14             (#peak 997)
 &rst
  ixpk= 997, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 349, 350,
 &end
#
#  25 ARG+ HB2    25 ARG+ HD2     4.21             (#peak 743 #SUP 0.99 #QF 0.95)
 &rst
  ixpk= 743, nxpk= 0, iat= 346, 352, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  25 ARG+ HB2    25 ARG+ HD3     4.21             (#peak 743 #SUP 0.99 #QF 0.95)
 &rst
  ixpk= 743, nxpk= 0, iat= 346, 353, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  25 ARG+ HB2    26 GLY  HN      3.96             (#peak 528 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 528, nxpk= 0, iat= 346, 366, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  25 ARG+ HB3    25 ARG+ HD2     4.21             (#peak 249 #SUP 0.97 #QF 0.90)
 &rst
  ixpk= 249, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  25 ARG+ HB3    25 ARG+ HD3     4.21             (#peak 249 #SUP 0.97 #QF 0.90)
 &rst
  ixpk= 249, nxpk= 0, iat= 347, 353, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  25 ARG+ HB3    26 GLY  HN      3.96             (#peak 533 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 533, nxpk= 0, iat= 347, 366, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  25 ARG+ HN     25 ARG+ HB2     3.38             (#peak 185 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 185, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  25 ARG+ HN     25 ARG+ HB3     3.38             (#peak 186 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 186, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  25 ARG+ HN     25 ARG+ HD2     5.50             (#peak 245 #SUP 0.97 #QF 0.88)
 &rst
  ixpk= 245, nxpk= 0, iat= 342, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 ARG+ HN     25 ARG+ HD3     5.50             (#peak 245 #SUP 0.97 #QF 0.88)
 &rst
  ixpk= 245, nxpk= 0, iat= 342, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 ARG+ HN     25 ARG+ HG2     4.80             (#peak 996 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 996, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  25 ARG+ HN     25 ARG+ HG3     4.80             (#peak 1001 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1001, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  25 ARG+ HN     25 ARG+ QB      2.65             (#peak 186)
 &rst
  ixpk= 186, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 346, 347,
 &end
#
#  25 ARG+ HN     25 ARG+ QG      4.17             (#peak 996)
 &rst
  ixpk= 996, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 349, 350,
 &end
#
#  25 ARG+ QB     25 ARG+ QD      3.18             (#peak 249)
 &rst
  ixpk= 249, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 346, 347,
 igr2= 352, 353,
 &end
#
#  25 ARG+ QB     25 ARG+ QG      2.35             (#peak 2387)
 &rst
  ixpk= 2387, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1= 346, 347,
 igr2= 349, 350,
 &end
#
#  25 ARG+ QB     26 GLY  HN      3.46             (#peak 528)
 &rst
  ixpk= 528, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 346, 347,
 &end
#
#  25 ARG+ QG     26 GLY  HN      4.68             (#peak 529)
 &rst
  ixpk= 529, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 349, 350,
 &end
#
#  26 GLY  HA3    27 ASN  HN      3.10             (#peak 380 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 380, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  26 GLY  HA3    27 ASN  QB      5.34             (#peak 1934)
 &rst
  ixpk= 1934, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 377, 378,
 &end
#
#  27 ASN  HA     27 ASN  QD2     4.06             (#peak 500)
 &rst
  ixpk= 500, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 382, 383,
 &end
#
#  27 ASN  HB2    28 GLY  HN      4.24             (#peak 750 #SUP 0.43 #QF 0.43)
 &rst
  ixpk= 750, nxpk= 0, iat= 377, 387, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  27 ASN  HB3    28 GLY  HN      4.24             (#peak 407 #SUP 1.00)
 &rst
  ixpk= 407, nxpk= 0, iat= 378, 387, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  27 ASN  HN     27 ASN  HB2     4.04             (#peak 404 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 404, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  27 ASN  HN     27 ASN  HB3     4.04             (#peak 381 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 381, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  27 ASN  HN     27 ASN  QB      3.35             (#peak 381)
 &rst
  ixpk= 381, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 377, 378,
 &end
#
#  27 ASN  QB     27 ASN  QD2     2.79             (#peak 502)
 &rst
  ixpk= 502, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 377, 378,
 igr2= 382, 383,
 &end
#
#  27 ASN  QB     28 GLY  HN      3.61             (#peak 750)
 &rst
  ixpk= 750, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 377, 378,
 &end
#
#  27 ASN  QB     28 GLY  QA      5.18             (#peak 1934)
 &rst
  ixpk= 1934, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 377, 378,
 igr2= 389, 390,
 &end
#
#  28 GLY  HN     29 GLU- HA      5.39             (#peak 2381 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2381, nxpk= 0, iat= 387, 396, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  28 GLY  HN     29 GLU- HB2     4.51             (#peak 739 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 739, nxpk= 0, iat= 387, 398, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  28 GLY  HN     29 GLU- HB3     5.38             (#peak 732 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 732, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  28 GLY  HN     29 GLU- HN      3.41             (#peak 749 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 749, nxpk= 0, iat= 387, 394, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  28 GLY  HN     96 ILE  QD1     4.41             (#peak 185 #SUP 0.99 #QF 0.29)
 &rst
  ixpk= 185, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1551,1552,1553,
 &end
#
#  28 GLY  HN     96 ILE  QG2     3.27             (#peak 1650 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 1650, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1544,1545,1546,
 &end
#
#  28 GLY  QA     29 GLU- HA      4.47             (#peak 1925)
 &rst
  ixpk= 1925, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 389, 390,
 &end
#
#  28 GLY  QA     29 GLU- HN      2.99             (#peak 280)
 &rst
  ixpk= 280, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 389, 390,
 &end
#
#  29 GLU- HA     29 GLU- HG2     3.77             (#peak 495 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 495, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  29 GLU- HA     29 GLU- HG3     3.77             (#peak 1315 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1315, nxpk= 0, iat= 396, 402, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  29 GLU- HA     29 GLU- QG      3.16             (#peak 495)
 &rst
  ixpk= 495, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 401, 402,
 &end
#
#  29 GLU- HA     30 TYR  HB3     4.70             (#peak 1926 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1926, nxpk= 0, iat= 396, 414, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  29 GLU- HA     30 TYR  HN      3.23             (#peak 369 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 369, nxpk= 0, iat= 396, 409, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  29 GLU- HA     30 TYR  QD      4.13             (#peak 1313 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1313, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 417, 426,
 &end
#
#  29 GLU- HA     96 ILE  QD1     4.79             (#peak 190 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 190, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1551,1552,1553,
 &end
#
#  29 GLU- HA     96 ILE  QG2     4.43             (#peak 1656 #SUP 1.00)
 &rst
  ixpk= 1656, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1544,1545,1546,
 &end
#
#  29 GLU- HA     97 ILE  HB      4.92             (#peak 2259 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2259, nxpk= 0, iat= 396,1561, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  29 GLU- HA     97 ILE  QD1     4.09             (#peak 145 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 145, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1570,1571,1572,
 &end
#
#  29 GLU- HB2    30 TYR  HN      3.91             (#peak 383 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 383, nxpk= 0, iat= 398, 409, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  29 GLU- HB2    30 TYR  QD      5.32             (#peak 1929 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1929, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 417, 426,
 &end
#
#  29 GLU- HB2    96 ILE  QD1     4.84             (#peak 196 #SUP 1.00)
 &rst
  ixpk= 196, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1551,1552,1553,
 &end
#
#  29 GLU- HB2    96 ILE  QG2     4.00             (#peak 1661 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1661, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1544,1545,1546,
 &end
#
#  29 GLU- HB2    97 ILE  HB      4.24             (#peak 424 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 424, nxpk= 0, iat= 398,1561, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  29 GLU- HB2    97 ILE  QD1     3.67             (#peak 150 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 150, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1570,1571,1572,
 &end
#
#  29 GLU- HB2    99 ILE  QD1     4.35             (#peak 180 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 180, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1601,1602,1603,
 &end
#
#  29 GLU- HB3    29 GLU- HG2     2.97             (#peak 496 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 496, nxpk= 0, iat= 399, 401, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  29 GLU- HB3    29 GLU- HG3     2.97             (#peak 502 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 502, nxpk= 0, iat= 399, 402, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  29 GLU- HB3    30 TYR  HN      3.82             (#peak 382 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 382, nxpk= 0, iat= 399, 409, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  29 GLU- HB3    30 TYR  QD      4.56             (#peak 1928 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1928, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 417, 426,
 &end
#
#  29 GLU- HB3    96 ILE  HA      4.75             (#peak 1931 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1931, nxpk= 0, iat= 399,1540, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  29 GLU- HB3    96 ILE  QD1     4.12             (#peak 195 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 195, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1551,1552,1553,
 &end
#
#  29 GLU- HB3    96 ILE  QG2     3.83             (#peak 1660 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1660, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1544,1545,1546,
 &end
#
#  29 GLU- HB3    97 ILE  HB      4.30             (#peak 421 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 421, nxpk= 0, iat= 399,1561, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  29 GLU- HB3    97 ILE  HG13    4.55             (#peak 2300 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2300, nxpk= 0, iat= 399,1568, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  29 GLU- HB3    97 ILE  QD1     3.37             (#peak 149 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 149, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1570,1571,1572,
 &end
#
#  29 GLU- HB3    97 ILE  QG2     3.93             (#peak 1681 #SUP 1.00)
 &rst
  ixpk= 1681, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1563,1564,1565,
 &end
#
#  29 GLU- HB3    99 ILE  QD1     4.53             (#peak 179 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 179, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1601,1602,1603,
 &end
#
#  29 GLU- HG2    30 TYR  HN      4.09             (#peak 494 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 494, nxpk= 0, iat= 401, 409, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  29 GLU- HG2    97 ILE  QD1     4.12             (#peak 492 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 492, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1570,1571,1572,
 &end
#
#  29 GLU- HG2    97 ILE  QG2     5.00             (#peak 498 #SUP 0.83 #QF 0.46)
 &rst
  ixpk= 498, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1563,1564,1565,
 &end
#
#  29 GLU- HG2    99 ILE  QD1     4.24             (#peak 177 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 177, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1601,1602,1603,
 &end
#
#  29 GLU- HG3    30 TYR  HN      4.09             (#peak 501 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 501, nxpk= 0, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  29 GLU- HG3    97 ILE  QD1     4.12             (#peak 148 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 148, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1570,1571,1572,
 &end
#
#  29 GLU- HG3    97 ILE  QG2     5.00             (#peak 500 #SUP 0.96 #QF 0.89)
 &rst
  ixpk= 500, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1563,1564,1565,
 &end
#
#  29 GLU- HG3    99 ILE  QD1     4.24             (#peak 178 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 178, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1601,1602,1603,
 &end
#
#  29 GLU- HN     29 GLU- HB2     3.31             (#peak 277 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 277, nxpk= 0, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  29 GLU- HN     29 GLU- HB3     3.35             (#peak 276 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 276, nxpk= 0, iat= 394, 399, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  29 GLU- HN     29 GLU- QG      4.46             (#peak 493)
 &rst
  ixpk= 493, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 401, 402,
 &end
#
#  29 GLU- HN     30 TYR  QD      5.09             (#peak 275 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 275, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 417, 426,
 &end
#
#  29 GLU- HN     96 ILE  QD1     4.48             (#peak 186 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 186, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1551,1552,1553,
 &end
#
#  29 GLU- HN     96 ILE  QG2     3.33             (#peak 1651 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1651, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1544,1545,1546,
 &end
#
#  29 GLU- HN     97 ILE  HN      5.05             (#peak 57 #SUP 1.00 #QF 0.92)
 &rst
  ixpk= 57, nxpk= 0, iat= 394,1557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  29 GLU- QG     30 TYR  QD      4.54             (#peak 1932)
 &rst
  ixpk= 1932, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 401, 402,
 igr2= 417, 426,
 &end
#
#  29 GLU- QG     97 ILE  QD1     3.48             (#peak 148)
 &rst
  ixpk= 148, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 401, 402,
 igr2=1570,1571,1572,
 &end
#
#  29 GLU- QG     97 ILE  QG2     4.37             (#peak 498)
 &rst
  ixpk= 498, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 401, 402,
 igr2=1563,1564,1565,
 &end
#
#  30 TYR  HA     30 TYR  QD      4.41             (#peak 2044 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 2044, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 417, 426,
 &end
#
#  30 TYR  HA     31 ALA  QB      3.97             (#peak 1362 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1362, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 434, 435, 436,
 &end
#
#  30 TYR  HA     96 ILE  HA      3.93             (#peak 894 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 894, nxpk= 0, iat= 411,1540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  30 TYR  HA     96 ILE  HB      5.32             (#peak 2258 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2258, nxpk= 0, iat= 411,1542, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  30 TYR  HA     96 ILE  HG12    4.71             (#peak 2297 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2297, nxpk= 0, iat= 411,1548, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  30 TYR  HA     96 ILE  QD1     3.89             (#peak 189 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 189, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1551,1552,1553,
 &end
#
#  30 TYR  HA     96 ILE  QG2     3.75             (#peak 1654 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1654, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1544,1545,1546,
 &end
#
#  30 TYR  HA     97 ILE  HN      4.53             (#peak 2041 #SUP 0.51 #QF 0.51)
 &rst
  ixpk= 2041, nxpk= 0, iat= 411,1557, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  30 TYR  HA     97 ILE  QD1     4.08             (#peak 143 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 143, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1570,1571,1572,
 &end
#
#  30 TYR  HB2    31 ALA  HN      4.20             (#peak 85 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 85, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  30 TYR  HB3    31 ALA  HN      4.25             (#peak 84 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 84, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  30 TYR  HB3    96 ILE  HA      4.53             (#peak 361 #SUP 0.48 #QF 0.48)
 &rst
  ixpk= 361, nxpk= 0, iat= 414,1540, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  30 TYR  HB3    96 ILE  QD1     4.05             (#peak 192 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 192, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1551,1552,1553,
 &end
#
#  30 TYR  HB3    96 ILE  QG2     4.58             (#peak 1658 #SUP 1.00)
 &rst
  ixpk= 1658, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1544,1545,1546,
 &end
#
#  30 TYR  HB3    97 ILE  QD1     4.83             (#peak 2238 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2238, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1570,1571,1572,
 &end
#
#  30 TYR  HN     30 TYR  HB2     4.17             (#peak 370 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 370, nxpk= 0, iat= 409, 413, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  30 TYR  HN     30 TYR  QD      3.62             (#peak 367 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 367, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 417, 426,
 &end
#
#  30 TYR  HN     30 TYR  QE      4.73             (#peak 1917 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1917, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 419, 424,
 &end
#
#  30 TYR  HN     31 ALA  HN      4.50             (#peak 366 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 366, nxpk= 0, iat= 409, 430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 TYR  HN     97 ILE  QD1     4.73             (#peak 653 #SUP 0.99 #QF 0.91)
 &rst
  ixpk= 653, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1570,1571,1572,
 &end
#
#  30 TYR  QD     31 ALA  HA      4.77             (#peak 1907 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1907, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 417, 426,
 &end
#
#  30 TYR  QD     31 ALA  HN      4.14             (#peak 82 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 82, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 417, 426,
 &end
#
#  30 TYR  QD     32 TRP  HD1     4.02             (#peak 38 #SUP 0.75 #QF 0.67)
 &rst
  ixpk= 38, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 417, 426,
 &end
#
#  30 TYR  QD     32 TRP  HE1     4.50             (#peak 644 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 644, nxpk= 0, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 417, 426,
 &end
#
#  30 TYR  QD     32 TRP  HN      4.96             (#peak 640 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 640, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 417, 426,
 &end
#
#  30 TYR  QD     48 SER  QB      5.34             (#peak 2283)
 &rst
  ixpk= 2283, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 417, 426,
 igr2= 728, 729,
 &end
#
#  30 TYR  QD     96 ILE  HA      5.50             (#peak 2242 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2242, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 417, 426,
 &end
#
#  30 TYR  QE     32 TRP  HD1     4.65             (#peak 74 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 74, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 419, 424,
 &end
#
#  30 TYR  QE     52 GLU- HG2     5.42             (#peak 1919 #SUP 0.75 #QF 0.50)
 &rst
  ixpk= 1919, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 419, 424,
 &end
#
#  30 TYR  QE     52 GLU- HG3     5.42             (#peak 1919 #SUP 0.75 #QF 0.50)
 &rst
  ixpk= 1919, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 419, 424,
 &end
#
#  30 TYR  QE     52 GLU- QB      4.56             (#peak 1921)
 &rst
  ixpk= 1921, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 419, 424,
 igr2= 797, 798,
 &end
#
#  30 TYR  QE     52 GLU- QG      4.65             (#peak 1919)
 &rst
  ixpk= 1919, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 419, 424,
 igr2= 800, 801,
 &end
#
#  31 ALA  HA     32 TRP  HD1     4.57             (#peak 1908 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1908, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  31 ALA  HA     32 TRP  HN      3.57             (#peak 1573 #SUP 1.00)
 &rst
  ixpk= 1573, nxpk= 0, iat= 432, 440, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  31 ALA  HA     42 GLN  QG      4.60             (#peak 1906)
 &rst
  ixpk= 1906, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 628, 629,
 &end
#
#  31 ALA  HA     97 ILE  QD1     4.12             (#peak 144 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 144, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1570,1571,1572,
 &end
#
#  31 ALA  HN     31 ALA  QB      3.38             (#peak 1356 #SUP 1.00)
 &rst
  ixpk= 1356, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 434, 435, 436,
 &end
#
#  31 ALA  HN     32 TRP  HN      4.82             (#peak 651 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 651, nxpk= 0, iat= 430, 440, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  31 ALA  HN     33 TYR  QE      4.99             (#peak 1858 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1858, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 474, 479,
 &end
#
#  31 ALA  HN     94 ARG+ HA      4.65             (#peak 647 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 647, nxpk= 0, iat= 430,1504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  31 ALA  HN     95 ASP- HN      4.34             (#peak 81 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 81, nxpk= 0, iat= 430,1526, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  31 ALA  HN     96 ILE  HA      4.34             (#peak 748 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 748, nxpk= 0, iat= 430,1540, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  31 ALA  HN     96 ILE  QD1     4.19             (#peak 184 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 184, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1551,1552,1553,
 &end
#
#  31 ALA  HN     96 ILE  QG2     5.19             (#peak 1649 #SUP 1.00)
 &rst
  ixpk= 1649, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1544,1545,1546,
 &end
#
#  31 ALA  HN     97 ILE  HN      4.70             (#peak 728 #SUP 1.00)
 &rst
  ixpk= 728, nxpk= 0, iat= 430,1557, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 ALA  HN     97 ILE  QD1     4.03             (#peak 136 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 136, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1570,1571,1572,
 &end
#
#  31 ALA  QB     32 TRP  HD1     4.97             (#peak 1883 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1883, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     32 TRP  HN      3.18             (#peak 1357 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 1357, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     33 TYR  QD      4.36             (#peak 1842 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1842, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 434, 435, 436,
 igr2= 472, 481,
 &end
#
#  31 ALA  QB     33 TYR  QE      3.21             (#peak 1361 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1361, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 434, 435, 436,
 igr2= 474, 479,
 &end
#
#  31 ALA  QB     42 GLN  HA      4.49             (#peak 1364 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     42 GLN  HE21    3.69             (#peak 2376 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2376, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     42 GLN  HE22    3.69             (#peak 1359 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1359, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     42 GLN  HG2     3.91             (#peak 2375 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2375, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     42 GLN  HG3     3.91             (#peak 2374 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2374, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     42 GLN  QB      4.44             (#peak 1366)
 &rst
  ixpk= 1366, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 434, 435, 436,
 igr2= 625, 626,
 &end
#
#  31 ALA  QB     42 GLN  QG      3.39             (#peak 2374)
 &rst
  ixpk= 2374, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 434, 435, 436,
 igr2= 628, 629,
 &end
#
#  31 ALA  QB     95 ASP- HB2     4.36             (#peak 2234 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2234, nxpk= 0, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     95 ASP- HB3     3.99             (#peak 1365 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1531, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     95 ASP- HN      4.25             (#peak 2377 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2377, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     96 ILE  HA      4.26             (#peak 1355 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 1355, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     97 ILE  HB      4.80             (#peak 1367 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1367, nxpk= 0, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     97 ILE  HN      4.22             (#peak 1358 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1358, nxpk= 0, iat=  -1,1557, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 434, 435, 436,
 &end
#
#  31 ALA  QB     97 ILE  QD1     2.78             (#peak 154 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 154, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 434, 435, 436,
 igr2=1570,1571,1572,
 &end
#
#  32 TRP  HA     33 TYR  QD      4.63             (#peak 1870 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1870, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 472, 481,
 &end
#
#  32 TRP  HA     43 TYR  QD      4.56             (#peak 1871 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1871, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 646, 655,
 &end
#
#  32 TRP  HA     51 LEU  QD1     5.18             (#peak 1866 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1866, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 783, 784, 785,
 &end
#
#  32 TRP  HA     94 ARG+ HA      4.41             (#peak 1869 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1869, nxpk= 0, iat= 442,1504, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  32 TRP  HA     95 ASP- HN      4.56             (#peak 1873 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1873, nxpk= 0, iat= 442,1526, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  32 TRP  HB2    43 TYR  QD      4.66             (#peak 1719 #SUP 1.00)
 &rst
  ixpk= 1719, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 646, 655,
 &end
#
#  32 TRP  HB2    51 LEU  QD1     4.01             (#peak 1265 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1265, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 783, 784, 785,
 &end
#
#  32 TRP  HB3    43 TYR  QD      4.66             (#peak 1880 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1880, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 646, 655,
 &end
#
#  32 TRP  HB3    51 LEU  QD1     4.01             (#peak 1266 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1266, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 783, 784, 785,
 &end
#
#  32 TRP  HD1    48 SER  HA      4.82             (#peak 1885 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1885, nxpk= 0, iat= 448, 726, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  32 TRP  HD1    48 SER  QB      4.74             (#peak 1694)
 &rst
  ixpk= 1694, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 728, 729,
 &end
#
#  32 TRP  HD1    51 LEU  QD1     5.01             (#peak 1882 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1882, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 783, 784, 785,
 &end
#
#  32 TRP  HD1    52 GLU- HN      4.62             (#peak 814 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 814, nxpk= 0, iat= 448, 793, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  32 TRP  HE1    52 GLU- HA      4.24             (#peak 1070 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1070, nxpk= 0, iat= 450, 795, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  32 TRP  HE1    52 GLU- HB2     4.66             (#peak 6 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 6, nxpk= 0, iat= 450, 797, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  32 TRP  HE1    52 GLU- HB3     4.66             (#peak 643 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 643, nxpk= 0, iat= 450, 798, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  32 TRP  HE1    52 GLU- HG2     5.50             (#peak 807 #SUP 0.78 #QF 0.56)
 &rst
  ixpk= 807, nxpk= 0, iat= 450, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 TRP  HE1    52 GLU- HG3     5.50             (#peak 807 #SUP 0.78 #QF 0.56)
 &rst
  ixpk= 807, nxpk= 0, iat= 450, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 TRP  HE1    52 GLU- HN      4.57             (#peak 658 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 658, nxpk= 0, iat= 450, 793, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  32 TRP  HE1    52 GLU- QB      4.02             (#peak 6)
 &rst
  ixpk= 6, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 797, 798,
 &end
#
#  32 TRP  HE1    52 GLU- QG      4.64             (#peak 807)
 &rst
  ixpk= 807, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 800, 801,
 &end
#
#  32 TRP  HE3    43 TYR  QD      4.33             (#peak 10 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 10, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 646, 655,
 &end
#
#  32 TRP  HE3    51 LEU  QD1     3.97             (#peak 1263 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1263, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 783, 784, 785,
 &end
#
#  32 TRP  HE3    51 LEU  QD2     5.32             (#peak 1951 #SUP 0.98 #QF 0.69)
 &rst
  ixpk= 1951, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 787, 788, 789,
 &end
#
#  32 TRP  HE3    73 ALA  QB      5.12             (#peak 57 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 57, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1129,1130,1131,
 &end
#
#  32 TRP  HE3    92 ILE  HB      4.74             (#peak 2181 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2181, nxpk= 0, iat= 459,1465, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  32 TRP  HE3    92 ILE  QG2     4.23             (#peak 56 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 56, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1467,1468,1469,
 &end
#
#  32 TRP  HE3    93 LYS+ HN      4.56             (#peak 54 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 54, nxpk= 0, iat= 459,1480, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  32 TRP  HE3    94 ARG+ HG2     4.95             (#peak 2229 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 2229, nxpk= 0, iat= 459,1509, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  32 TRP  HE3    94 ARG+ HG3     4.95             (#peak 2232 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 2232, nxpk= 0, iat= 459,1510, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  32 TRP  HH2    55 PHE  QB      5.34             (#peak 2589)
 &rst
  ixpk= 2589, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 834, 835,
 &end
#
#  32 TRP  HH2    55 PHE  QD      4.90             (#peak 2535 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2535, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 838, 846,
 &end
#
#  32 TRP  HH2    75 LEU  QD1     4.09             (#peak 1153 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1153, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1156,1157,1158,
 &end
#
#  32 TRP  HH2    75 LEU  QD2     4.09             (#peak 1319 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 1319, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1160,1161,1162,
 &end
#
#  32 TRP  HH2    75 LEU  QQD     3.20             (#peak 1319)
 &rst
  ixpk= 1319, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  32 TRP  HH2    78 MET  QE      2.79             (#peak 1638 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 1638, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr2=1206,1207,1208,
 &end
#
#  32 TRP  HN     32 TRP  HD1     4.57             (#peak 1887 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1887, nxpk= 0, iat= 440, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  32 TRP  HN     43 TYR  QB      5.03             (#peak 272)
 &rst
  ixpk= 272, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 642, 643,
 &end
#
#  32 TRP  HN     43 TYR  QD      4.57             (#peak 641 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 641, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 646, 655,
 &end
#
#  32 TRP  HN     48 SER  QB      4.17             (#peak 679)
 &rst
  ixpk= 679, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 728, 729,
 &end
#
#  32 TRP  HZ2    52 GLU- HA      4.54             (#peak 1957 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1957, nxpk= 0, iat= 453, 795, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  32 TRP  HZ2    55 PHE  HN      5.06             (#peak 1894 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1894, nxpk= 0, iat= 453, 830, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  32 TRP  HZ2    55 PHE  QB      4.74             (#peak 1890)
 &rst
  ixpk= 1890, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 834, 835,
 &end
#
#  32 TRP  HZ2    55 PHE  QD      4.46             (#peak 20 #SUP 0.96 #QF 0.63)
 &rst
  ixpk= 20, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 838, 846,
 &end
#
#  32 TRP  HZ2    75 LEU  HG      5.27             (#peak 2440 #SUP 0.99 #QF 0.34)
 &rst
  ixpk= 2440, nxpk= 0, iat= 453,1154, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  32 TRP  HZ2    75 LEU  QD1     4.75             (#peak 1170 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1170, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1156,1157,1158,
 &end
#
#  32 TRP  HZ2    75 LEU  QD2     4.75             (#peak 1888 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1888, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1160,1161,1162,
 &end
#
#  32 TRP  HZ2    94 ARG+ QD      5.13             (#peak 1889)
 &rst
  ixpk= 1889, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1512,1513,
 &end
#
#  32 TRP  HZ3    51 LEU  QD1     4.94             (#peak 1899 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1899, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 783, 784, 785,
 &end
#
#  32 TRP  HZ3    51 LEU  QD2     5.34             (#peak 2596 #SUP 0.93 #QF 0.74)
 &rst
  ixpk= 2596, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 787, 788, 789,
 &end
#
#  32 TRP  HZ3    75 LEU  QQD     3.50             (#peak 2627)
 &rst
  ixpk= 2627, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  32 TRP  HZ3    78 MET  QE      2.84             (#peak 1637 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1637, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1206,1207,1208,
 &end
#
#  32 TRP  HZ3    92 ILE  QD1     3.88             (#peak 112 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 112, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1474,1475,1476,
 &end
#
#  32 TRP  HZ3    92 ILE  QG2     5.17             (#peak 1901 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1901, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1467,1468,1469,
 &end
#
#  32 TRP  QB     48 SER  QB      4.46             (#peak 2282)
 &rst
  ixpk= 2282, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 444, 445,
 igr2= 728, 729,
 &end
#
#  32 TRP  QB     51 LEU  QD1     3.36             (#peak 1265)
 &rst
  ixpk= 1265, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 444, 445,
 igr2= 783, 784, 785,
 &end
#
#  33 TYR  HA     33 TYR  QD      4.64             (#peak 1836 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1836, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 472, 481,
 &end
#
#  33 TYR  HA     41 TRP  HN      4.91             (#peak 583 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 583, nxpk= 0, iat= 466, 597, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  33 TYR  HA     42 GLN  HA      4.45             (#peak 1835 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1835, nxpk= 0, iat= 466, 623, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  33 TYR  HA     42 GLN  HG2     5.05             (#peak 1833 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1833, nxpk= 0, iat= 466, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  33 TYR  HA     42 GLN  HG3     5.05             (#peak 1831 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1831, nxpk= 0, iat= 466, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  33 TYR  HA     42 GLN  HN      4.85             (#peak 571 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 571, nxpk= 0, iat= 466, 621, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  33 TYR  HA     42 GLN  QG      4.42             (#peak 1831)
 &rst
  ixpk= 1831, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 628, 629,
 &end
#
#  33 TYR  HA     43 TYR  HN      4.60             (#peak 566 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 566, nxpk= 0, iat= 466, 638, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 TYR  HB2    34 TYR  HN      4.60             (#peak 442 #SUP 1.00 #QF 0.93)
 &rst
  ixpk= 442, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 TYR  HB2    40 TRP  HE3     5.15             (#peak 2370 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2370, nxpk= 0, iat= 468, 592, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  33 TYR  HB3    34 TYR  HN      4.60             (#peak 625 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 625, nxpk= 0, iat= 469, 485, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 TYR  HB3    40 TRP  HE3     5.15             (#peak 1784 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1784, nxpk= 0, iat= 469, 592, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  33 TYR  HN     33 TYR  QD      4.16             (#peak 245 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 245, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 472, 481,
 &end
#
#  33 TYR  HN     33 TYR  QE      5.31             (#peak 1860 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1860, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 474, 479,
 &end
#
#  33 TYR  HN     43 TYR  QD      4.57             (#peak 637 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 637, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 646, 655,
 &end
#
#  33 TYR  HN     93 LYS+ HN      4.33             (#peak 244 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 244, nxpk= 0, iat= 464,1480, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  33 TYR  HN     94 ARG+ HA      4.84             (#peak 633 #SUP 0.97 #QF 0.45)
 &rst
  ixpk= 633, nxpk= 0, iat= 464,1504, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  33 TYR  QB     34 TYR  HN      4.02             (#peak 442)
 &rst
  ixpk= 442, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     40 TRP  HE3     4.51             (#peak 1784)
 &rst
  ixpk= 1784, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     93 LYS+ HE2     4.51             (#peak 2203)
 &rst
  ixpk= 2203, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     93 LYS+ HE3     4.28             (#peak 2200)
 &rst
  ixpk= 2200, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     93 LYS+ HG2     4.69             (#peak 2193)
 &rst
  ixpk= 2193, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     93 LYS+ HG3     4.64             (#peak 2195)
 &rst
  ixpk= 2195, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     93 LYS+ HN      4.72             (#peak 775)
 &rst
  ixpk= 775, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 468, 469,
 &end
#
#  33 TYR  QB     93 LYS+ QD      4.27             (#peak 2587)
 &rst
  ixpk= 2587, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 468, 469,
 igr2=1490,1491,
 &end
#
#  33 TYR  QD     34 TYR  HN      4.45             (#peak 630 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 630, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     40 TRP  HE3     4.88             (#peak 1851 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1851, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     40 TRP  HN      5.50             (#peak 597 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 597, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     40 TRP  QB      4.83             (#peak 1845)
 &rst
  ixpk= 1845, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 472, 481,
 igr2= 577, 578,
 &end
#
#  33 TYR  QD     41 TRP  HA      5.27             (#peak 1848 #SUP 0.99 #QF 0.74)
 &rst
  ixpk= 1848, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     42 GLN  HA      4.77             (#peak 1847 #SUP 0.99 #QF 0.94)
 &rst
  ixpk= 1847, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     42 GLN  HN      5.28             (#peak 1852 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1852, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     42 GLN  QB      4.52             (#peak 1843)
 &rst
  ixpk= 1843, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 472, 481,
 igr2= 625, 626,
 &end
#
#  33 TYR  QD     42 GLN  QG      5.34             (#peak 1844)
 &rst
  ixpk= 1844, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 472, 481,
 igr2= 628, 629,
 &end
#
#  33 TYR  QD     93 LYS+ HE2     4.72             (#peak 2205 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2205, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     93 LYS+ HG2     4.81             (#peak 2190 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 2190, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     93 LYS+ HG3     4.63             (#peak 2196 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2196, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     93 LYS+ HN      5.20             (#peak 778 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 778, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     94 ARG+ HA      5.07             (#peak 2213 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2213, nxpk= 0, iat=  -1,1504, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 472, 481,
 &end
#
#  33 TYR  QD     95 ASP- HN      4.67             (#peak 1853 #SUP 0.99 #QF 0.97)
 &rst
  ixpk= 1853, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 472, 481,
 &end
#
#  33 TYR  QE     42 GLN  HA      4.74             (#peak 1857 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1857, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     42 GLN  HB2     4.77             (#peak 1733 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1733, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     42 GLN  HB3     4.77             (#peak 1865 #SUP 1.00)
 &rst
  ixpk= 1865, nxpk= 0, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     42 GLN  HG2     5.08             (#peak 1864 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1864, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     42 GLN  HG3     5.08             (#peak 2545 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2545, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     42 GLN  QB      4.08             (#peak 1865)
 &rst
  ixpk= 1865, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 474, 479,
 igr2= 625, 626,
 &end
#
#  33 TYR  QE     93 LYS+ HE3     5.11             (#peak 2201 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2201, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     93 LYS+ HG3     5.50             (#peak 2518 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 2518, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     95 ASP- HB2     4.09             (#peak 171 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 171, nxpk= 0, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     95 ASP- HB3     3.89             (#peak 165 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 165, nxpk= 0, iat=  -1,1531, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     95 ASP- HN      4.51             (#peak 1859 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1859, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 474, 479,
 &end
#
#  33 TYR  QE     97 ILE  QD1     4.25             (#peak 142 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 142, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 474, 479,
 igr2=1570,1571,1572,
 &end
#
#  34 TYR  HA     35 GLU- QG      4.85             (#peak 1821)
 &rst
  ixpk= 1821, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 513, 514,
 &end
#
#  34 TYR  HA     40 TRP  HZ3     4.79             (#peak 1825 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 1825, nxpk= 0, iat= 487, 590, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  34 TYR  HA     92 ILE  HA      4.65             (#peak 2515 #SUP 0.95 #QF 0.54)
 &rst
  ixpk= 2515, nxpk= 0, iat= 487,1463, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  34 TYR  HA     92 ILE  HB      5.14             (#peak 1822 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1822, nxpk= 0, iat= 487,1465, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  34 TYR  HA     92 ILE  HG13    5.50             (#peak 2482 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2482, nxpk= 0, iat= 487,1472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  34 TYR  HA     92 ILE  QG2     4.03             (#peak 1537 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1537, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1467,1468,1469,
 &end
#
#  34 TYR  HA     93 LYS+ HN      4.71             (#peak 776 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 776, nxpk= 0, iat= 487,1480, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  34 TYR  HB2    35 GLU- HN      4.77             (#peak 620 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 620, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  34 TYR  HB2    92 ILE  QG2     4.47             (#peak 1538 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1538, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1467,1468,1469,
 &end
#
#  34 TYR  HB3    35 GLU- HN      4.77             (#peak 619 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 619, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  34 TYR  HB3    92 ILE  QG2     4.47             (#peak 1829 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1829, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1467,1468,1469,
 &end
#
#  34 TYR  HN     34 TYR  QD      4.45             (#peak 629 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 629, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 493, 502,
 &end
#
#  34 TYR  HN     40 TRP  HA      5.17             (#peak 628 #SUP 0.98 #QF 0.83)
 &rst
  ixpk= 628, nxpk= 0, iat= 485, 575, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  34 TYR  HN     40 TRP  HE3     4.93             (#peak 631 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 631, nxpk= 0, iat= 485, 592, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  34 TYR  HN     40 TRP  QB      5.13             (#peak 626)
 &rst
  ixpk= 626, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 577, 578,
 &end
#
#  34 TYR  HN     41 TRP  HB2     5.50             (#peak 626 #SUP 0.97 #QF 0.87)
 &rst
  ixpk= 626, nxpk= 0, iat= 485, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  34 TYR  HN     41 TRP  HN      4.33             (#peak 441 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 441, nxpk= 0, iat= 485, 597, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  34 TYR  HN     42 GLN  HA      4.93             (#peak 627 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 627, nxpk= 0, iat= 485, 623, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  34 TYR  HN     43 TYR  HN      5.07             (#peak 632 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 632, nxpk= 0, iat= 485, 638, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  34 TYR  QB     43 TYR  QE      4.42             (#peak 1920)
 &rst
  ixpk= 1920, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 489, 490,
 igr2= 648, 653,
 &end
#
#  34 TYR  QB     92 ILE  QG2     3.88             (#peak 1538)
 &rst
  ixpk= 1538, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 489, 490,
 igr2=1467,1468,1469,
 &end
#
#  34 TYR  QE    111 ATP  H2      6.00 
 &rst
  ixpk= 1538, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 495, 500,
 &end
#
#  34 TYR  QE     41 TRP  HB3     4.89             (#peak 2286 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 2286, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 495, 500,
 &end
#
#  34 TYR  QE     41 TRP  HD1     4.65             (#peak 1753 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 1753, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 495, 500,
 &end
#
#  34 TYR  QE     43 TYR  QE      5.50             (#peak 2517 #SUP 0.77 #QF 0.59)
 &rst
  ixpk= 2517, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 495, 500,
 igr2= 648, 653,
 &end
#
#  35 GLU- HA     35 GLU- HG2     4.25             (#peak 1180 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 1180, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  35 GLU- HA     35 GLU- HG3     4.25             (#peak 530 #SUP 1.00)
 &rst
  ixpk= 530, nxpk= 0, iat= 508, 514, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  35 GLU- HA     35 GLU- QG      3.65             (#peak 1180)
 &rst
  ixpk= 1180, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 513, 514,
 &end
#
#  35 GLU- HA     40 TRP  HA      4.42             (#peak 1806 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1806, nxpk= 0, iat= 508, 575, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  35 GLU- HA     40 TRP  HE3     4.89             (#peak 1807 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1807, nxpk= 0, iat= 508, 592, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  35 GLU- HA     41 TRP  HN      4.55             (#peak 1809 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1809, nxpk= 0, iat= 508, 597, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  35 GLU- HG2    40 TRP  HZ2     4.76             (#peak 86 #SUP 0.98 #QF 0.93)
 &rst
  ixpk= 86, nxpk= 0, iat= 513, 586, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  35 GLU- HG3    40 TRP  HZ2     4.76             (#peak 1771 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1771, nxpk= 0, iat= 514, 586, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  35 GLU- HN     35 GLU- HG2     4.96             (#peak 1816 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1816, nxpk= 0, iat= 506, 513, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  35 GLU- HN     35 GLU- HG3     4.96             (#peak 617 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 617, nxpk= 0, iat= 506, 514, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  35 GLU- HN     35 GLU- QB      3.58             (#peak 124)
 &rst
  ixpk= 124, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 510, 511,
 &end
#
#  35 GLU- HN     35 GLU- QG      4.31             (#peak 1816)
 &rst
  ixpk= 1816, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 513, 514,
 &end
#
#  35 GLU- HN     40 TRP  HZ3     4.60             (#peak 623 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 623, nxpk= 0, iat= 506, 590, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  35 GLU- HN     91 LYS+ HN      4.67             (#peak 624 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 624, nxpk= 0, iat= 506,1439, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  35 GLU- HN     92 ILE  HA      4.80             (#peak 622 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 622, nxpk= 0, iat= 506,1463, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  35 GLU- HN     92 ILE  QG2     4.02             (#peak 1542 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1542, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1467,1468,1469,
 &end
#
#  35 GLU- QB     36 GLY  HA2     5.34             (#peak 2365)
 &rst
  ixpk= 2365, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 510, 511,
 &end
#
#  35 GLU- QB     91 LYS+ HN      3.59             (#peak 144)
 &rst
  ixpk= 144, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 510, 511,
 &end
#
#  35 GLU- QG     36 GLY  HN      4.26             (#peak 1815)
 &rst
  ixpk= 1815, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 513, 514,
 &end
#
#  35 GLU- QG     40 TRP  HE1     4.39             (#peak 601)
 &rst
  ixpk= 601, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 513, 514,
 &end
#
#  35 GLU- QG     40 TRP  HZ2     4.02             (#peak 86)
 &rst
  ixpk= 86, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 513, 514,
 &end
#
#  35 GLU- QG     40 TRP  HZ3     5.16             (#peak 1777)
 &rst
  ixpk= 1777, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 513, 514,
 &end
#
#  35 GLU- QG     91 LYS+ HN      4.32             (#peak 1818)
 &rst
  ixpk= 1818, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 513, 514,
 &end
#
#  36 GLY  HA2    37 ARG+ QB      5.34             (#peak 2365)
 &rst
  ixpk= 2365, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 532, 533,
 &end
#
#  36 GLY  HA2    38 ASN  HN      4.95             (#peak 1800 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 1800, nxpk= 0, iat= 523, 552, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  36 GLY  HA2    41 TRP  HD1     4.61             (#peak 1752 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1752, nxpk= 0, iat= 523, 605, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  36 GLY  HA2    41 TRP  HE1     5.17             (#peak 2364 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2364, nxpk= 0, iat= 523, 607, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  36 GLY  HA3    41 TRP  HD1     4.34             (#peak 35 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 35, nxpk= 0, iat= 524, 605, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  36 GLY  HA3    41 TRP  HE1     4.35             (#peak 15 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 15, nxpk= 0, iat= 524, 607, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  36 GLY  HN     39 GLY  HN      4.39             (#peak 746 #SUP 0.35 #QF 0.35)
 &rst
  ixpk= 746, nxpk= 0, iat= 521, 566, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  36 GLY  HN     40 TRP  HA      4.18             (#peak 1237 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 1237, nxpk= 0, iat= 521, 575, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  36 GLY  HN     41 TRP  HD1     4.44             (#peak 1755 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1755, nxpk= 0, iat= 521, 605, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  36 GLY  HN     41 TRP  HE1     5.31             (#peak 594 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 594, nxpk= 0, iat= 521, 607, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  36 GLY  HN     41 TRP  HN      4.58             (#peak 615 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 615, nxpk= 0, iat= 521, 597, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  37 ARG+ HA     37 ARG+ HD2     5.43             (#peak 1073 #SUP 0.98 #QF 0.80)
 &rst
  ixpk= 1073, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  37 ARG+ HA     37 ARG+ HD3     5.43             (#peak 1073 #SUP 0.98 #QF 0.80)
 &rst
  ixpk= 1073, nxpk= 0, iat= 530, 539, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  37 ARG+ HA     37 ARG+ QD      4.64             (#peak 1073)
 &rst
  ixpk= 1073, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 538, 539,
 &end
#
#  37 ARG+ HA     38 ASN  HA      4.83             (#peak 1792 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1792, nxpk= 0, iat= 530, 554, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  37 ARG+ HA     39 GLY  HN      5.17             (#peak 1798 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1798, nxpk= 0, iat= 530, 566, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  37 ARG+ HB2    38 ASN  HN      4.25             (#peak 793 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 793, nxpk= 0, iat= 532, 552, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  37 ARG+ HB3    38 ASN  HN      4.25             (#peak 797 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 797, nxpk= 0, iat= 533, 552, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  37 ARG+ QB     37 ARG+ QD      3.26             (#peak 799)
 &rst
  ixpk= 799, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 532, 533,
 igr2= 538, 539,
 &end
#
#  37 ARG+ QB     38 ASN  HA      4.62             (#peak 1793)
 &rst
  ixpk= 1793, nxpk= 0, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 532, 533,
 &end
#
#  37 ARG+ QB     38 ASN  HN      3.73             (#peak 797)
 &rst
  ixpk= 797, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 532, 533,
 &end
#
#  37 ARG+ QB     39 GLY  HN      5.14             (#peak 602)
 &rst
  ixpk= 602, nxpk= 0, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 532, 533,
 &end
#
#  37 ARG+ QB     41 TRP  HD1     5.34             (#peak 1751)
 &rst
  ixpk= 1751, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 532, 533,
 &end
#
#  37 ARG+ QB     41 TRP  HE1     4.63             (#peak 589)
 &rst
  ixpk= 589, nxpk= 0, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 532, 533,
 &end
#
#  37 ARG+ QG     38 ASN  HN      4.16             (#peak 984)
 &rst
  ixpk= 984, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 535, 536,
 &end
#
#  38 ASN  HA     38 ASN  QD2     4.13             (#peak 610)
 &rst
  ixpk= 610, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 561, 562,
 &end
#
#  38 ASN  HA     39 GLY  HA2     5.39             (#peak 2361 #SUP 0.99 #QF 0.86)
 &rst
  ixpk= 2361, nxpk= 0, iat= 554, 568, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  38 ASN  HA     39 GLY  HA3     5.39             (#peak 2512 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2512, nxpk= 0, iat= 554, 569, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  38 ASN  HA     39 GLY  QA      4.54             (#peak 2512)
 &rst
  ixpk= 2512, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 568, 569,
 &end
#
#  38 ASN  HA     41 TRP  HE1     4.64             (#peak 592 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 592, nxpk= 0, iat= 554, 607, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  38 ASN  HB2    38 ASN  HD21    4.01             (#peak 497 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 497, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  38 ASN  HB2    38 ASN  HD22    4.01             (#peak 747 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 747, nxpk= 0, iat= 556, 562, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  38 ASN  HB2    39 GLY  HN      4.22             (#peak 547 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 547, nxpk= 0, iat= 556, 566, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  38 ASN  HB2    41 TRP  HZ2     5.10             (#peak 1759 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1759, nxpk= 0, iat= 556, 610, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  38 ASN  HB3    38 ASN  HD21    4.01             (#peak 498 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 498, nxpk= 0, iat= 557, 561, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  38 ASN  HB3    38 ASN  HD22    4.01             (#peak 499 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 499, nxpk= 0, iat= 557, 562, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  38 ASN  HB3    39 GLY  HN      4.22             (#peak 548 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 548, nxpk= 0, iat= 557, 566, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  38 ASN  HB3    41 TRP  HZ2     5.10             (#peak 1758 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1758, nxpk= 0, iat= 557, 610, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  38 ASN  HN     39 GLY  HN      3.74             (#peak 745 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 745, nxpk= 0, iat= 552, 566, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  38 ASN  HN     41 TRP  HE1     4.63             (#peak 593 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 593, nxpk= 0, iat= 552, 607, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  38 ASN  QB     38 ASN  QD2     2.91             (#peak 498)
 &rst
  ixpk= 498, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 556, 557,
 igr2= 561, 562,
 &end
#
#  38 ASN  QB     41 TRP  HE1     4.59             (#peak 588)
 &rst
  ixpk= 588, nxpk= 0, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 556, 557,
 &end
#
#  38 ASN  QB     41 TRP  HZ2     4.48             (#peak 1758)
 &rst
  ixpk= 1758, nxpk= 0, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 556, 557,
 &end
#
#  39 GLY  HA2    40 TRP  HA      5.50             (#peak 2361 #SUP 0.99 #QF 0.86)
 &rst
  ixpk= 2361, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 GLY  HA2    40 TRP  HD1     4.76             (#peak 2360 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2360, nxpk= 0, iat= 568, 581, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  39 GLY  HA2    40 TRP  HN      3.24             (#peak 318 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 318, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  39 GLY  HA3    40 TRP  HA      5.50             (#peak 1790 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 1790, nxpk= 0, iat= 569, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 GLY  HA3    40 TRP  HD1     4.76             (#peak 1789 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1789, nxpk= 0, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  39 GLY  HA3    40 TRP  HN      3.24             (#peak 315 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 315, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  39 GLY  HN     40 TRP  HN      4.42             (#peak 744 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 744, nxpk= 0, iat= 566, 573, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  39 GLY  HN     41 TRP  HE1     4.41             (#peak 13 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 13, nxpk= 0, iat= 566, 607, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  39 GLY  HN     41 TRP  HZ2     4.11             (#peak 87 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 87, nxpk= 0, iat= 566, 610, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  40 TRP  HA     40 TRP  HD1     5.08             (#peak 1767 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1767, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  40 TRP  HA     40 TRP  HE3     4.56             (#peak 2354 #SUP 0.99 #QF 0.81)
 &rst
  ixpk= 2354, nxpk= 0, iat= 575, 592, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  40 TRP  HA     41 TRP  HD1     5.29             (#peak 2355 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 2355, nxpk= 0, iat= 575, 605, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  40 TRP  HD1    93 LYS+ HE2     5.50             (#peak 2204 #SUP 0.98 #QF 0.51)
 &rst
  ixpk= 2204, nxpk= 0, iat= 581,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 TRP  HE1    93 LYS+ HE2     5.03             (#peak 598 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 598, nxpk= 0, iat= 583,1493, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  40 TRP  HE1    93 LYS+ QD      5.34             (#peak 599)
 &rst
  ixpk= 599, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1490,1491,
 &end
#
#  40 TRP  HE3    41 TRP  HN      5.11             (#peak 585 #SUP 0.97 #QF 0.76)
 &rst
  ixpk= 585, nxpk= 0, iat= 592, 597, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  40 TRP  HE3    93 LYS+ HE2     5.50             (#peak 2204 #SUP 0.98 #QF 0.51)
 &rst
  ixpk= 2204, nxpk= 0, iat= 592,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 TRP  HE3    93 LYS+ HE3     4.93             (#peak 2202 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 2202, nxpk= 0, iat= 592,1494, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  40 TRP  HE3    93 LYS+ HN      5.35             (#peak 1788 #SUP 0.94 #QF 0.71)
 &rst
  ixpk= 1788, nxpk= 0, iat= 592,1480, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  40 TRP  HH2    91 LYS+ HB2     4.45             (#peak 2462 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2462, nxpk= 0, iat= 588,1443, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  40 TRP  HH2    91 LYS+ HB3     4.45             (#peak 1776 #SUP 1.00 #QF 0.74)
 &rst
  ixpk= 1776, nxpk= 0, iat= 588,1444, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  40 TRP  HH2    91 LYS+ HE2     4.83             (#peak 322 #SUP 0.93 #QF 0.59)
 &rst
  ixpk= 322, nxpk= 0, iat= 588,1452, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  40 TRP  HH2    91 LYS+ HE3     4.83             (#peak 322 #SUP 0.93 #QF 0.59)
 &rst
  ixpk= 322, nxpk= 0, iat= 588,1453, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  40 TRP  HH2    91 LYS+ QB      3.77             (#peak 1776)
 &rst
  ixpk= 1776, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1443,1444,
 &end
#
#  40 TRP  HH2    91 LYS+ QD      4.08             (#peak 851)
 &rst
  ixpk= 851, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1449,1450,
 &end
#
#  40 TRP  HH2    91 LYS+ QE      4.23             (#peak 322)
 &rst
  ixpk= 322, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1452,1453,
 &end
#
#  40 TRP  HH2    91 LYS+ QG      4.35             (#peak 2643)
 &rst
  ixpk= 2643, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1446,1447,
 &end
#
#  40 TRP  HH2    92 ILE  HN      4.79             (#peak 715 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 715, nxpk= 0, iat= 588,1461, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  40 TRP  HN     40 TRP  HD1     3.51             (#peak 316 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 316, nxpk= 0, iat= 573, 581, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  40 TRP  HN     40 TRP  HE1     4.56             (#peak 8 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 8, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  40 TRP  HN     40 TRP  QB      3.32             (#peak 319)
 &rst
  ixpk= 319, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 577, 578,
 &end
#
#  40 TRP  HN     41 TRP  HN      4.61             (#peak 595 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 595, nxpk= 0, iat= 573, 597, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  40 TRP  HZ2    91 LYS+ HE2     5.50             (#peak 324 #SUP 0.94 #QF 0.62)
 &rst
  ixpk= 324, nxpk= 0, iat= 586,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 TRP  HZ2    91 LYS+ HE3     5.50             (#peak 324 #SUP 0.94 #QF 0.62)
 &rst
  ixpk= 324, nxpk= 0, iat= 586,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 TRP  HZ2    91 LYS+ QB      4.91             (#peak 1772)
 &rst
  ixpk= 1772, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1443,1444,
 &end
#
#  40 TRP  HZ2    93 LYS+ QD      4.72             (#peak 1769)
 &rst
  ixpk= 1769, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1490,1491,
 &end
#
#  40 TRP  HZ3    91 LYS+ HB2     5.05             (#peak 2461 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2461, nxpk= 0, iat= 590,1443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  40 TRP  HZ3    91 LYS+ HB3     5.05             (#peak 1777 #SUP 1.00 #QF 0.55)
 &rst
  ixpk= 1777, nxpk= 0, iat= 590,1444, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  40 TRP  HZ3    91 LYS+ QB      4.43             (#peak 2461)
 &rst
  ixpk= 2461, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1443,1444,
 &end
#
#  40 TRP  HZ3    92 ILE  HA      4.50             (#peak 2176 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2176, nxpk= 0, iat= 590,1463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 TRP  HZ3    93 LYS+ HN      4.54             (#peak 777 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 777, nxpk= 0, iat= 590,1480, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  40 TRP  QB     40 TRP  HE1     4.52             (#peak 11)
 &rst
  ixpk= 11, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 577, 578,
 &end
#
#  41 TRP  HA     41 TRP  HD1     4.77             (#peak 34 #SUP 1.00)
 &rst
  ixpk= 34, nxpk= 0, iat= 599, 605, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  41 TRP  HA     41 TRP  HZ3     4.41             (#peak 1763 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1763, nxpk= 0, iat= 599, 614, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  41 TRP  HA     42 GLN  HB2     5.08             (#peak 1746 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1746, nxpk= 0, iat= 599, 625, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  41 TRP  HA     42 GLN  HB3     5.08             (#peak 1747 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1747, nxpk= 0, iat= 599, 626, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  41 TRP  HA     42 GLN  QB      4.32             (#peak 1747)
 &rst
  ixpk= 1747, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 625, 626,
 &end
#
#  41 TRP  HB2    42 GLN  HN      4.24             (#peak 94 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 94, nxpk= 0, iat= 601, 621, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  41 TRP  HB3    41 TRP  HZ3     5.40             (#peak 1761 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1761, nxpk= 0, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  41 TRP  HB3    42 GLN  HN      4.46             (#peak 570 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 570, nxpk= 0, iat= 602, 621, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  41 TRP  HN     41 TRP  HB2     4.09             (#peak 76 #SUP 0.97 #QF 0.72)
 &rst
  ixpk= 76, nxpk= 0, iat= 597, 601, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  41 TRP  HN     41 TRP  HD1     4.42             (#peak 1756 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1756, nxpk= 0, iat= 597, 605, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  41 TRP  HN     41 TRP  HE3     5.50             (#peak 585 #SUP 0.97 #QF 0.76)
 &rst
  ixpk= 585, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  41 TRP  HN     42 GLN  HN      4.78             (#peak 574 #SUP 1.00)
 &rst
  ixpk= 574, nxpk= 0, iat= 597, 621, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  41 TRP  HZ3    42 GLN  HN      5.50             (#peak 1764 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1764, nxpk= 0, iat= 614, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 GLN  HE21   97 ILE  QD1     4.25             (#peak 141 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 141, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1570,1571,1572,
 &end
#
#  42 GLN  HE22   97 ILE  QD1     4.25             (#peak 140 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 140, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1570,1571,1572,
 &end
#
#  42 GLN  HG2    43 TYR  HN      4.51             (#peak 1740 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1740, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  42 GLN  HG3    43 TYR  HN      4.51             (#peak 33 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 33, nxpk= 0, iat= 629, 638, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  42 GLN  HN     42 GLN  HB2     3.91             (#peak 97 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 97, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  42 GLN  HN     42 GLN  HB3     3.91             (#peak 95 #SUP 1.00)
 &rst
  ixpk= 95, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  42 GLN  HN     42 GLN  HG2     4.82             (#peak 569 #SUP 1.00)
 &rst
  ixpk= 569, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  42 GLN  HN     42 GLN  HG3     4.82             (#peak 2349 #SUP 1.00)
 &rst
  ixpk= 2349, nxpk= 0, iat= 621, 629, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  42 GLN  HN     42 GLN  QB      3.35             (#peak 97)
 &rst
  ixpk= 97, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 625, 626,
 &end
#
#  42 GLN  HN     42 GLN  QG      4.12             (#peak 569)
 &rst
  ixpk= 569, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 628, 629,
 &end
#
#  42 GLN  QB     42 GLN  QE2     4.26             (#peak 2419)
 &rst
  ixpk= 2419, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 625, 626,
 igr2= 633, 634,
 &end
#
#  42 GLN  QE2    97 ILE  QD1     3.70             (#peak 141)
 &rst
  ixpk= 141, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 633, 634,
 igr2=1570,1571,1572,
 &end
#
#  42 GLN  QG     43 TYR  HN      3.95             (#peak 33)
 &rst
  ixpk= 33, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 628, 629,
 &end
#
#  43 TYR  HA     43 TYR  QD      4.39             (#peak 1712 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1712, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 646, 655,
 &end
#
#  43 TYR  HB2    48 SER  HN      4.71             (#peak 561 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 561, nxpk= 0, iat= 642, 724, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  43 TYR  HB3    48 SER  HN      4.71             (#peak 560 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 560, nxpk= 0, iat= 643, 724, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  43 TYR  HN     43 TYR  QD      4.44             (#peak 568 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 568, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 646, 655,
 &end
#
#  43 TYR  QB     47 THR  QG2     3.99             (#peak 1282)
 &rst
  ixpk= 1282, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 642, 643,
 igr2= 716, 717, 718,
 &end
#
#  43 TYR  QB     48 SER  HN      4.14             (#peak 561)
 &rst
  ixpk= 561, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 642, 643,
 &end
#
#  43 TYR  QB     48 SER  QB      5.18             (#peak 2281)
 &rst
  ixpk= 2281, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 642, 643,
 igr2= 728, 729,
 &end
#
#  43 TYR  QD     44 ASP- HN      4.46             (#peak 562 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 562, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 646, 655,
 &end
#
#  43 TYR  QD     47 THR  HB      4.65             (#peak 1697 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1697, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 646, 655,
 &end
#
#  43 TYR  QD     47 THR  QG2     3.54             (#peak 1277 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1277, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 646, 655,
 igr2= 716, 717, 718,
 &end
#
#  43 TYR  QD     51 LEU  QD1     3.59             (#peak 1262 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 646, 655,
 igr2= 783, 784, 785,
 &end
#
#  43 TYR  QD     51 LEU  QD2     5.50             (#peak 2596 #SUP 0.93 #QF 0.74)
 &rst
  ixpk= 2596, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 646, 655,
 igr2= 787, 788, 789,
 &end
#
#  43 TYR  QD     64 MET  QE      4.60             (#peak 1606 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1606, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 646, 655,
 igr2= 988, 989, 990,
 &end
#
#  43 TYR  QD     66 ILE  QG2     4.69             (#peak 204 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 204, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 646, 655,
 igr2=1019,1020,1021,
 &end
#
#  43 TYR  QE     47 THR  HB      5.50             (#peak 1918 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1918, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 648, 653,
 &end
#
#  43 TYR  QE     51 LEU  QD1     4.50             (#peak 1263 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1263, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 648, 653,
 igr2= 783, 784, 785,
 &end
#
#  43 TYR  QE     51 LEU  QD2     5.50             (#peak 1951 #SUP 0.98 #QF 0.69)
 &rst
  ixpk= 1951, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 648, 653,
 igr2= 787, 788, 789,
 &end
#
#  43 TYR  QE     92 ILE  QD1     3.82             (#peak 113 #SUP 0.24 #QF 0.24)
 &rst
  ixpk= 113, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 648, 653,
 igr2=1474,1475,1476,
 &end
#
#  43 TYR  QE     92 ILE  QG2     3.48             (#peak 1545 #SUP 0.21 #QF 0.21)
 &rst
  ixpk= 1545, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 648, 653,
 igr2=1467,1468,1469,
 &end
#
#  44 ASP- HA     45 GLU- HB3     4.76             (#peak 1701 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1701, nxpk= 0, iat= 661, 676, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  44 ASP- HA     45 GLU- HG2     4.55             (#peak 1705 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1705, nxpk= 0, iat= 661, 678, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  44 ASP- HA     45 GLU- HG3     5.37             (#peak 1706 #SUP 1.00)
 &rst
  ixpk= 1706, nxpk= 0, iat= 661, 679, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  44 ASP- HB2    45 GLU- HN      3.92             (#peak 148 #SUP 0.97 #QF 0.96)
 &rst
  ixpk= 148, nxpk= 0, iat= 663, 671, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 ASP- HB2    47 THR  HN      4.63             (#peak 406 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 406, nxpk= 0, iat= 663, 710, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  44 ASP- HB3    45 GLU- HN      3.92             (#peak 153 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 153, nxpk= 0, iat= 664, 671, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 ASP- HB3    47 THR  HN      4.63             (#peak 407 #SUP 0.98 #QF 0.97)
 &rst
  ixpk= 407, nxpk= 0, iat= 664, 710, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  44 ASP- HN     45 GLU- HN      5.27             (#peak 563 #SUP 1.00 #QF 0.58)
 &rst
  ixpk= 563, nxpk= 0, iat= 659, 671, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  44 ASP- HN     47 THR  HB      3.95             (#peak 414 #SUP 0.96 #QF 0.80)
 &rst
  ixpk= 414, nxpk= 0, iat= 659, 714, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  44 ASP- HN     47 THR  QG2     3.93             (#peak 1274 #SUP 0.96 #QF 0.22)
 &rst
  ixpk= 1274, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 716, 717, 718,
 &end
#
#  44 ASP- QB     45 GLU- HA      5.34             (#peak 2508)
 &rst
  ixpk= 2508, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 663, 664,
 &end
#
#  44 ASP- QB     46 ARG+ HN      4.05             (#peak 251)
 &rst
  ixpk= 251, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 663, 664,
 &end
#
#  44 ASP- QB     47 THR  QG2     4.35             (#peak 1281)
 &rst
  ixpk= 1281, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 663, 664,
 igr2= 716, 717, 718,
 &end
#
#  45 GLU- HA     45 GLU- HG2     3.91             (#peak 506 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 506, nxpk= 0, iat= 673, 678, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  45 GLU- HA     45 GLU- HG3     3.93             (#peak 882 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 882, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  45 GLU- HA     46 ARG+ QD      5.34             (#peak 2508)
 &rst
  ixpk= 2508, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 696, 697,
 &end
#
#  45 GLU- HA     48 SER  HN      4.59             (#peak 2506 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 2506, nxpk= 0, iat= 673, 724, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  45 GLU- HA     49 ARG+ HB3     4.44             (#peak 2507 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 2507, nxpk= 0, iat= 673, 740, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  45 GLU- HA     49 ARG+ HN      4.23             (#peak 340 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 340, nxpk= 0, iat= 673, 735, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  45 GLU- HB2    46 ARG+ HN      4.09             (#peak 253 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 253, nxpk= 0, iat= 675, 686, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  45 GLU- HB2    46 ARG+ QD      4.56             (#peak 1704)
 &rst
  ixpk= 1704, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 696, 697,
 &end
#
#  45 GLU- HB3    46 ARG+ HN      4.46             (#peak 803 #SUP 1.00)
 &rst
  ixpk= 803, nxpk= 0, iat= 676, 686, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  45 GLU- HB3    46 ARG+ QD      4.84             (#peak 1703)
 &rst
  ixpk= 1703, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 696, 697,
 &end
#
#  45 GLU- HG2    46 ARG+ QD      4.12             (#peak 507)
 &rst
  ixpk= 507, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 696, 697,
 &end
#
#  45 GLU- HG3    46 ARG+ HA      4.39             (#peak 2344 #SUP 1.00)
 &rst
  ixpk= 2344, nxpk= 0, iat= 679, 688, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  45 GLU- HG3    46 ARG+ HD2     4.31             (#peak 2345 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2345, nxpk= 0, iat= 679, 696, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  45 GLU- HG3    46 ARG+ HD3     4.31             (#peak 2504 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2504, nxpk= 0, iat= 679, 697, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  45 GLU- HG3    46 ARG+ HN      4.12             (#peak 509 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 509, nxpk= 0, iat= 679, 686, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  45 GLU- HG3    46 ARG+ QG      4.27             (#peak 522)
 &rst
  ixpk= 522, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 693, 694,
 &end
#
#  45 GLU- HN     45 GLU- HB2     3.77             (#peak 150 #SUP 1.00)
 &rst
  ixpk= 150, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  45 GLU- HN     45 GLU- HB3     3.74             (#peak 802 #SUP 1.00)
 &rst
  ixpk= 802, nxpk= 0, iat= 671, 676, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  45 GLU- HN     45 GLU- HG2     3.86             (#peak 505 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 505, nxpk= 0, iat= 671, 678, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  45 GLU- HN     45 GLU- HG3     3.89             (#peak 508 #SUP 1.00)
 &rst
  ixpk= 508, nxpk= 0, iat= 671, 679, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  45 GLU- HN     46 ARG+ HB2     5.18             (#peak 2501 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2501, nxpk= 0, iat= 671, 690, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  45 GLU- HN     46 ARG+ HN      3.79             (#peak 247 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 247, nxpk= 0, iat= 671, 686, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  45 GLU- HN     46 ARG+ QD      4.38             (#peak 148)
 &rst
  ixpk= 148, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 696, 697,
 &end
#
#  45 GLU- HN     47 THR  HN      4.34             (#peak 146 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 146, nxpk= 0, iat= 671, 710, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  46 ARG+ HA     46 ARG+ HD2     4.12             (#peak 941 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 941, nxpk= 0, iat= 688, 696, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  46 ARG+ HA     46 ARG+ HD3     4.12             (#peak 243 #SUP 0.63 #QF 0.34)
 &rst
  ixpk= 243, nxpk= 0, iat= 688, 697, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  46 ARG+ HA     46 ARG+ QD      3.62             (#peak 243)
 &rst
  ixpk= 243, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 696, 697,
 &end
#
#  46 ARG+ HA     46 ARG+ QG      3.32             (#peak 995)
 &rst
  ixpk= 995, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 693, 694,
 &end
#
#  46 ARG+ HB2    47 THR  HA      4.49             (#peak 554 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 554, nxpk= 0, iat= 690, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  46 ARG+ HB2    47 THR  HN      3.58             (#peak 416 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 416, nxpk= 0, iat= 690, 710, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  46 ARG+ HB3    47 THR  HA      5.50             (#peak 2502 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 2502, nxpk= 0, iat= 691, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  46 ARG+ HN     46 ARG+ HB2     2.95             (#peak 254 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 254, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  46 ARG+ HN     46 ARG+ HD2     4.58             (#peak 240 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 240, nxpk= 0, iat= 686, 696, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  46 ARG+ HN     46 ARG+ HD3     4.58             (#peak 244 #SUP 1.00 #QF 0.24)
 &rst
  ixpk= 244, nxpk= 0, iat= 686, 697, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  46 ARG+ HN     46 ARG+ QD      3.85             (#peak 240)
 &rst
  ixpk= 240, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 696, 697,
 &end
#
#  46 ARG+ HN     46 ARG+ QG      3.56             (#peak 255)
 &rst
  ixpk= 255, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 693, 694,
 &end
#
#  46 ARG+ HN     47 THR  HN      3.46             (#peak 248 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 248, nxpk= 0, iat= 686, 710, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  46 ARG+ HN     48 SER  HN      4.28             (#peak 249 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 249, nxpk= 0, iat= 686, 724, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  46 ARG+ QG     47 THR  HN      4.27             (#peak 417)
 &rst
  ixpk= 417, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 693, 694,
 &end
#
#  47 THR  HA     47 THR  QG2     3.16             (#peak 1280 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1280, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 716, 717, 718,
 &end
#
#  47 THR  HA     49 ARG+ HN      4.58             (#peak 341 #SUP 0.98 #QF 0.87)
 &rst
  ixpk= 341, nxpk= 0, iat= 712, 735, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  47 THR  HA     50 GLU- HB2     4.15             (#peak 553 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 553, nxpk= 0, iat= 712, 763, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  47 THR  HA     50 GLU- HB3     5.50             (#peak 1692 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1692, nxpk= 0, iat= 712, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  47 THR  HA     50 GLU- HN      3.88             (#peak 240 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 240, nxpk= 0, iat= 712, 759, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  47 THR  HA     50 GLU- QG      3.97             (#peak 520)
 &rst
  ixpk= 520, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 766, 767,
 &end
#
#  47 THR  HB     48 SER  HN      3.65             (#peak 435 #SUP 1.00 #QF 0.70)
 &rst
  ixpk= 435, nxpk= 0, iat= 714, 724, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  47 THR  HB     66 ILE  QG2     5.47             (#peak 2245 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 2245, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=1019,1020,1021,
 &end
#
#  47 THR  HN     47 THR  HB      4.01             (#peak 414 #SUP 0.96 #QF 0.80)
 &rst
  ixpk= 414, nxpk= 0, iat= 710, 714, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  47 THR  HN     47 THR  QG2     4.51             (#peak 418 #SUP 1.00 #QF 0.53)
 &rst
  ixpk= 418, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 716, 717, 718,
 &end
#
#  47 THR  HN     48 SER  HN      4.00             (#peak 412 #SUP 0.96 #QF 0.62)
 &rst
  ixpk= 412, nxpk= 0, iat= 710, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  47 THR  HN     50 GLU- QG      4.95             (#peak 2328)
 &rst
  ixpk= 2328, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 766, 767,
 &end
#
#  47 THR  QG2    48 SER  HN      3.83             (#peak 1275 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1275, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    48 SER  QB      5.21             (#peak 2279)
 &rst
  ixpk= 2279, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 716, 717, 718,
 igr2= 728, 729,
 &end
#
#  47 THR  QG2    50 GLU- HG2     5.04             (#peak 523 #SUP 0.92 #QF 0.87)
 &rst
  ixpk= 523, nxpk= 0, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    50 GLU- HG3     5.04             (#peak 523 #SUP 0.92 #QF 0.87)
 &rst
  ixpk= 523, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    50 GLU- HN      4.37             (#peak 1699 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1699, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    50 GLU- QG      4.22             (#peak 523)
 &rst
  ixpk= 523, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 716, 717, 718,
 igr2= 766, 767,
 &end
#
#  47 THR  QG2    51 LEU  HN      4.97             (#peak 1276 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1276, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    51 LEU  QD1     3.31             (#peak 1289 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1289, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 716, 717, 718,
 igr2= 783, 784, 785,
 &end
#
#  47 THR  QG2    51 LEU  QD2     3.94             (#peak 1288 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1288, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 716, 717, 718,
 igr2= 787, 788, 789,
 &end
#
#  47 THR  QG2    64 MET  HA      4.49             (#peak 2002 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2002, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    64 MET  HB2     3.81             (#peak 540 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 540, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    64 MET  HB3     3.41             (#peak 1286 #SUP 0.88 #QF 0.82)
 &rst
  ixpk= 1286, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    64 MET  HG3     4.03             (#peak 1284 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1284, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    65 LEU  HN      4.09             (#peak 1274 #SUP 0.96 #QF 0.22)
 &rst
  ixpk= 1274, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    66 ILE  HA      4.78             (#peak 2243 #SUP 0.99 #QF 0.24)
 &rst
  ixpk= 2243, nxpk= 0, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 716, 717, 718,
 &end
#
#  47 THR  QG2    66 ILE  QG2     3.45             (#peak 1287 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1287, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 716, 717, 718,
 igr2=1019,1020,1021,
 &end
#
#  48 SER  HA     51 LEU  QD1     4.33             (#peak 1954 #SUP 0.99 #QF 0.42)
 &rst
  ixpk= 1954, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 783, 784, 785,
 &end
#
#  48 SER  HB2    51 LEU  HG      5.50             (#peak 2280 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2280, nxpk= 0, iat= 728, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  48 SER  HB3    51 LEU  HG      5.50             (#peak 2610 #SUP 0.93 #QF 0.82)
 &rst
  ixpk= 2610, nxpk= 0, iat= 729, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  48 SER  HN     48 SER  HG      3.76             (#peak 738 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 738, nxpk= 0, iat= 724, 731, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  48 SER  HN     48 SER  QB      3.60             (#peak 438)
 &rst
  ixpk= 438, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 728, 729,
 &end
#
#  48 SER  HN     49 ARG+ HB3     5.04             (#peak 2335 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2335, nxpk= 0, iat= 724, 740, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  48 SER  HN     49 ARG+ HN      3.75             (#peak 337 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 337, nxpk= 0, iat= 724, 735, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  48 SER  HN     51 LEU  QD1     4.33             (#peak 1258 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1258, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 783, 784, 785,
 &end
#
#  48 SER  QB     49 ARG+ HN      3.68             (#peak 339)
 &rst
  ixpk= 339, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 728, 729,
 &end
#
#  48 SER  QB     51 LEU  HG      4.73             (#peak 2280)
 &rst
  ixpk= 2280, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 728, 729,
 &end
#
#  48 SER  QB     51 LEU  HN      4.92             (#peak 1696)
 &rst
  ixpk= 1696, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 728, 729,
 &end
#
#  48 SER  QB     51 LEU  QB      4.81             (#peak 2277)
 &rst
  ixpk= 2277, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 728, 729,
 igr2= 778, 779,
 &end
#
#  48 SER  QB     51 LEU  QD1     3.60             (#peak 1264)
 &rst
  ixpk= 1264, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 728, 729,
 igr2= 783, 784, 785,
 &end
#
#  48 SER  QB     51 LEU  QD2     5.34             (#peak 2278)
 &rst
  ixpk= 2278, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 728, 729,
 igr2= 787, 788, 789,
 &end
#
#  49 ARG+ HA     49 ARG+ HG3     3.69             (#peak 932 #SUP 1.00)
 &rst
  ixpk= 932, nxpk= 0, iat= 737, 743, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  49 ARG+ HA     49 ARG+ QD      4.38             (#peak 968)
 &rst
  ixpk= 968, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 745, 746,
 &end
#
#  49 ARG+ HB2    50 GLU- HN      4.27             (#peak 785 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 785, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  49 ARG+ HB3    50 GLU- HN      4.19             (#peak 786 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 786, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  49 ARG+ HD2    50 GLU- HA      4.20             (#peak 224 #SUP 0.67 #QF 0.23)
 &rst
  ixpk= 224, nxpk= 0, iat= 745, 761, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  49 ARG+ HD2    50 GLU- HN      4.28             (#peak 236 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 236, nxpk= 0, iat= 745, 759, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  49 ARG+ HD3    50 GLU- HA      4.20             (#peak 2337 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 2337, nxpk= 0, iat= 746, 761, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  49 ARG+ HD3    50 GLU- HN      4.28             (#peak 228 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 228, nxpk= 0, iat= 746, 759, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  49 ARG+ HG2    50 GLU- HN      4.24             (#peak 926 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 926, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  49 ARG+ HG3    50 GLU- HN      4.09             (#peak 931 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 931, nxpk= 0, iat= 743, 759, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  49 ARG+ HG3    50 GLU- QG      4.74             (#peak 522)
 &rst
  ixpk= 522, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 766, 767,
 &end
#
#  49 ARG+ HN     49 ARG+ HB2     3.64             (#peak 784 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 784, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  49 ARG+ HN     49 ARG+ HB3     3.19             (#peak 344 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 344, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  49 ARG+ HN     49 ARG+ HD2     5.00             (#peak 225 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 225, nxpk= 0, iat= 735, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 ARG+ HN     49 ARG+ HD3     5.00             (#peak 229 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 229, nxpk= 0, iat= 735, 746, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 ARG+ HN     49 ARG+ HG2     3.56             (#peak 925 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 925, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  49 ARG+ HN     49 ARG+ HG3     3.75             (#peak 930 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 930, nxpk= 0, iat= 735, 743, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  49 ARG+ HN     49 ARG+ QD      4.21             (#peak 229)
 &rst
  ixpk= 229, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 745, 746,
 &end
#
#  49 ARG+ HN     50 GLU- HA      5.45             (#peak 2322 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2322, nxpk= 0, iat= 735, 761, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  49 ARG+ HN     50 GLU- HN      3.61             (#peak 238 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 238, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  49 ARG+ HN     50 GLU- QG      4.24             (#peak 343)
 &rst
  ixpk= 343, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 766, 767,
 &end
#
#  49 ARG+ HN     51 LEU  HN      4.37             (#peak 655 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 655, nxpk= 0, iat= 735, 774, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  49 ARG+ QD     50 GLU- HA      3.46             (#peak 2337)
 &rst
  ixpk= 2337, nxpk= 0, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 745, 746,
 &end
#
#  49 ARG+ QD     50 GLU- HN      3.57             (#peak 228)
 &rst
  ixpk= 228, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 745, 746,
 &end
#
#  49 ARG+ QD     50 GLU- QG      4.11             (#peak 2329)
 &rst
  ixpk= 2329, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 745, 746,
 igr2= 766, 767,
 &end
#
#  50 GLU- HA     50 GLU- HG2     3.95             (#peak 519 #SUP 0.96 #QF 0.92)
 &rst
  ixpk= 519, nxpk= 0, iat= 761, 766, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  50 GLU- HA     50 GLU- HG3     3.95             (#peak 519 #SUP 0.96 #QF 0.92)
 &rst
  ixpk= 519, nxpk= 0, iat= 761, 767, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  50 GLU- HA     50 GLU- QG      3.40             (#peak 519)
 &rst
  ixpk= 519, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 766, 767,
 &end
#
#  50 GLU- HA     53 ASP- HB2     4.13             (#peak 991 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 991, nxpk= 0, iat= 761, 812, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  50 GLU- HA     53 ASP- HB3     4.13             (#peak 992 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 992, nxpk= 0, iat= 761, 813, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  50 GLU- HA     53 ASP- HN      4.40             (#peak 989 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 989, nxpk= 0, iat= 761, 808, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  50 GLU- HA     53 ASP- QB      3.60             (#peak 991)
 &rst
  ixpk= 991, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 812, 813,
 &end
#
#  50 GLU- HA     54 ALA  HN      4.44             (#peak 756 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 756, nxpk= 0, iat= 761, 820, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  50 GLU- HB2    51 LEU  HN      4.15             (#peak 131 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 131, nxpk= 0, iat= 763, 774, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  50 GLU- HB3    51 LEU  HN      4.26             (#peak 1691 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1691, nxpk= 0, iat= 764, 774, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  50 GLU- HB3    54 ALA  HN      5.50             (#peak 659 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 659, nxpk= 0, iat= 764, 820, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 GLU- HG2    51 LEU  QD2     5.50             (#peak 2483 #SUP 0.94 #QF 0.90)
 &rst
  ixpk= 2483, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 787, 788, 789,
 &end
#
#  50 GLU- HG3    51 LEU  QD2     5.50             (#peak 2483 #SUP 0.94 #QF 0.90)
 &rst
  ixpk= 2483, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 787, 788, 789,
 &end
#
#  50 GLU- HN     50 GLU- HB2     3.54             (#peak 242 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 242, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  50 GLU- HN     50 GLU- HB3     3.82             (#peak 243 #SUP 1.00)
 &rst
  ixpk= 243, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  50 GLU- HN     50 GLU- QG      3.25             (#peak 241)
 &rst
  ixpk= 241, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 766, 767,
 &end
#
#  50 GLU- HN     51 LEU  HG      4.67             (#peak 557 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 557, nxpk= 0, iat= 759, 781, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  50 GLU- HN     51 LEU  HN      3.71             (#peak 237 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 237, nxpk= 0, iat= 759, 774, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  50 GLU- HN     51 LEU  QD1     4.80             (#peak 555 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 555, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 783, 784, 785,
 &end
#
#  50 GLU- HN     51 LEU  QD2     4.94             (#peak 556 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 556, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 787, 788, 789,
 &end
#
#  50 GLU- QG     51 LEU  HN      4.15             (#peak 518)
 &rst
  ixpk= 518, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 766, 767,
 &end
#
#  51 LEU  HA     51 LEU  QD1     4.23             (#peak 1102 #SUP 1.00)
 &rst
  ixpk= 1102, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 783, 784, 785,
 &end
#
#  51 LEU  HA     51 LEU  QD2     3.16             (#peak 1392 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1392, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 787, 788, 789,
 &end
#
#  51 LEU  HA     54 ALA  HN      4.59             (#peak 757 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 757, nxpk= 0, iat= 776, 820, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  51 LEU  HA     54 ALA  QB      3.98             (#peak 1628 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1628, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 824, 825, 826,
 &end
#
#  51 LEU  HA     62 THR  QG2     3.76             (#peak 1100 #SUP 0.96 #QF 0.65)
 &rst
  ixpk= 1100, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 954, 955, 956,
 &end
#
#  51 LEU  HA     73 ALA  QB      4.47             (#peak 1938 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1938, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1129,1130,1131,
 &end
#
#  51 LEU  HA     75 LEU  QQD     4.29             (#peak 1160)
 &rst
  ixpk= 1160, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  51 LEU  HB2    51 LEU  QD1     3.64             (#peak 1270 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1270, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 783, 784, 785,
 &end
#
#  51 LEU  HB3    51 LEU  QD1     3.64             (#peak 1261 #SUP 1.00)
 &rst
  ixpk= 1261, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 783, 784, 785,
 &end
#
#  51 LEU  HG     52 GLU- HN      4.10             (#peak 377 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 377, nxpk= 0, iat= 781, 793, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  51 LEU  HG     64 MET  HB2     5.50             (#peak 2551 #SUP 0.95 #QF 0.47)
 &rst
  ixpk= 2551, nxpk= 0, iat= 781, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 LEU  HN     51 LEU  HB2     4.19             (#peak 136 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 136, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  51 LEU  HN     51 LEU  HB3     4.19             (#peak 732 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 732, nxpk= 0, iat= 774, 779, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  51 LEU  HN     51 LEU  HG      3.70             (#peak 784 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 784, nxpk= 0, iat= 774, 781, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  51 LEU  HN     51 LEU  QD1     3.69             (#peak 1259 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1259, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 783, 784, 785,
 &end
#
#  51 LEU  HN     51 LEU  QD2     3.58             (#peak 1391 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1391, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 787, 788, 789,
 &end
#
#  51 LEU  HN     52 GLU- HN      3.88             (#peak 385 #SUP 0.79 #QF 0.51)
 &rst
  ixpk= 385, nxpk= 0, iat= 774, 793, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  51 LEU  HN     62 THR  QG2     4.25             (#peak 1562 #SUP 0.79 #QF 0.51)
 &rst
  ixpk= 1562, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 954, 955, 956,
 &end
#
#  51 LEU  HN     73 ALA  QB      5.50             (#peak 2624 #SUP 1.00)
 &rst
  ixpk= 2624, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#  51 LEU  QB     51 LEU  QD2     3.34             (#peak 1398)
 &rst
  ixpk= 1398, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 778, 779,
 igr2= 787, 788, 789,
 &end
#
#  51 LEU  QB     52 GLU- HN      4.44             (#peak 656)
 &rst
  ixpk= 656, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 778, 779,
 &end
#
#  51 LEU  QB     73 ALA  QB      4.71             (#peak 2072)
 &rst
  ixpk= 2072, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 778, 779,
 igr2=1129,1130,1131,
 &end
#
#  51 LEU  QB     75 LEU  QQD     4.85             (#peak 1950)
 &rst
  ixpk= 1950, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 778, 779,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  51 LEU  QD1    52 GLU- HN      4.26             (#peak 1260 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1260, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 783, 784, 785,
 &end
#
#  51 LEU  QD1    52 GLU- QB      5.25             (#peak 1953)
 &rst
  ixpk= 1953, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 783, 784, 785,
 igr2= 797, 798,
 &end
#
#  51 LEU  QD1    64 MET  HB3     4.85             (#peak 1267 #SUP 1.00 #QF 0.21)
 &rst
  ixpk= 1267, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 783, 784, 785,
 &end
#
#  51 LEU  QD1    64 MET  QE      4.27             (#peak 1622 #SUP 1.00)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 783, 784, 785,
 igr2= 988, 989, 990,
 &end
#
#  51 LEU  QD1    73 ALA  QB      3.82             (#peak 1536 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1536, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 783, 784, 785,
 igr2=1129,1130,1131,
 &end
#
#  51 LEU  QD1    78 MET  QE      5.50             (#peak 1952 #SUP 0.92 #QF 0.30)
 &rst
  ixpk= 1952, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 783, 784, 785,
 igr2=1206,1207,1208,
 &end
#
#  51 LEU  QD1    92 ILE  HB      5.50             (#peak 1952 #SUP 0.92 #QF 0.30)
 &rst
  ixpk= 1952, nxpk= 0, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 783, 784, 785,
 &end
#
#  51 LEU  QD1    92 ILE  QD1     4.16             (#peak 121 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 121, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 783, 784, 785,
 igr2=1474,1475,1476,
 &end
#
#  51 LEU  QD1    92 ILE  QG2     4.66             (#peak 1547 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1547, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 783, 784, 785,
 igr2=1467,1468,1469,
 &end
#
#  51 LEU  QD2    52 GLU- HN      4.76             (#peak 2597 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 2597, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    54 ALA  QB      4.03             (#peak 1395 #SUP 1.00)
 &rst
  ixpk= 1395, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 787, 788, 789,
 igr2= 824, 825, 826,
 &end
#
#  51 LEU  QD2    62 THR  HA      5.50             (#peak 2598 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2598, nxpk= 0, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    62 THR  QG2     2.70             (#peak 2594 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 2594, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 787, 788, 789,
 igr2= 954, 955, 956,
 &end
#
#  51 LEU  QD2    64 MET  HB3     3.60             (#peak 1394 #SUP 0.67 #QF 0.56)
 &rst
  ixpk= 1394, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    64 MET  HG2     4.49             (#peak 2009 #SUP 1.00)
 &rst
  ixpk= 2009, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    64 MET  HG3     4.55             (#peak 2010 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2010, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    64 MET  QE      3.92             (#peak 1621 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1621, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 787, 788, 789,
 igr2= 988, 989, 990,
 &end
#
#  51 LEU  QD2    73 ALA  HA      4.95             (#peak 2439 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2439, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    73 ALA  HN      4.25             (#peak 1399 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1399, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 787, 788, 789,
 &end
#
#  51 LEU  QD2    73 ALA  QB      2.78             (#peak 1396 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1396, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 787, 788, 789,
 igr2=1129,1130,1131,
 &end
#
#  51 LEU  QD2    92 ILE  QD1     4.56             (#peak 110 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 110, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 787, 788, 789,
 igr2=1474,1475,1476,
 &end
#
#  52 GLU- HA     55 PHE  HN      4.75             (#peak 2599 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2599, nxpk= 0, iat= 795, 830, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  52 GLU- HA     55 PHE  QD      4.35             (#peak 1956 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1956, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 838, 846,
 &end
#
#  52 GLU- HA     56 SER  HN      5.19             (#peak 2532 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2532, nxpk= 0, iat= 795, 850, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  52 GLU- HG2    53 ASP- HA      5.50             (#peak 1959 #SUP 0.68 #QF 0.52)
 &rst
  ixpk= 1959, nxpk= 0, iat= 800, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLU- HG2    53 ASP- HN      5.50             (#peak 2399 #SUP 0.96 #QF 0.88)
 &rst
  ixpk= 2399, nxpk= 0, iat= 800, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLU- HG3    53 ASP- HA      5.50             (#peak 1959 #SUP 0.68 #QF 0.52)
 &rst
  ixpk= 1959, nxpk= 0, iat= 801, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLU- HG3    53 ASP- HN      5.50             (#peak 2399 #SUP 0.96 #QF 0.88)
 &rst
  ixpk= 2399, nxpk= 0, iat= 801, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLU- HN     52 GLU- HB2     3.95             (#peak 386 #SUP 0.38 #QF 0.38)
 &rst
  ixpk= 386, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  52 GLU- HN     52 GLU- HB3     3.95             (#peak 384 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 384, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  52 GLU- HN     52 GLU- HG2     5.50             (#peak 2398 #SUP 0.92 #QF 0.72)
 &rst
  ixpk= 2398, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLU- HN     52 GLU- HG3     5.50             (#peak 2398 #SUP 0.92 #QF 0.72)
 &rst
  ixpk= 2398, nxpk= 0, iat= 793, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLU- HN     52 GLU- QB      3.41             (#peak 386)
 &rst
  ixpk= 386, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 797, 798,
 &end
#
#  52 GLU- HN     52 GLU- QG      4.77             (#peak 2398)
 &rst
  ixpk= 2398, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 800, 801,
 &end
#
#  52 GLU- HN     53 ASP- HN      4.23             (#peak 385 #SUP 0.79 #QF 0.51)
 &rst
  ixpk= 385, nxpk= 0, iat= 793, 808, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  52 GLU- HN     54 ALA  HN      4.43             (#peak 212 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 212, nxpk= 0, iat= 793, 820, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  52 GLU- HN     55 PHE  QD      5.08             (#peak 815 #SUP 0.48 #QF 0.48)
 &rst
  ixpk= 815, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 838, 846,
 &end
#
#  52 GLU- QB     53 ASP- HN      4.11             (#peak 286)
 &rst
  ixpk= 286, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 797, 798,
 &end
#
#  53 ASP- HA     54 ALA  QB      5.21             (#peak 1960 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1960, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 824, 825, 826,
 &end
#
#  53 ASP- HA     56 SER  HB2     4.21             (#peak 1122 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 1122, nxpk= 0, iat= 810, 854, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  53 ASP- HA     56 SER  HB3     3.75             (#peak 2609 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 2609, nxpk= 0, iat= 810, 855, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  53 ASP- HA     56 SER  HN      4.71             (#peak 1961 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1961, nxpk= 0, iat= 810, 850, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  53 ASP- HB2    54 ALA  HN      3.63             (#peak 214 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 214, nxpk= 0, iat= 812, 820, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  53 ASP- HB3    54 ALA  HN      3.63             (#peak 215 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 215, nxpk= 0, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  53 ASP- HN     53 ASP- HB2     3.42             (#peak 284 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 284, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  53 ASP- HN     53 ASP- HB3     3.42             (#peak 285 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 285, nxpk= 0, iat= 808, 813, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  53 ASP- HN     54 ALA  HN      3.47             (#peak 218 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 218, nxpk= 0, iat= 808, 820, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  53 ASP- HN     54 ALA  QB      3.93             (#peak 1624 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1624, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 824, 825, 826,
 &end
#
#  53 ASP- QB     54 ALA  QB      4.40             (#peak 2400)
 &rst
  ixpk= 2400, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 812, 813,
 igr2= 824, 825, 826,
 &end
#
#  53 ASP- QB     56 SER  HN      5.34             (#peak 2487)
 &rst
  ixpk= 2487, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 812, 813,
 &end
#
#  54 ALA  HA     57 LYS+ HB3     4.97             (#peak 1962 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1962, nxpk= 0, iat= 822, 866, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  54 ALA  HA     57 LYS+ HD3     4.03             (#peak 1341 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 1341, nxpk= 0, iat= 822, 872, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  54 ALA  HA     57 LYS+ HE2     3.82             (#peak 308 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 308, nxpk= 0, iat= 822, 874, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  54 ALA  HA     57 LYS+ HE3     3.93             (#peak 303 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 303, nxpk= 0, iat= 822, 875, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  54 ALA  HA     57 LYS+ HN      3.88             (#peak 325 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 325, nxpk= 0, iat= 822, 861, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  54 ALA  HA     59 LYS+ HB3     5.50             (#peak 2413 #SUP 0.99 #QF 0.87)
 &rst
  ixpk= 2413, nxpk= 0, iat= 822, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 ALA  HA     59 LYS+ HD2     3.70             (#peak 844 #SUP 1.00)
 &rst
  ixpk= 844, nxpk= 0, iat= 822, 900, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  54 ALA  HA     59 LYS+ HD3     4.12             (#peak 1339 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1339, nxpk= 0, iat= 822, 901, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  54 ALA  HA     59 LYS+ HG2     4.18             (#peak 1115 #SUP 1.00)
 &rst
  ixpk= 1115, nxpk= 0, iat= 822, 897, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  54 ALA  HA     59 LYS+ HG3     4.36             (#peak 1108 #SUP 1.00)
 &rst
  ixpk= 1108, nxpk= 0, iat= 822, 898, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  54 ALA  HA     59 LYS+ HN      4.54             (#peak 1964 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1964, nxpk= 0, iat= 822, 890, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  54 ALA  HA     75 LEU  QQD     4.36             (#peak 1158)
 &rst
  ixpk= 1158, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  54 ALA  HN     54 ALA  QB      3.07             (#peak 1626 #SUP 1.00)
 &rst
  ixpk= 1626, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 824, 825, 826,
 &end
#
#  54 ALA  HN     55 PHE  HN      3.74             (#peak 217 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 217, nxpk= 0, iat= 820, 830, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  54 ALA  HN     56 SER  HB2     5.33             (#peak 2498 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2498, nxpk= 0, iat= 820, 854, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  54 ALA  HN     56 SER  HB3     5.18             (#peak 2606 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2606, nxpk= 0, iat= 820, 855, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  54 ALA  HN     56 SER  HN      4.37             (#peak 216 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 216, nxpk= 0, iat= 820, 850, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  54 ALA  HN     59 LYS+ HD2     4.81             (#peak 660 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 660, nxpk= 0, iat= 820, 900, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  54 ALA  HN     75 LEU  QQD     4.37             (#peak 1151)
 &rst
  ixpk= 1151, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  54 ALA  QB     55 PHE  HA      4.12             (#peak 1631 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1631, nxpk= 0, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     55 PHE  HN      3.51             (#peak 1623 #SUP 1.00)
 &rst
  ixpk= 1623, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     55 PHE  QB      4.88             (#peak 1969)
 &rst
  ixpk= 1969, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 824, 825, 826,
 igr2= 834, 835,
 &end
#
#  54 ALA  QB     55 PHE  QD      4.60             (#peak 2402 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2402, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 824, 825, 826,
 igr2= 838, 846,
 &end
#
#  54 ALA  QB     57 LYS+ HE2     3.89             (#peak 311 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 311, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     57 LYS+ HE3     4.97             (#peak 2405 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2405, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     57 LYS+ HN      4.47             (#peak 2403 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 2403, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     58 GLY  HN      5.37             (#peak 546 #SUP 0.99 #QF 0.90)
 &rst
  ixpk= 546, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     59 LYS+ HD2     3.36             (#peak 2602 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2602, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     59 LYS+ HD3     3.58             (#peak 837 #SUP 1.00)
 &rst
  ixpk= 837, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     59 LYS+ HN      4.90             (#peak 1625 #SUP 1.00)
 &rst
  ixpk= 1625, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     60 LYS+ HN      5.50             (#peak 1966 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1966, nxpk= 0, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     61 ASN  HN      4.49             (#peak 1968 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1968, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     62 THR  HA      4.22             (#peak 2404 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2404, nxpk= 0, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     62 THR  HB      3.36             (#peak 1627 #SUP 1.00)
 &rst
  ixpk= 1627, nxpk= 0, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     62 THR  HN      4.62             (#peak 1967 #SUP 1.00)
 &rst
  ixpk= 1967, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 824, 825, 826,
 &end
#
#  54 ALA  QB     62 THR  QG2     3.00             (#peak 1566 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1566, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 824, 825, 826,
 igr2= 954, 955, 956,
 &end
#
#  54 ALA  QB     75 LEU  QQD     2.84             (#peak 1165)
 &rst
  ixpk= 1165, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 824, 825, 826,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  55 PHE  HA     55 PHE  QD      3.68             (#peak 823 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 823, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 838, 846,
 &end
#
#  55 PHE  HA     58 GLY  HN      3.94             (#peak 544 #SUP 0.97 #QF 0.69)
 &rst
  ixpk= 544, nxpk= 0, iat= 832, 883, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  55 PHE  HA     59 LYS+ HN      4.75             (#peak 2020 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2020, nxpk= 0, iat= 832, 890, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  55 PHE  HA     75 LEU  QQD     3.17             (#peak 1156)
 &rst
  ixpk= 1156, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  55 PHE  HB2    75 LEU  QD1     5.55             (#peak 1159 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1159, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1156,1157,1158,
 &end
#
#  55 PHE  HB2    75 LEU  QD2     5.55             (#peak 1974 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 1974, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1160,1161,1162,
 &end
#
#  55 PHE  HB3    75 LEU  QD1     5.55             (#peak 1159)
 &rst
  ixpk= 1159, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1156,1157,1158,
 &end
#
#  55 PHE  HB3    75 LEU  QD2     5.55             (#peak 2603 #SUP 0.48 #QF 0.48)
 &rst
  ixpk= 2603, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1160,1161,1162,
 &end
#
#  55 PHE  HN     55 PHE  QB      3.66             (#peak 759)
 &rst
  ixpk= 759, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 834, 835,
 &end
#
#  55 PHE  HN     55 PHE  QD      4.04             (#peak 265 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 265, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 838, 846,
 &end
#
#  55 PHE  HN     56 SER  HB2     4.98             (#peak 2607 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2607, nxpk= 0, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  55 PHE  HN     56 SER  HB3     5.24             (#peak 2608 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2608, nxpk= 0, iat= 830, 855, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  55 PHE  HN     56 SER  HN      3.77             (#peak 425 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 425, nxpk= 0, iat= 830, 850, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  55 PHE  HN     75 LEU  QQD     3.51             (#peak 1149)
 &rst
  ixpk= 1149, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  55 PHE  QB     56 SER  HN      4.01             (#peak 430)
 &rst
  ixpk= 430, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 834, 835,
 &end
#
#  55 PHE  QB     75 LEU  QQD     3.57             (#peak 1159)
 &rst
  ixpk= 1159, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 834, 835,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  55 PHE  QD     56 SER  HA      4.20             (#peak 822 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 822, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 838, 846,
 &end
#
#  55 PHE  QD     56 SER  HB2     4.49             (#peak 2499 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2499, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 838, 846,
 &end
#
#  55 PHE  QD     56 SER  HB3     5.22             (#peak 2605 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2605, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 838, 846,
 &end
#
#  55 PHE  QD     56 SER  HN      4.01             (#peak 432 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 432, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 838, 846,
 &end
#
#  55 PHE  QD     75 LEU  HB3     5.50             (#peak 2408 #SUP 0.33 #QF 0.33)
 &rst
  ixpk= 2408, nxpk= 0, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 846,
 &end
#
#  55 PHE  QD     75 LEU  QQD     3.91             (#peak 26)
 &rst
  ixpk= 26, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 838, 846,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  56 SER  HA     58 GLY  HN      5.16             (#peak 1976 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1976, nxpk= 0, iat= 852, 883, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  56 SER  HB2    57 LYS+ HN      4.09             (#peak 712 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 712, nxpk= 0, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  56 SER  HB3    57 LYS+ HN      3.64             (#peak 324 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 324, nxpk= 0, iat= 855, 861, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  56 SER  HN     56 SER  HB2     3.40             (#peak 428 #SUP 1.00)
 &rst
  ixpk= 428, nxpk= 0, iat= 850, 854, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  56 SER  HN     56 SER  HB3     3.50             (#peak 713 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 713, nxpk= 0, iat= 850, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  56 SER  HN     57 LYS+ HB2     4.77             (#peak 663 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 663, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  56 SER  HN     57 LYS+ HN      3.74             (#peak 320 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 320, nxpk= 0, iat= 850, 861, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  56 SER  HN     58 GLY  HN      4.48             (#peak 786 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 786, nxpk= 0, iat= 850, 883, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  56 SER  HN     75 LEU  QQD     4.21             (#peak 1167)
 &rst
  ixpk= 1167, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  57 LYS+ HA     57 LYS+ HD2     4.88             (#peak 2412 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 2412, nxpk= 0, iat= 863, 871, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  57 LYS+ HA     57 LYS+ HD3     4.50             (#peak 845 #SUP 1.00)
 &rst
  ixpk= 845, nxpk= 0, iat= 863, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  57 LYS+ HA     57 LYS+ HE3     4.70             (#peak 2540 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2540, nxpk= 0, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  57 LYS+ HA     57 LYS+ HG3     3.84             (#peak 1068 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1068, nxpk= 0, iat= 863, 869, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  57 LYS+ HA     58 GLY  HA3     5.09             (#peak 1247 #SUP 0.92 #QF 0.86)
 &rst
  ixpk= 1247, nxpk= 0, iat= 863, 886, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  57 LYS+ HA     59 LYS+ HN      5.04             (#peak 2612 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2612, nxpk= 0, iat= 863, 890, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  57 LYS+ HB2    57 LYS+ HE2     3.57             (#peak 309 #SUP 0.95 #QF 0.44)
 &rst
  ixpk= 309, nxpk= 0, iat= 865, 874, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  57 LYS+ HB2    57 LYS+ HE3     4.56             (#peak 2409 #SUP 0.30 #QF 0.30)
 &rst
  ixpk= 2409, nxpk= 0, iat= 865, 875, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  57 LYS+ HB3    57 LYS+ HD2     4.12             (#peak 2615 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2615, nxpk= 0, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  57 LYS+ HB3    57 LYS+ HD3     4.22             (#peak 2538 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2538, nxpk= 0, iat= 866, 872, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  57 LYS+ HB3    57 LYS+ HE3     4.07             (#peak 2620 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2620, nxpk= 0, iat= 866, 875, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  57 LYS+ HB3    58 GLY  HA3     5.50             (#peak 1978 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 1978, nxpk= 0, iat= 866, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  57 LYS+ HB3    58 GLY  HN      4.45             (#peak 664 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 664, nxpk= 0, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  57 LYS+ HB3    59 LYS+ HG2     4.57             (#peak 559 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 559, nxpk= 0, iat= 866, 897, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  57 LYS+ HB3    59 LYS+ HN      4.25             (#peak 387 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 387, nxpk= 0, iat= 866, 890, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  57 LYS+ HE2    59 LYS+ HD2     3.70             (#peak 309 #SUP 0.95 #QF 0.44)
 &rst
  ixpk= 309, nxpk= 0, iat= 874, 900, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  57 LYS+ HE2    59 LYS+ HD3     4.33             (#peak 835 #SUP 1.00)
 &rst
  ixpk= 835, nxpk= 0, iat= 874, 901, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  57 LYS+ HE2    59 LYS+ HG2     4.08             (#peak 1111 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1111, nxpk= 0, iat= 874, 897, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  57 LYS+ HE2    59 LYS+ HG3     4.48             (#peak 1109 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1109, nxpk= 0, iat= 874, 898, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  57 LYS+ HE2    59 LYS+ HN      4.99             (#peak 828 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 828, nxpk= 0, iat= 874, 890, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  57 LYS+ HE3    59 LYS+ HG2     4.15             (#peak 1112 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1112, nxpk= 0, iat= 875, 897, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  57 LYS+ HE3    59 LYS+ HG3     4.98             (#peak 1107 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1107, nxpk= 0, iat= 875, 898, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  57 LYS+ HE3    59 LYS+ HN      4.63             (#peak 827 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 827, nxpk= 0, iat= 875, 890, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  57 LYS+ HG2    57 LYS+ HE3     4.02             (#peak 2537 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2537, nxpk= 0, iat= 868, 875, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  57 LYS+ HG3    57 LYS+ HE3     4.00             (#peak 1066 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1066, nxpk= 0, iat= 869, 875, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  57 LYS+ HG3    58 GLY  HN      4.90             (#peak 2410 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2410, nxpk= 0, iat= 869, 883, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  57 LYS+ HN     57 LYS+ HB3     3.71             (#peak 328 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 328, nxpk= 0, iat= 861, 866, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  57 LYS+ HN     57 LYS+ HD2     4.84             (#peak 2411 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2411, nxpk= 0, iat= 861, 871, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  57 LYS+ HN     57 LYS+ HD3     3.60             (#peak 330 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 330, nxpk= 0, iat= 861, 872, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  57 LYS+ HN     57 LYS+ HE3     4.83             (#peak 327 #SUP 1.00)
 &rst
  ixpk= 327, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  57 LYS+ HN     57 LYS+ HG2     4.60             (#peak 1981 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1981, nxpk= 0, iat= 861, 868, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  57 LYS+ HN     57 LYS+ HG3     3.59             (#peak 331 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 331, nxpk= 0, iat= 861, 869, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  57 LYS+ HN     58 GLY  HA2     4.82             (#peak 326 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 326, nxpk= 0, iat= 861, 885, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  57 LYS+ HN     58 GLY  HN      3.46             (#peak 322 #SUP 1.00)
 &rst
  ixpk= 322, nxpk= 0, iat= 861, 883, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  57 LYS+ HN     59 LYS+ HN      4.19             (#peak 321 #SUP 1.00)
 &rst
  ixpk= 321, nxpk= 0, iat= 861, 890, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  58 GLY  HA3    59 LYS+ HB3     5.50             (#peak 2413 #SUP 0.99 #QF 0.87)
 &rst
  ixpk= 2413, nxpk= 0, iat= 886, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 GLY  HA3    59 LYS+ HN      3.51             (#peak 395 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 395, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  58 GLY  HN     59 LYS+ HA      4.75             (#peak 2616 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2616, nxpk= 0, iat= 883, 892, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  58 GLY  HN     59 LYS+ HG2     4.52             (#peak 2415 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2415, nxpk= 0, iat= 883, 897, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  58 GLY  HN     59 LYS+ HG3     3.86             (#peak 543 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 543, nxpk= 0, iat= 883, 898, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  58 GLY  HN     59 LYS+ HN      3.28             (#peak 390 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 390, nxpk= 0, iat= 883, 890, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  59 LYS+ HA     59 LYS+ HD3     5.03             (#peak 839 #SUP 1.00)
 &rst
  ixpk= 839, nxpk= 0, iat= 892, 901, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  59 LYS+ HA     59 LYS+ HG2     3.82             (#peak 1202 #SUP 0.26 #QF 0.26)
 &rst
  ixpk= 1202, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  59 LYS+ HA     60 LYS+ HN      3.28             (#peak 1199 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1199, nxpk= 0, iat= 892, 912, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  59 LYS+ HA     61 ASN  HN      4.19             (#peak 1197 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1197, nxpk= 0, iat= 892, 934, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  59 LYS+ HB2    60 LYS+ HN      3.87             (#peak 364 #SUP 0.96 #QF 0.71)
 &rst
  ixpk= 364, nxpk= 0, iat= 894, 912, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  59 LYS+ HB2    61 ASN  HN      3.43             (#peak 522 #SUP 0.99 #QF 0.90)
 &rst
  ixpk= 522, nxpk= 0, iat= 894, 934, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  59 LYS+ HB2    62 THR  HB      4.97             (#peak 2268 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2268, nxpk= 0, iat= 894, 952, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  59 LYS+ HB3    60 LYS+ HN      3.85             (#peak 362 #SUP 0.91 #QF 0.83)
 &rst
  ixpk= 362, nxpk= 0, iat= 895, 912, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  59 LYS+ HB3    61 ASN  HN      4.20             (#peak 525 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 525, nxpk= 0, iat= 895, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  59 LYS+ HB3    62 THR  HB      5.50             (#peak 2413 #SUP 0.99 #QF 0.87)
 &rst
  ixpk= 2413, nxpk= 0, iat= 895, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+ HD2    61 ASN  HN      4.98             (#peak 867 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 867, nxpk= 0, iat= 900, 934, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  59 LYS+ HD2    62 THR  HB      4.00             (#peak 844 #SUP 1.00)
 &rst
  ixpk= 844, nxpk= 0, iat= 900, 952, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  59 LYS+ HD2    62 THR  QG2     4.08             (#peak 868 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 868, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 954, 955, 956,
 &end
#
#  59 LYS+ HD2    75 LEU  QQD     4.54             (#peak 1163)
 &rst
  ixpk= 1163, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  59 LYS+ HD3    61 ASN  HN      3.48             (#peak 526 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 526, nxpk= 0, iat= 901, 934, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  59 LYS+ HD3    62 THR  HB      3.66             (#peak 840 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 840, nxpk= 0, iat= 901, 952, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  59 LYS+ HD3    62 THR  HN      4.52             (#peak 667 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 667, nxpk= 0, iat= 901, 948, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  59 LYS+ HD3    62 THR  QG2     4.58             (#peak 1568 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1568, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 954, 955, 956,
 &end
#
#  59 LYS+ HG2    60 LYS+ HN      5.21             (#peak 2414 #SUP 1.00)
 &rst
  ixpk= 2414, nxpk= 0, iat= 897, 912, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  59 LYS+ HG3    60 LYS+ HN      4.25             (#peak 2417 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2417, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  59 LYS+ HN     59 LYS+ HB3     3.66             (#peak 397 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 397, nxpk= 0, iat= 890, 895, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  59 LYS+ HN     59 LYS+ HD2     4.36             (#peak 843 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 843, nxpk= 0, iat= 890, 900, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  59 LYS+ HN     59 LYS+ HD3     4.68             (#peak 838 #SUP 1.00)
 &rst
  ixpk= 838, nxpk= 0, iat= 890, 901, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  59 LYS+ HN     59 LYS+ HG2     3.79             (#peak 1114 #SUP 1.00)
 &rst
  ixpk= 1114, nxpk= 0, iat= 890, 897, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  59 LYS+ HN     59 LYS+ HG3     3.15             (#peak 400 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 400, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  59 LYS+ HN     60 LYS+ HN      4.65             (#peak 389 #SUP 1.00)
 &rst
  ixpk= 389, nxpk= 0, iat= 890, 912, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  59 LYS+ HN     61 ASN  HN      5.29             (#peak 391 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 391, nxpk= 0, iat= 890, 934, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  59 LYS+ HN     75 LEU  QQD     4.98             (#peak 1168)
 &rst
  ixpk= 1168, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  60 LYS+ HA     60 LYS+ HG2     3.86             (#peak 1137 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1137, nxpk= 0, iat= 914, 919, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  60 LYS+ HA     60 LYS+ HG3     3.80             (#peak 1143 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1143, nxpk= 0, iat= 914, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  60 LYS+ HA     61 ASN  HN      3.49             (#peak 519 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 519, nxpk= 0, iat= 914, 934, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  60 LYS+ HA     75 LEU  HB2     3.29             (#peak 1128 #SUP 0.96 #QF 0.95)
 &rst
  ixpk= 1128, nxpk= 0, iat= 914,1151, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  60 LYS+ HA     75 LEU  QQD     3.68             (#peak 1157)
 &rst
  ixpk= 1157, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  60 LYS+ HA     76 GLU- QG      3.79             (#peak 481)
 &rst
  ixpk= 481, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1173,1174,
 &end
#
#  60 LYS+ HB2    61 ASN  HD21    4.33             (#peak 456 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 456, nxpk= 0, iat= 916, 943, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  60 LYS+ HB2    61 ASN  HD22    5.50             (#peak 2542 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2542, nxpk= 0, iat= 916, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 LYS+ HB2    61 ASN  HN      4.55             (#peak 604 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 604, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  60 LYS+ HB3    61 ASN  HD21    4.33             (#peak 458 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 458, nxpk= 0, iat= 917, 943, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  60 LYS+ HB3    61 ASN  HD22    5.50             (#peak 2547 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2547, nxpk= 0, iat= 917, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 LYS+ HB3    61 ASN  HN      4.55             (#peak 596 #SUP 1.00)
 &rst
  ixpk= 596, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  60 LYS+ HD2    76 GLU- HG2     5.50             (#peak 2563 #SUP 0.99 #QF 0.88)
 &rst
  ixpk= 2563, nxpk= 0, iat= 922,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 LYS+ HD2    76 GLU- HG3     5.50             (#peak 483 #SUP 0.96 #QF 0.81)
 &rst
  ixpk= 483, nxpk= 0, iat= 922,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 LYS+ HD3    76 GLU- HG2     5.50             (#peak 2563 #SUP 0.99 #QF 0.88)
 &rst
  ixpk= 2563, nxpk= 0, iat= 923,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 LYS+ HD3    76 GLU- HG3     5.50             (#peak 483 #SUP 0.96 #QF 0.81)
 &rst
  ixpk= 483, nxpk= 0, iat= 923,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 LYS+ HG2    60 LYS+ HE2     4.03             (#peak 1138 #SUP 0.96 #QF 0.76)
 &rst
  ixpk= 1138, nxpk= 0, iat= 919, 925, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  60 LYS+ HG2    60 LYS+ HE3     4.03             (#peak 1138 #SUP 0.96 #QF 0.76)
 &rst
  ixpk= 1138, nxpk= 0, iat= 919, 926, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  60 LYS+ HG2    60 LYS+ QE      3.48             (#peak 1138)
 &rst
  ixpk= 1138, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 925, 926,
 &end
#
#  60 LYS+ HG2    61 ASN  HD21    4.56             (#peak 762 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 762, nxpk= 0, iat= 919, 943, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  60 LYS+ HG2    61 ASN  HN      4.39             (#peak 1987 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1987, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  60 LYS+ HG2    76 GLU- HG2     5.04             (#peak 1139 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1139, nxpk= 0, iat= 919,1173, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  60 LYS+ HG2    76 GLU- HG3     5.04             (#peak 1989 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1989, nxpk= 0, iat= 919,1174, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  60 LYS+ HG2    76 GLU- QG      4.40             (#peak 1989)
 &rst
  ixpk= 1989, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1173,1174,
 &end
#
#  60 LYS+ HG3    61 ASN  HN      4.37             (#peak 1990 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1990, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  60 LYS+ HG3    76 GLU- HG2     4.23             (#peak 1146 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1146, nxpk= 0, iat= 920,1173, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  60 LYS+ HG3    76 GLU- HG3     4.23             (#peak 484 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 484, nxpk= 0, iat= 920,1174, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  60 LYS+ HG3    76 GLU- QG      3.66             (#peak 1146)
 &rst
  ixpk= 1146, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1173,1174,
 &end
#
#  60 LYS+ HN     60 LYS+ HB2     3.90             (#peak 590 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 590, nxpk= 0, iat= 912, 916, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  60 LYS+ HN     60 LYS+ HB3     3.90             (#peak 363 #SUP 1.00)
 &rst
  ixpk= 363, nxpk= 0, iat= 912, 917, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  60 LYS+ HN     60 LYS+ HG2     3.69             (#peak 1136 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1136, nxpk= 0, iat= 912, 919, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  60 LYS+ HN     60 LYS+ HG3     3.79             (#peak 365 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 365, nxpk= 0, iat= 912, 920, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  60 LYS+ HN     60 LYS+ QB      3.37             (#peak 363)
 &rst
  ixpk= 363, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 916, 917,
 &end
#
#  60 LYS+ HN     61 ASN  HN      3.25             (#peak 523 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 523, nxpk= 0, iat= 912, 934, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  60 LYS+ QB     60 LYS+ QE      4.70             (#peak 594)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 916, 917,
 igr2= 925, 926,
 &end
#
#  60 LYS+ QB     61 ASN  HD21    3.81             (#peak 458)
 &rst
  ixpk= 458, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 916, 917,
 &end
#
#  60 LYS+ QB     61 ASN  HN      4.00             (#peak 604)
 &rst
  ixpk= 604, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 916, 917,
 &end
#
#  60 LYS+ QB     76 GLU- QG      4.04             (#peak 482)
 &rst
  ixpk= 482, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 916, 917,
 igr2=1173,1174,
 &end
#
#  60 LYS+ QD     76 GLU- QG      4.15             (#peak 2563)
 &rst
  ixpk= 2563, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 922, 923,
 igr2=1173,1174,
 &end
#
#  60 LYS+ QE     61 ASN  HD22    4.73             (#peak 452)
 &rst
  ixpk= 452, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 925, 926,
 &end
#
#  61 ASN  HA     61 ASN  HD21    4.54             (#peak 830 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 830, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  61 ASN  HA     61 ASN  HD22    5.21             (#peak 461 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 461, nxpk= 0, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  61 ASN  HA     62 THR  HA      4.95             (#peak 2000 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2000, nxpk= 0, iat= 936, 950, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  61 ASN  HA     62 THR  HN      3.51             (#peak 506 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 506, nxpk= 0, iat= 936, 948, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  61 ASN  HA     62 THR  QG2     4.82             (#peak 83 #SUP 0.97 #QF 0.73)
 &rst
  ixpk= 83, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 954, 955, 956,
 &end
#
#  61 ASN  HA     72 VAL  QQG     4.51             (#peak 1500)
 &rst
  ixpk= 1500, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  61 ASN  HA     75 LEU  HA      5.50             (#peak 1993 #SUP 0.98 #QF 0.96)
 &rst
  ixpk= 1993, nxpk= 0, iat= 936,1149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  61 ASN  HA     75 LEU  HB2     5.04             (#peak 1992 #SUP 0.86 #QF 0.50)
 &rst
  ixpk= 1992, nxpk= 0, iat= 936,1151, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  61 ASN  HA     75 LEU  HG      4.99             (#peak 908 #SUP 1.00)
 &rst
  ixpk= 908, nxpk= 0, iat= 936,1154, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  61 ASN  HA     75 LEU  HN      4.71             (#peak 693 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 693, nxpk= 0, iat= 936,1147, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  61 ASN  HA     75 LEU  QD1     4.97             (#peak 1154 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1154, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1156,1157,1158,
 &end
#
#  61 ASN  HA     75 LEU  QD2     4.97             (#peak 83 #SUP 0.97 #QF 0.73)
 &rst
  ixpk= 83, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1160,1161,1162,
 &end
#
#  61 ASN  HA     75 LEU  QQD     3.70             (#peak 1154)
 &rst
  ixpk= 1154, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  61 ASN  HB2    62 THR  HA      4.95             (#peak 1995 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1995, nxpk= 0, iat= 938, 950, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  61 ASN  HB2    62 THR  HN      3.62             (#peak 509 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 509, nxpk= 0, iat= 938, 948, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  61 ASN  HB2    72 VAL  QQG     3.47             (#peak 1497)
 &rst
  ixpk= 1497, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  61 ASN  HB3    61 ASN  HD21    3.54             (#peak 457 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 457, nxpk= 0, iat= 939, 943, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  61 ASN  HB3    62 THR  HN      4.26             (#peak 332 #SUP 1.00)
 &rst
  ixpk= 332, nxpk= 0, iat= 939, 948, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  61 ASN  HB3    72 VAL  QQG     3.80             (#peak 331)
 &rst
  ixpk= 331, nxpk= 0, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  61 ASN  HD21   62 THR  HN      5.29             (#peak 829 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 829, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  61 ASN  HD21   72 VAL  QQG     4.93             (#peak 1493)
 &rst
  ixpk= 1493, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  61 ASN  HD22   72 VAL  QQG     4.72             (#peak 462)
 &rst
  ixpk= 462, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  61 ASN  HN     61 ASN  HB2     4.09             (#peak 521 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 521, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  61 ASN  HN     61 ASN  HB3     3.89             (#peak 520 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 520, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  61 ASN  HN     61 ASN  HD22    4.55             (#peak 734 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 734, nxpk= 0, iat= 934, 944, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  61 ASN  HN     62 THR  HB      5.02             (#peak 735 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 735, nxpk= 0, iat= 934, 952, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  61 ASN  HN     62 THR  HN      4.28             (#peak 524 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 524, nxpk= 0, iat= 934, 948, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  61 ASN  HN     75 LEU  QQD     4.09             (#peak 761)
 &rst
  ixpk= 761, nxpk= 0, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  62 THR  HA     62 THR  QG2     3.39             (#peak 1563 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1563, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 954, 955, 956,
 &end
#
#  62 THR  HA     63 GLU- HA      4.88             (#peak 1999 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1999, nxpk= 0, iat= 950, 964, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  62 THR  HA     63 GLU- HB2     4.60             (#peak 1997 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1997, nxpk= 0, iat= 950, 966, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  62 THR  HA     63 GLU- HG3     4.51             (#peak 1998 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1998, nxpk= 0, iat= 950, 970, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  62 THR  HA     63 GLU- HN      3.27             (#peak 887 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 887, nxpk= 0, iat= 950, 962, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  62 THR  HA     73 ALA  QB      5.08             (#peak 1529 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1529, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1129,1130,1131,
 &end
#
#  62 THR  HB     63 GLU- HN      4.05             (#peak 444 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 444, nxpk= 0, iat= 952, 962, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  62 THR  HB     75 LEU  QQD     4.81             (#peak 1158)
 &rst
  ixpk= 1158, nxpk= 0, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  62 THR  HN     62 THR  QG2     3.38             (#peak 1561 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1561, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 954, 955, 956,
 &end
#
#  62 THR  HN     63 GLU- HN      4.55             (#peak 668 #SUP 1.00)
 &rst
  ixpk= 668, nxpk= 0, iat= 948, 962, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  62 THR  HN     72 VAL  HA      5.27             (#peak 740 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 740, nxpk= 0, iat= 948,1111, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  62 THR  HN     72 VAL  QQG     3.81             (#peak 512)
 &rst
  ixpk= 512, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  62 THR  HN     73 ALA  QB      3.82             (#peak 510 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 510, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1129,1130,1131,
 &end
#
#  62 THR  HN     75 LEU  HG      5.50             (#peak 666 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 666, nxpk= 0, iat= 948,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 THR  QG2    63 GLU- HN      4.49             (#peak 1562 #SUP 0.79 #QF 0.51)
 &rst
  ixpk= 1562, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 954, 955, 956,
 &end
#
#  62 THR  QG2    64 MET  HB3     4.92             (#peak 1568 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1568, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 954, 955, 956,
 &end
#
#  62 THR  QG2    64 MET  HG2     4.00             (#peak 663 #SUP 0.44 #QF 0.44)
 &rst
  ixpk= 663, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 954, 955, 956,
 &end
#
#  62 THR  QG2    73 ALA  HN      3.96             (#peak 30 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 30, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 954, 955, 956,
 &end
#
#  63 GLU- HA     63 GLU- HG2     3.93             (#peak 471 #SUP 1.00)
 &rst
  ixpk= 471, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  63 GLU- HA     63 GLU- HG3     3.90             (#peak 475 #SUP 1.00)
 &rst
  ixpk= 475, nxpk= 0, iat= 964, 970, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  63 GLU- HA     64 MET  HA      4.88             (#peak 2004 #SUP 1.00)
 &rst
  ixpk= 2004, nxpk= 0, iat= 964, 979, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  63 GLU- HA     64 MET  HG3     4.42             (#peak 2011 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2011, nxpk= 0, iat= 964, 985, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  63 GLU- HA     64 MET  HN      3.37             (#peak 332 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 332, nxpk= 0, iat= 964, 977, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  63 GLU- HA     70 LEU  QD1     4.34             (#peak 2492 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2492, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1078,1079,1080,
 &end
#
#  63 GLU- HA     70 LEU  QD2     4.54             (#peak 1295 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1295, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1082,1083,1084,
 &end
#
#  63 GLU- HA     72 VAL  HA      4.15             (#peak 68 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 68, nxpk= 0, iat= 964,1111, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  63 GLU- HA     72 VAL  QG1     4.74             (#peak 66 #SUP 0.80 #QF 0.44)
 &rst
  ixpk= 66, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1115,1116,1117,
 &end
#
#  63 GLU- HA     72 VAL  QG2     4.74             (#peak 1501 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1501, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1119,1120,1121,
 &end
#
#  63 GLU- HA     72 VAL  QQG     3.87             (#peak 1501)
 &rst
  ixpk= 1501, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  63 GLU- HA     73 ALA  HN      4.37             (#peak 2394 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2394, nxpk= 0, iat= 964,1125, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  63 GLU- HB2    72 VAL  HA      5.16             (#peak 2434 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 2434, nxpk= 0, iat= 966,1111, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  63 GLU- HB3    64 MET  HN      3.44             (#peak 336 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 336, nxpk= 0, iat= 967, 977, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  63 GLU- HB3    70 LEU  QD1     3.36             (#peak 1228 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 1228, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1078,1079,1080,
 &end
#
#  63 GLU- HB3    70 LEU  QD2     3.19             (#peak 2630 #SUP 0.64 #QF 0.52)
 &rst
  ixpk= 2630, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1082,1083,1084,
 &end
#
#  63 GLU- HG2    64 MET  HN      4.20             (#peak 472 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 472, nxpk= 0, iat= 969, 977, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  63 GLU- HG2    70 LEU  QD1     3.62             (#peak 1227 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1227, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1078,1079,1080,
 &end
#
#  63 GLU- HG2    70 LEU  QD2     4.03             (#peak 478 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 478, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1082,1083,1084,
 &end
#
#  63 GLU- HG2    72 VAL  HA      4.82             (#peak 2421 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2421, nxpk= 0, iat= 969,1111, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  63 GLU- HG2    72 VAL  QG1     4.31             (#peak 474 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 474, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1115,1116,1117,
 &end
#
#  63 GLU- HG2    72 VAL  QG2     4.31             (#peak 2065 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2065, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1119,1120,1121,
 &end
#
#  63 GLU- HG2    72 VAL  QQG     3.70             (#peak 474)
 &rst
  ixpk= 474, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  63 GLU- HG2    83 ARG+ QD      4.07             (#peak 232)
 &rst
  ixpk= 232, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1300,1301,
 &end
#
#  63 GLU- HG3    64 MET  HN      4.78             (#peak 462 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 462, nxpk= 0, iat= 970, 977, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  63 GLU- HG3    70 LEU  QD1     3.78             (#peak 1232 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1232, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1078,1079,1080,
 &end
#
#  63 GLU- HG3    72 VAL  HA      4.36             (#peak 463 #SUP 0.87 #QF 0.35)
 &rst
  ixpk= 463, nxpk= 0, iat= 970,1111, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  63 GLU- HG3    72 VAL  QG1     4.59             (#peak 476 #SUP 1.00)
 &rst
  ixpk= 476, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1115,1116,1117,
 &end
#
#  63 GLU- HG3    72 VAL  QG2     4.59             (#peak 2066 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2066, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1119,1120,1121,
 &end
#
#  63 GLU- HG3    72 VAL  QQG     4.01             (#peak 2066)
 &rst
  ixpk= 2066, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  63 GLU- HN     63 GLU- HB2     3.15             (#peak 129 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 129, nxpk= 0, iat= 962, 966, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  63 GLU- HN     63 GLU- HB3     3.66             (#peak 608 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 608, nxpk= 0, iat= 962, 967, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  63 GLU- HN     63 GLU- HG2     4.16             (#peak 470 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 470, nxpk= 0, iat= 962, 969, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  63 GLU- HN     63 GLU- HG3     3.24             (#peak 465 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 465, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  63 GLU- HN     64 MET  HN      4.67             (#peak 670 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 670, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  63 GLU- HN     70 LEU  QD1     5.29             (#peak 2491 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2491, nxpk= 0, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1078,1079,1080,
 &end
#
#  64 MET  HA     64 MET  HG2     3.80             (#peak 659 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 659, nxpk= 0, iat= 979, 984, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  64 MET  HA     64 MET  HG3     3.79             (#peak 668 #SUP 1.00)
 &rst
  ixpk= 668, nxpk= 0, iat= 979, 985, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  64 MET  HA     65 LEU  HB2     4.10             (#peak 1390 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1390, nxpk= 0, iat= 979, 998, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  64 MET  HA     65 LEU  HN      3.05             (#peak 46 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 46, nxpk= 0, iat= 979, 994, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  64 MET  HA     70 LEU  QD1     5.15             (#peak 2003 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 2003, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1078,1079,1080,
 &end
#
#  64 MET  HB2    65 LEU  HN      3.90             (#peak 542 #SUP 1.00)
 &rst
  ixpk= 542, nxpk= 0, iat= 981, 994, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  64 MET  HB2    66 ILE  QG2     4.08             (#peak 209 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 209, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1019,1020,1021,
 &end
#
#  64 MET  HB2    70 LEU  QD2     5.50             (#peak 2551 #SUP 0.95 #QF 0.47)
 &rst
  ixpk= 2551, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1082,1083,1084,
 &end
#
#  64 MET  HB3    65 LEU  HN      3.78             (#peak 42 #SUP 1.00)
 &rst
  ixpk= 42, nxpk= 0, iat= 982, 994, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  64 MET  HG2    64 MET  QE      3.62             (#peak 661 #SUP 1.00 #QF 0.87)
 &rst
  ixpk= 661, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 988, 989, 990,
 &end
#
#  64 MET  HG2    65 LEU  HN      5.11             (#peak 658 #SUP 1.00)
 &rst
  ixpk= 658, nxpk= 0, iat= 984, 994, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  64 MET  HG2    70 LEU  QD1     5.15             (#peak 664 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 664, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1078,1079,1080,
 &end
#
#  64 MET  HG2    71 TYR  HN      4.72             (#peak 2012 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2012, nxpk= 0, iat= 984,1088, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  64 MET  HG2    71 TYR  QB      4.39             (#peak 2007)
 &rst
  ixpk= 2007, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1092,1093,
 &end
#
#  64 MET  HG2    71 TYR  QD      5.44             (#peak 2006 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2006, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1096,1105,
 &end
#
#  64 MET  HG2    73 ALA  QB      3.44             (#peak 662 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 662, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1129,1130,1131,
 &end
#
#  64 MET  HG3    64 MET  QE      2.88             (#peak 1617 #SUP 0.87 #QF 0.82)
 &rst
  ixpk= 1617, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 988, 989, 990,
 &end
#
#  64 MET  HG3    65 LEU  HN      4.28             (#peak 667 #SUP 1.00)
 &rst
  ixpk= 667, nxpk= 0, iat= 985, 994, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  64 MET  HG3    66 ILE  QG2     3.86             (#peak 208 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 208, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1019,1020,1021,
 &end
#
#  64 MET  HG3    70 LEU  QD1     4.44             (#peak 673 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 673, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1078,1079,1080,
 &end
#
#  64 MET  HG3    71 TYR  HN      4.54             (#peak 2013 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2013, nxpk= 0, iat= 985,1088, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  64 MET  HG3    71 TYR  QB      4.36             (#peak 2008)
 &rst
  ixpk= 2008, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1092,1093,
 &end
#
#  64 MET  HG3    73 ALA  QB      4.69             (#peak 671 #SUP 1.00)
 &rst
  ixpk= 671, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1129,1130,1131,
 &end
#
#  64 MET  HN     64 MET  HB3     4.16             (#peak 544 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 544, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  64 MET  HN     64 MET  HG2     3.70             (#peak 657 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 657, nxpk= 0, iat= 977, 984, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  64 MET  HN     64 MET  HG3     3.66             (#peak 666 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 666, nxpk= 0, iat= 977, 985, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  64 MET  HN     65 LEU  HN      4.64             (#peak 312 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 312, nxpk= 0, iat= 977, 994, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  64 MET  HN     70 LEU  HG      5.50             (#peak 2040 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2040, nxpk= 0, iat= 977,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  64 MET  HN     70 LEU  QD1     3.86             (#peak 1212 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1212, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1078,1079,1080,
 &end
#
#  64 MET  HN     70 LEU  QD2     3.41             (#peak 1292 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1292, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1082,1083,1084,
 &end
#
#  64 MET  HN     71 TYR  HN      4.07             (#peak 313 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 313, nxpk= 0, iat= 977,1088, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  64 MET  HN     71 TYR  QB      5.04             (#peak 2045)
 &rst
  ixpk= 2045, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1092,1093,
 &end
#
#  64 MET  HN     73 ALA  HN      4.54             (#peak 26 #SUP 1.00 #QF 0.82)
 &rst
  ixpk= 26, nxpk= 0, iat= 977,1125, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  64 MET  HN     73 ALA  QB      5.50             (#peak 2625 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 2625, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#  64 MET  QE    111 ATP  H2      5.50             (#peak 2014 #SUP 0.27 #QF 0.27)
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     66 ILE  HG12    5.19             (#peak 2244 #SUP 1.00)
 &rst
  ixpk= 2244, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     66 ILE  QD1     5.50             (#peak 2033 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2033, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 988, 989, 990,
 igr2=1026,1027,1028,
 &end
#
#  64 MET  QE     66 ILE  QG2     3.15             (#peak 210 #SUP 1.00)
 &rst
  ixpk= 210, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 988, 989, 990,
 igr2=1019,1020,1021,
 &end
#
#  64 MET  QE     71 TYR  HA      4.17             (#peak 1613 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1613, nxpk= 0, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     71 TYR  HB2     3.28             (#peak 1615 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1615, nxpk= 0, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     71 TYR  HB3     3.28             (#peak 1616 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1616, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     71 TYR  HN      4.36             (#peak 1604 #SUP 1.00)
 &rst
  ixpk= 1604, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     71 TYR  QD      3.12             (#peak 1610 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1610, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 988, 989, 990,
 igr2=1096,1105,
 &end
#
#  64 MET  QE     71 TYR  QE      5.25             (#peak 1727 #SUP 0.93 #QF 0.86)
 &rst
  ixpk= 1727, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 988, 989, 990,
 igr2=1098,1103,
 &end
#
#  64 MET  QE     73 ALA  HA      4.10             (#peak 1614 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1614, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     73 ALA  HN      4.20             (#peak 1609 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1609, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     73 ALA  QB      3.21             (#peak 1618 #SUP 1.00)
 &rst
  ixpk= 1618, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 988, 989, 990,
 igr2=1129,1130,1131,
 &end
#
#  64 MET  QE     80 GLN  HA      4.35             (#peak 1612 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1612, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     80 GLN  HN      5.50             (#peak 770 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 770, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 988, 989, 990,
 &end
#
#  64 MET  QE     80 GLN  QB      3.19             (#peak 1617)
 &rst
  ixpk= 1617, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 988, 989, 990,
 igr2=1232,1233,
 &end
#
#  64 MET  QE     92 ILE  QG2     4.39             (#peak 2592 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 2592, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 988, 989, 990,
 igr2=1467,1468,1469,
 &end
#
#  65 LEU  HA     65 LEU  HG      3.75             (#peak 2425 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2425, nxpk= 0, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  65 LEU  HA     65 LEU  QD1     3.28             (#peak 2426 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2426, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1003,1004,1005,
 &end
#
#  65 LEU  HA     65 LEU  QD2     3.03             (#peak 2427 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 2427, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2=1007,1008,1009,
 &end
#
#  65 LEU  HB2    65 LEU  QD1     3.31             (#peak 272 #SUP 1.00)
 &rst
  ixpk= 272, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1003,1004,1005,
 &end
#
#  65 LEU  HB2    65 LEU  QD2     2.82             (#peak 1334 #SUP 0.96 #QF 0.54)
 &rst
  ixpk= 1334, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2=1007,1008,1009,
 &end
#
#  65 LEU  HB2    66 ILE  HN      4.30             (#peak 264 #SUP 1.00)
 &rst
  ixpk= 264, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  65 LEU  HB2    70 LEU  QD2     4.17             (#peak 266 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 266, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1082,1083,1084,
 &end
#
#  65 LEU  HB3    65 LEU  QD1     3.22             (#peak 268 #SUP 1.00)
 &rst
  ixpk= 268, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1003,1004,1005,
 &end
#
#  65 LEU  HB3    65 LEU  QD2     3.19             (#peak 1332 #SUP 1.00)
 &rst
  ixpk= 1332, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1007,1008,1009,
 &end
#
#  65 LEU  HB3    66 ILE  HN      4.32             (#peak 262 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 262, nxpk= 0, iat= 999,1013, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  65 LEU  HG     66 ILE  HN      4.35             (#peak 1008 #SUP 1.00)
 &rst
  ixpk= 1008, nxpk= 0, iat=1001,1013, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  65 LEU  HN     65 LEU  HB2     3.31             (#peak 47 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 47, nxpk= 0, iat= 994, 998, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  65 LEU  HN     65 LEU  HB3     3.33             (#peak 43 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 43, nxpk= 0, iat= 994, 999, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  65 LEU  HN     65 LEU  QD1     4.41             (#peak 1188 #SUP 1.00)
 &rst
  ixpk= 1188, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1003,1004,1005,
 &end
#
#  65 LEU  HN     65 LEU  QD2     3.74             (#peak 1328 #SUP 1.00)
 &rst
  ixpk= 1328, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1007,1008,1009,
 &end
#
#  65 LEU  HN     66 ILE  HN      4.62             (#peak 674 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 674, nxpk= 0, iat= 994,1013, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  65 LEU  HN     66 ILE  QG2     4.28             (#peak 202 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 202, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1019,1020,1021,
 &end
#
#  65 LEU  HN     70 LEU  QD2     4.62             (#peak 1293 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1293, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1082,1083,1084,
 &end
#
#  65 LEU  QD1    66 ILE  HN      3.62             (#peak 1187 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1187, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    68 GLY  HA2     3.80             (#peak 1191 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1191, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    68 GLY  HA3     4.78             (#peak 1192 #SUP 1.00)
 &rst
  ixpk= 1192, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    68 GLY  HN      4.05             (#peak 1189 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1189, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    69 PHE  HN      4.26             (#peak 302 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 302, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    70 LEU  HA      3.76             (#peak 1190 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1190, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    70 LEU  HN      4.74             (#peak 1177 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1177, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD1    71 TYR  HN      5.09             (#peak 1176 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1176, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1003,1004,1005,
 &end
#
#  65 LEU  QD2    66 ILE  HN      3.48             (#peak 1327 #SUP 1.00)
 &rst
  ixpk= 1327, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1007,1008,1009,
 &end
#
#  65 LEU  QD2    69 PHE  HA      4.83             (#peak 2039 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2039, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1007,1008,1009,
 &end
#
#  65 LEU  QD2    69 PHE  HN      4.27             (#peak 303 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 303, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1007,1008,1009,
 &end
#
#  65 LEU  QD2    70 LEU  HA      3.46             (#peak 1329 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1329, nxpk= 0, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1007,1008,1009,
 &end
#
#  65 LEU  QD2    70 LEU  HB2     3.42             (#peak 1333 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 1333, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1007,1008,1009,
 &end
#
#  65 LEU  QD2    70 LEU  HN      4.48             (#peak 1323 #SUP 1.00)
 &rst
  ixpk= 1323, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1007,1008,1009,
 &end
#
#  65 LEU  QD2    71 TYR  HN      4.21             (#peak 1322 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1322, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1007,1008,1009,
 &end
#
#  66 ILE  HA     66 ILE  QD1     4.09             (#peak 95 #SUP 1.00)
 &rst
  ixpk= 95, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1026,1027,1028,
 &end
#
#  66 ILE  HA     66 ILE  QG2     3.60             (#peak 206 #SUP 1.00)
 &rst
  ixpk= 206, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1019,1020,1021,
 &end
#
#  66 ILE  HA     67 ALA  HA      4.41             (#peak 893 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 893, nxpk= 0, iat=1015,1034, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  66 ILE  HA     67 ALA  QB      4.77             (#peak 890 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 890, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1036,1037,1038,
 &end
#
#  66 ILE  HA     68 GLY  HN      4.67             (#peak 549 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 549, nxpk= 0, iat=1015,1042, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  66 ILE  HA     69 PHE  HN      4.87             (#peak 297 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 297, nxpk= 0, iat=1015,1049, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  66 ILE  HA     71 TYR  QE      5.50             (#peak 2241 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 2241, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1098,1103,
 &end
#
#  66 ILE  HB     66 ILE  QD1     3.78             (#peak 402 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 402, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1026,1027,1028,
 &end
#
#  66 ILE  HB     71 TYR  QD      4.38             (#peak 2057 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 2057, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1096,1105,
 &end
#
#  66 ILE  HB     71 TYR  QE      3.90             (#peak 401 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 401, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1098,1103,
 &end
#
#  66 ILE  HG12   71 TYR  QD      4.46             (#peak 2026 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2026, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1096,1105,
 &end
#
#  66 ILE  HG13   69 PHE  HA      4.56             (#peak 2430 #SUP 0.39 #QF 0.39)
 &rst
  ixpk= 2430, nxpk= 0, iat=1024,1051, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  66 ILE  HG13   71 TYR  QD      4.82             (#peak 2023 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2023, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1096,1105,
 &end
#
#  66 ILE  HN     66 ILE  HB      4.11             (#peak 22 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 22, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  66 ILE  HN     66 ILE  HG12    4.56             (#peak 672 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 672, nxpk= 0, iat=1013,1023, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  66 ILE  HN     66 ILE  HG13    4.13             (#peak 18 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 18, nxpk= 0, iat=1013,1024, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  66 ILE  HN     66 ILE  QD1     4.02             (#peak 92 #SUP 1.00)
 &rst
  ixpk= 92, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1026,1027,1028,
 &end
#
#  66 ILE  HN     66 ILE  QG2     3.61             (#peak 200 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 200, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1019,1020,1021,
 &end
#
#  66 ILE  HN     69 PHE  HN      3.70             (#peak 292 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 292, nxpk= 0, iat=1013,1049, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  66 ILE  HN     69 PHE  QB      5.34             (#peak 2487)
 &rst
  ixpk= 2487, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1053,1054,
 &end
#
#  66 ILE  HN     70 LEU  HA      4.30             (#peak 21 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 21, nxpk= 0, iat=1013,1071, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  66 ILE  HN     70 LEU  QD2     4.79             (#peak 1290 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1290, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1082,1083,1084,
 &end
#
#  66 ILE  HN     71 TYR  HN      5.23             (#peak 675 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 675, nxpk= 0, iat=1013,1088, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  66 ILE  HN     71 TYR  QD      5.14             (#peak 2063 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2063, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1096,1105,
 &end
#
#  66 ILE  HN     71 TYR  QE      5.50             (#peak 1725 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1725, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1098,1103,
 &end
#
#  66 ILE  QD1   111 ATP  H1'     4.56             (#peak 2030 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2030, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1   111 ATP  H1'     5.00 
 &rst
  ixpk= 2030, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1   111 ATP  H2      3.81             (#peak 93 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 93, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1   111 ATP  H2      5.00 
 &rst
  ixpk= 93, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1   111 ATP  H8      4.91             (#peak 2032 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 2032, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1    67 ALA  HA      4.15             (#peak 96 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 96, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1    67 ALA  HN      3.74             (#peak 91 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 91, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1    67 ALA  QB      2.98             (#peak 1667 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1667, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1026,1027,1028,
 igr2=1036,1037,1038,
 &end
#
#  66 ILE  QD1    69 PHE  HN      4.78             (#peak 764 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 764, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1026,1027,1028,
 &end
#
#  66 ILE  QD1    69 PHE  QD      4.78             (#peak 2031 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2031, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1026,1027,1028,
 igr2=1057,1065,
 &end
#
#  66 ILE  QD1    71 TYR  QD      4.90             (#peak 2053 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2053, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1026,1027,1028,
 igr2=1096,1105,
 &end
#
#  66 ILE  QD1    71 TYR  QE      3.68             (#peak 94 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 94, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1026,1027,1028,
 igr2=1098,1103,
 &end
#
#  66 ILE  QG2   111 ATP  H2      4.20             (#peak 203 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 203, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2   111 ATP  H2      5.00 
 &rst
  ixpk= 203, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2    66 ILE  HG12    2.78             (#peak 212 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 212, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2    66 ILE  HG13    3.08             (#peak 213 #SUP 1.00)
 &rst
  ixpk= 213, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2    66 ILE  QD1     2.80             (#peak 214 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 214, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1019,1020,1021,
 igr2=1026,1027,1028,
 &end
#
#  66 ILE  QG2    71 TYR  HB2     4.47             (#peak 207 #SUP 1.00)
 &rst
  ixpk= 207, nxpk= 0, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2    71 TYR  HB3     4.47             (#peak 2246 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2246, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2    71 TYR  HN      4.69             (#peak 2029 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2029, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1019,1020,1021,
 &end
#
#  66 ILE  QG2    71 TYR  QB      3.86             (#peak 207)
 &rst
  ixpk= 207, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1019,1020,1021,
 igr2=1092,1093,
 &end
#
#  66 ILE  QG2    71 TYR  QD      4.53             (#peak 2054 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2054, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1019,1020,1021,
 igr2=1096,1105,
 &end
#
#  66 ILE  QG2    71 TYR  QE      3.09             (#peak 205 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 205, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1019,1020,1021,
 igr2=1098,1103,
 &end
#
#  67 ALA  HA     68 GLY  HA3     4.98             (#peak 2034 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2034, nxpk= 0, iat=1034,1045, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  67 ALA  HA     68 GLY  HN      3.56             (#peak 1488 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1488, nxpk= 0, iat=1034,1042, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  67 ALA  HN     67 ALA  QB      3.01             (#peak 1663 #SUP 1.00)
 &rst
  ixpk= 1663, nxpk= 0, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1036,1037,1038,
 &end
#
#  67 ALA  HN     68 GLY  HN      3.90             (#peak 553 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 553, nxpk= 0, iat=1032,1042, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  67 ALA  QB    111 ATP  H1'     4.22             (#peak 1662 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 1662, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB    111 ATP  H1'     5.00 
 &rst
  ixpk= 1662, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB    111 ATP  H2      5.00 
 &rst
  ixpk= 1662, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB     68 GLY  HA2     4.53             (#peak 2429 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 2429, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB     68 GLY  HA3     4.11             (#peak 1666 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1666, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB     68 GLY  HN      3.25             (#peak 1664 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1664, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB     69 PHE  HN      4.62             (#peak 301 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 301, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1036,1037,1038,
 &end
#
#  67 ALA  QB     69 PHE  QD      4.00             (#peak 19 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 19, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1036,1037,1038,
 igr2=1057,1065,
 &end
#
#  67 ALA  QB     69 PHE  QE      5.19             (#peak 2553 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2553, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1036,1037,1038,
 igr2=1059,1063,
 &end
#
#  67 ALA  QB     71 TYR  QE      5.27             (#peak 2036 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 2036, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1036,1037,1038,
 igr2=1098,1103,
 &end
#
#  68 GLY  HA2    69 PHE  HN      3.55             (#peak 298 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 298, nxpk= 0, iat=1044,1049, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  69 PHE  HA     69 PHE  QD      3.77             (#peak 1235 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1235, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1057,1065,
 &end
#
#  69 PHE  HA     70 LEU  HB2     4.46             (#peak 2312 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 2312, nxpk= 0, iat=1051,1073, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  69 PHE  HA     70 LEU  HN      3.39             (#peak 167 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 167, nxpk= 0, iat=1051,1069, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  69 PHE  HB2    70 LEU  HN      4.10             (#peak 301 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 301, nxpk= 0, iat=1053,1069, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  69 PHE  HB2    71 TYR  QE      4.43             (#peak 1726 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1726, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1098,1103,
 &end
#
#  69 PHE  HB3    70 LEU  HN      4.10             (#peak 168 #SUP 1.00)
 &rst
  ixpk= 168, nxpk= 0, iat=1054,1069, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  69 PHE  HB3    71 TYR  QE      4.43             (#peak 294 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 294, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1098,1103,
 &end
#
#  69 PHE  HN     69 PHE  HB2     3.95             (#peak 299 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 299, nxpk= 0, iat=1049,1053, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  69 PHE  HN     69 PHE  HB3     3.95             (#peak 300 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 300, nxpk= 0, iat=1049,1054, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  69 PHE  HN     69 PHE  QB      3.27             (#peak 300)
 &rst
  ixpk= 300, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1053,1054,
 &end
#
#  69 PHE  HN     69 PHE  QD      3.84             (#peak 294 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 294, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1057,1065,
 &end
#
#  69 PHE  HN     70 LEU  HN      4.48             (#peak 293 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 293, nxpk= 0, iat=1049,1069, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  69 PHE  HN     71 TYR  QE      5.38             (#peak 1723 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1723, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1098,1103,
 &end
#
#  69 PHE  QB     71 TYR  QE      3.83             (#peak 294)
 &rst
  ixpk= 294, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1053,1054,
 igr2=1098,1103,
 &end
#
#  69 PHE  QD     70 LEU  HN      4.18             (#peak 15 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 15, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1057,1065,
 &end
#
#  69 PHE  QD     71 TYR  QE      4.63             (#peak 1722 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1722, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1057,1065,
 igr2=1098,1103,
 &end
#
#  69 PHE  QD     82 ARG+ QD      4.53             (#peak 2150)
 &rst
  ixpk= 2150, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1057,1065,
 igr2=1276,1277,
 &end
#
#  69 PHE  QE     82 ARG+ QD      5.32             (#peak 2488)
 &rst
  ixpk= 2488, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1059,1063,
 igr2=1276,1277,
 &end
#
#  70 LEU  HA     70 LEU  HG      3.83             (#peak 1005 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1005, nxpk= 0, iat=1071,1076, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  70 LEU  HA     70 LEU  QD1     3.32             (#peak 1225 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 1225, nxpk= 0, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1078,1079,1080,
 &end
#
#  70 LEU  HA     70 LEU  QD2     3.08             (#peak 1296 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1296, nxpk= 0, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1082,1083,1084,
 &end
#
#  70 LEU  HB2    70 LEU  QD2     2.83             (#peak 1298 #SUP 0.98 #QF 0.52)
 &rst
  ixpk= 1298, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2=1082,1083,1084,
 &end
#
#  70 LEU  HB3    70 LEU  QD1     2.70             (#peak 1231 #SUP 0.95 #QF 0.60)
 &rst
  ixpk= 1231, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1078,1079,1080,
 &end
#
#  70 LEU  HB3    71 TYR  HN      4.07             (#peak 38 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 38, nxpk= 0, iat=1074,1088, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  70 LEU  HB3    83 ARG+ HD2     4.82             (#peak 255 #SUP 0.44 #QF 0.25)
 &rst
  ixpk= 255, nxpk= 0, iat=1074,1300, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  70 LEU  HB3    83 ARG+ HD3     4.82             (#peak 255 #SUP 0.44 #QF 0.25)
 &rst
  ixpk= 255, nxpk= 0, iat=1074,1301, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  70 LEU  HB3    83 ARG+ QD      4.12             (#peak 255)
 &rst
  ixpk= 255, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1300,1301,
 &end
#
#  70 LEU  HG     71 TYR  HN      4.80             (#peak 1006 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1006, nxpk= 0, iat=1076,1088, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  70 LEU  HG     83 ARG+ HD2     5.50             (#peak 2490 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 2490, nxpk= 0, iat=1076,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  70 LEU  HG     83 ARG+ HD3     5.50             (#peak 2490 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 2490, nxpk= 0, iat=1076,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  70 LEU  HG     83 ARG+ HG3     3.70             (#peak 1032 #SUP 0.46 #QF 0.46)
 &rst
  ixpk= 1032, nxpk= 0, iat=1076,1298, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  70 LEU  HG     83 ARG+ QD      4.77             (#peak 2490)
 &rst
  ixpk= 2490, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1300,1301,
 &end
#
#  70 LEU  HN     70 LEU  HB2     3.34             (#peak 169 #SUP 0.71 #QF 0.47)
 &rst
  ixpk= 169, nxpk= 0, iat=1069,1073, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  70 LEU  HN     70 LEU  HB3     3.67             (#peak 169 #SUP 0.71 #QF 0.47)
 &rst
  ixpk= 169, nxpk= 0, iat=1069,1074, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  70 LEU  HN     70 LEU  QD1     4.29             (#peak 1224 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1224, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1078,1079,1080,
 &end
#
#  70 LEU  HN     71 TYR  HN      4.85             (#peak 680 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 680, nxpk= 0, iat=1069,1088, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  70 LEU  HN     71 TYR  QD      5.45             (#peak 2060 #SUP 0.93 #QF 0.60)
 &rst
  ixpk= 2060, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1096,1105,
 &end
#
#  70 LEU  HN     82 ARG+ QD      5.22             (#peak 2152)
 &rst
  ixpk= 2152, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1276,1277,
 &end
#
#  70 LEU  HN     82 ARG+ QG      5.34             (#peak 2633)
 &rst
  ixpk= 2633, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1273,1274,
 &end
#
#  70 LEU  QD1    71 TYR  HA      3.70             (#peak 1225 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 1225, nxpk= 0, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1078,1079,1080,
 &end
#
#  70 LEU  QD1    71 TYR  HN      3.52             (#peak 1223 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1223, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1078,1079,1080,
 &end
#
#  70 LEU  QD1    83 ARG+ HG3     3.20             (#peak 1230 #SUP 0.90 #QF 0.78)
 &rst
  ixpk= 1230, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1078,1079,1080,
 &end
#
#  70 LEU  QD1    83 ARG+ QB      4.29             (#peak 1229)
 &rst
  ixpk= 1229, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1078,1079,1080,
 igr2=1294,1295,
 &end
#
#  70 LEU  QD1    83 ARG+ QD      3.26             (#peak 2637)
 &rst
  ixpk= 2637, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1078,1079,1080,
 igr2=1300,1301,
 &end
#
#  70 LEU  QD2    71 TYR  HN      3.28             (#peak 1291 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1291, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1082,1083,1084,
 &end
#
#  71 TYR  HA     71 TYR  QD      4.41             (#peak 2059 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2059, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1096,1105,
 &end
#
#  71 TYR  HA     72 VAL  QQG     4.02             (#peak 1462)
 &rst
  ixpk= 1462, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  71 TYR  HA     82 ARG+ HA      4.72             (#peak 2137 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2137, nxpk= 0, iat=1090,1268, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  71 TYR  HA     83 ARG+ HN      4.55             (#peak 799 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 799, nxpk= 0, iat=1090,1290, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  71 TYR  HB2    72 VAL  HN      4.61             (#peak 681 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 681, nxpk= 0, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  71 TYR  HB3    72 VAL  HN      4.61             (#peak 682 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 682, nxpk= 0, iat=1093,1109, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  71 TYR  HN     71 TYR  QD      4.30             (#peak 36 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 36, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1096,1105,
 &end
#
#  71 TYR  QB     72 VAL  HN      4.02             (#peak 681)
 &rst
  ixpk= 681, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1092,1093,
 &end
#
#  71 TYR  QD    111 ATP  H2      5.00 
 &rst
  ixpk= 681, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD    111 ATP  H8      5.00 
 &rst
  ixpk= 681, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD    111 ATP  H8      5.50             (#peak 2060 #SUP 0.93 #QF 0.60)
 &rst
  ixpk= 2060, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     72 VAL  HN      4.34             (#peak 266 #SUP 0.94 #QF 0.54)
 &rst
  ixpk= 266, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     72 VAL  QQG     4.85             (#peak 2055)
 &rst
  ixpk= 2055, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1096,1105,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  71 TYR  QD     81 TYR  HA      4.80             (#peak 53 #SUP 0.99 #QF 0.41)
 &rst
  ixpk= 53, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     81 TYR  HN      5.17             (#peak 2061 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 2061, nxpk= 0, iat=  -1,1245, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     82 ARG+ HA      4.95             (#peak 2138 #SUP 0.92 #QF 0.83)
 &rst
  ixpk= 2138, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     82 ARG+ HG2     5.48             (#peak 2144 #SUP 0.92 #QF 0.25)
 &rst
  ixpk= 2144, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     82 ARG+ HG3     5.48             (#peak 2145 #SUP 0.94 #QF 0.31)
 &rst
  ixpk= 2145, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1096,1105,
 &end
#
#  71 TYR  QD     82 ARG+ QG      4.68             (#peak 2144)
 &rst
  ixpk= 2144, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1096,1105,
 igr2=1273,1274,
 &end
#
#  71 TYR  QD     83 ARG+ HN      5.40             (#peak 800 #SUP 0.98 #QF 0.79)
 &rst
  ixpk= 800, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1096,1105,
 &end
#
#  71 TYR  QE    111 ATP  H8      4.37             (#peak 1724 #SUP 0.51 #QF 0.51)
 &rst
  ixpk= 1724, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1098,1103,
 &end
#
#  71 TYR  QE    111 ATP  H8      5.00 
 &rst
  ixpk= 1724, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1098,1103,
 &end
#
#  71 TYR  QE     82 ARG+ HB2     5.50             (#peak 1727 #SUP 0.93 #QF 0.86)
 &rst
  ixpk= 1727, nxpk= 0, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1098,1103,
 &end
#
#  71 TYR  QE     82 ARG+ HB3     5.50             (#peak 2142 #SUP 0.76 #QF 0.47)
 &rst
  ixpk= 2142, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1098,1103,
 &end
#
#  71 TYR  QE     82 ARG+ QB      4.85             (#peak 2142)
 &rst
  ixpk= 2142, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1098,1103,
 igr2=1270,1271,
 &end
#
#  71 TYR  QE     82 ARG+ QD      4.83             (#peak 73)
 &rst
  ixpk= 73, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1098,1103,
 igr2=1276,1277,
 &end
#
#  71 TYR  QE     82 ARG+ QG      5.34             (#peak 2145)
 &rst
  ixpk= 2145, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1098,1103,
 igr2=1273,1274,
 &end
#
#  72 VAL  HA     72 VAL  QG1     3.34             (#peak 1463 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1463, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1115,1116,1117,
 &end
#
#  72 VAL  HA     72 VAL  QG2     3.34             (#peak 1496 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1496, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1119,1120,1121,
 &end
#
#  72 VAL  HA     73 ALA  QB      4.25             (#peak 1530 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1530, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1129,1130,1131,
 &end
#
#  72 VAL  HA     81 TYR  QD      5.50             (#peak 2018 #SUP 0.29 #QF 0.29)
 &rst
  ixpk= 2018, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1253,1262,
 &end
#
#  72 VAL  HB     73 ALA  HN      4.71             (#peak 569 #SUP 0.91 #QF 0.87)
 &rst
  ixpk= 569, nxpk= 0, iat=1113,1125, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  72 VAL  HB     80 GLN  HA      5.50             (#peak 2109 #SUP 0.98 #QF 0.20)
 &rst
  ixpk= 2109, nxpk= 0, iat=1113,1230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  72 VAL  HB     81 TYR  HN      5.07             (#peak 569 #SUP 0.91 #QF 0.87)
 &rst
  ixpk= 569, nxpk= 0, iat=1113,1245, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  72 VAL  HB     81 TYR  QD      4.93             (#peak 2122 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2122, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1253,1262,
 &end
#
#  72 VAL  HB     81 TYR  QE      4.94             (#peak 2130 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2130, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1255,1260,
 &end
#
#  72 VAL  HN     72 VAL  HB      3.99             (#peak 568 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 568, nxpk= 0, iat=1109,1113, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  72 VAL  HN     72 VAL  QG1     4.02             (#peak 1456 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1456, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1115,1116,1117,
 &end
#
#  72 VAL  HN     72 VAL  QG2     4.02             (#peak 1491 #SUP 1.00)
 &rst
  ixpk= 1491, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1119,1120,1121,
 &end
#
#  72 VAL  HN     72 VAL  QQG     3.10             (#peak 1456)
 &rst
  ixpk= 1456, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  HN     73 ALA  HN      4.97             (#peak 26 #SUP 1.00 #QF 0.82)
 &rst
  ixpk= 26, nxpk= 0, iat=1109,1125, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  72 VAL  HN     73 ALA  QB      5.50             (#peak 2625 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 2625, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#  72 VAL  HN     81 TYR  HN      4.05             (#peak 269 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 269, nxpk= 0, iat=1109,1245, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  72 VAL  HN     81 TYR  QD      4.65             (#peak 266 #SUP 0.94 #QF 0.54)
 &rst
  ixpk= 266, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1253,1262,
 &end
#
#  72 VAL  HN     82 ARG+ HA      4.78             (#peak 683 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 683, nxpk= 0, iat=1109,1268, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  72 VAL  HN     83 ARG+ HN      4.69             (#peak 684 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 684, nxpk= 0, iat=1109,1290, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  72 VAL  QG1    81 TYR  QD      4.40             (#peak 1459 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1459, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1115,1116,1117,
 igr2=1253,1262,
 &end
#
#  72 VAL  QG1    81 TYR  QE      3.58             (#peak 1460 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1460, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1115,1116,1117,
 igr2=1255,1260,
 &end
#
#  72 VAL  QG1    83 ARG+ HG2     4.34             (#peak 1469 #SUP 0.98 #QF 0.47)
 &rst
  ixpk= 1469, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1115,1116,1117,
 &end
#
#  72 VAL  QG2    81 TYR  QD      4.40             (#peak 1498 #SUP 1.00)
 &rst
  ixpk= 1498, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1119,1120,1121,
 igr2=1253,1262,
 &end
#
#  72 VAL  QG2    81 TYR  QE      3.58             (#peak 1499 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1499, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1119,1120,1121,
 igr2=1255,1260,
 &end
#
#  72 VAL  QG2    83 ARG+ HG2     4.34             (#peak 2068 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2068, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1119,1120,1121,
 &end
#
#  72 VAL  QQG    73 ALA  HA      4.53             (#peak 1495)
 &rst
  ixpk= 1495, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    73 ALA  HN      3.39             (#peak 1492)
 &rst
  ixpk= 1492, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    73 ALA  QB      4.44             (#peak 1534)
 &rst
  ixpk= 1534, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1115,1116,1117,1119,1120,1121,
 igr2=1129,1130,1131,
 &end
#
#  72 VAL  QQG    74 ASP- HA      3.97             (#peak 1494)
 &rst
  ixpk= 1494, nxpk= 0, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    74 ASP- HB2     4.17             (#peak 1503)
 &rst
  ixpk= 1503, nxpk= 0, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    74 ASP- HB3     5.44             (#peak 2436)
 &rst
  ixpk= 2436, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    74 ASP- HN      4.53             (#peak 1490)
 &rst
  ixpk= 1490, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    81 TYR  HN      4.37             (#peak 1457)
 &rst
  ixpk= 1457, nxpk= 0, iat=  -1,1245, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    81 TYR  QD      3.50             (#peak 1459)
 &rst
  ixpk= 1459, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1115,1116,1117,1119,1120,1121,
 igr2=1253,1262,
 &end
#
#  72 VAL  QQG    81 TYR  QE      3.14             (#peak 1460)
 &rst
  ixpk= 1460, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1115,1116,1117,1119,1120,1121,
 igr2=1255,1260,
 &end
#
#  72 VAL  QQG    83 ARG+ HA      3.47             (#peak 1464)
 &rst
  ixpk= 1464, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    83 ARG+ HG2     3.17             (#peak 1469)
 &rst
  ixpk= 1469, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    83 ARG+ HN      3.87             (#peak 1458)
 &rst
  ixpk= 1458, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1115,1116,1117,1119,1120,1121,
 &end
#
#  72 VAL  QQG    83 ARG+ QB      3.88             (#peak 1470)
 &rst
  ixpk= 1470, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1115,1116,1117,1119,1120,1121,
 igr2=1294,1295,
 &end
#
#  72 VAL  QQG    83 ARG+ QD      3.56             (#peak 231)
 &rst
  ixpk= 231, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1115,1116,1117,1119,1120,1121,
 igr2=1300,1301,
 &end
#
#  73 ALA  HA     80 GLN  HA      4.64             (#peak 2070 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2070, nxpk= 0, iat=1127,1230, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  73 ALA  HA     92 ILE  QD1     4.12             (#peak 107 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 107, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1474,1475,1476,
 &end
#
#  73 ALA  HA     92 ILE  QG2     5.20             (#peak 2438 #SUP 0.49 #QF 0.49)
 &rst
  ixpk= 2438, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1467,1468,1469,
 &end
#
#  73 ALA  HN     73 ALA  QB      3.26             (#peak 1526 #SUP 1.00)
 &rst
  ixpk= 1526, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1129,1130,1131,
 &end
#
#  73 ALA  HN     74 ASP- HN      5.38             (#peak 690 #SUP 0.96 #QF 0.93)
 &rst
  ixpk= 690, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  73 ALA  QB     74 ASP- HN      3.58             (#peak 1525 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1525, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1129,1130,1131,
 &end
#
#  73 ALA  QB     78 MET  QE      5.50             (#peak 1531 #SUP 0.94 #QF 0.86)
 &rst
  ixpk= 1531, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1129,1130,1131,
 igr2=1206,1207,1208,
 &end
#
#  73 ALA  QB     80 GLN  HA      4.26             (#peak 1527 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1527, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1129,1130,1131,
 &end
#
#  73 ALA  QB     80 GLN  QB      5.34             (#peak 1531)
 &rst
  ixpk= 1531, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1129,1130,1131,
 igr2=1232,1233,
 &end
#
#  73 ALA  QB     92 ILE  QG2     4.55             (#peak 1533 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 1533, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1129,1130,1131,
 igr2=1467,1468,1469,
 &end
#
#  74 ASP- HB2    75 LEU  HN      5.07             (#peak 2080 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 2080, nxpk= 0, iat=1139,1147, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  74 ASP- HB2    79 VAL  HN      4.47             (#peak 492 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 492, nxpk= 0, iat=1139,1212, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  74 ASP- HB2    79 VAL  QG2     3.46             (#peak 1520 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1520, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1222,1223,1224,
 &end
#
#  74 ASP- HB2    81 TYR  QE      4.31             (#peak 79 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 79, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1255,1260,
 &end
#
#  74 ASP- HB3    79 VAL  HN      4.35             (#peak 491 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 491, nxpk= 0, iat=1140,1212, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  74 ASP- HB3    79 VAL  QG1     4.64             (#peak 1422 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1422, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1218,1219,1220,
 &end
#
#  74 ASP- HB3    79 VAL  QG2     3.37             (#peak 1516 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1516, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1222,1223,1224,
 &end
#
#  74 ASP- HB3    81 TYR  QE      4.58             (#peak 2132 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2132, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1255,1260,
 &end
#
#  74 ASP- HN     79 VAL  HN      4.33             (#peak 482 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 482, nxpk= 0, iat=1135,1212, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  74 ASP- HN     79 VAL  QG2     3.85             (#peak 1505 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1505, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1222,1223,1224,
 &end
#
#  74 ASP- HN     81 TYR  HN      5.50             (#peak 690 #SUP 0.96 #QF 0.93)
 &rst
  ixpk= 690, nxpk= 0, iat=1135,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  74 ASP- HN     81 TYR  QE      4.87             (#peak 2133 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2133, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1255,1260,
 &end
#
#  74 ASP- HN     92 ILE  QD1     4.18             (#peak 105 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 105, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1474,1475,1476,
 &end
#
#  75 LEU  HA     75 LEU  HG      4.11             (#peak 910 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 910, nxpk= 0, iat=1149,1154, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  75 LEU  HA     75 LEU  QD1     4.05             (#peak 1155 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1155, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1156,1157,1158,
 &end
#
#  75 LEU  HA     75 LEU  QD2     4.05             (#peak 2628 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2628, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1160,1161,1162,
 &end
#
#  75 LEU  HA     75 LEU  QQD     2.99             (#peak 2628)
 &rst
  ixpk= 2628, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  75 LEU  HB2    75 LEU  QD1     3.50             (#peak 1162 #SUP 0.99 #QF 0.69)
 &rst
  ixpk= 1162, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1156,1157,1158,
 &end
#
#  75 LEU  HB2    75 LEU  QD2     3.50             (#peak 2630 #SUP 0.64 #QF 0.52)
 &rst
  ixpk= 2630, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1160,1161,1162,
 &end
#
#  75 LEU  HB2    75 LEU  QQD     3.00             (#peak 1162)
 &rst
  ixpk= 1162, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  75 LEU  HB3    78 MET  QE      3.68             (#peak 1643 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1643, nxpk= 0, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1206,1207,1208,
 &end
#
#  75 LEU  HN     75 LEU  HG      4.12             (#peak 909 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 909, nxpk= 0, iat=1147,1154, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  75 LEU  HN     75 LEU  QD1     3.94             (#peak 1150 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1150, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1156,1157,1158,
 &end
#
#  75 LEU  HN     75 LEU  QD2     3.94             (#peak 2626 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2626, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1160,1161,1162,
 &end
#
#  75 LEU  HN     75 LEU  QQD     3.25             (#peak 2626)
 &rst
  ixpk= 2626, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1156,1157,1158,1160,1161,1162,
 &end
#
#  75 LEU  HN     78 MET  QE      4.99             (#peak 1633 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1633, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1206,1207,1208,
 &end
#
#  75 LEU  QD1    78 MET  QE      4.52             (#peak 1161 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1161, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1156,1157,1158,
 igr2=1206,1207,1208,
 &end
#
#  75 LEU  QD2    78 MET  QE      4.52             (#peak 2629 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2629, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1160,1161,1162,
 igr2=1206,1207,1208,
 &end
#
#  75 LEU  QQD    76 GLU- HN      4.68             (#peak 228)
 &rst
  ixpk= 228, nxpk= 0, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1156,1157,1158,1160,1161,1162,
 &end
#
#  75 LEU  QQD    78 MET  QE      3.36             (#peak 2629)
 &rst
  ixpk= 2629, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1156,1157,1158,1160,1161,1162,
 igr2=1206,1207,1208,
 &end
#
#  76 GLU- HA     76 GLU- HG2     3.88             (#peak 2561 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2561, nxpk= 0, iat=1168,1173, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  76 GLU- HA     76 GLU- HG3     3.88             (#peak 480 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 480, nxpk= 0, iat=1168,1174, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  76 GLU- HA     76 GLU- QG      3.18             (#peak 480)
 &rst
  ixpk= 480, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1173,1174,
 &end
#
#  76 GLU- HB2    77 ASN  HD21    4.79             (#peak 2293 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2293, nxpk= 0, iat=1170,1190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  76 GLU- HB2    77 ASN  HD22    4.66             (#peak 2291 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 2291, nxpk= 0, iat=1170,1191, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  76 GLU- HB2    78 MET  HN      5.13             (#peak 2558 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 2558, nxpk= 0, iat=1170,1195, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  76 GLU- HB3    77 ASN  HD21    4.79             (#peak 2556 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2556, nxpk= 0, iat=1171,1190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  76 GLU- HB3    77 ASN  HD22    4.66             (#peak 812 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 812, nxpk= 0, iat=1171,1191, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  76 GLU- HB3    78 MET  HN      5.13             (#peak 2557 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2557, nxpk= 0, iat=1171,1195, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  76 GLU- HG2    77 ASN  HD21    4.92             (#peak 2559 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2559, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  76 GLU- HG3    77 ASN  HD21    4.92             (#peak 2261 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2261, nxpk= 0, iat=1174,1190, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  76 GLU- HN     76 GLU- HB2     3.75             (#peak 252 #SUP 0.33 #QF 0.33)
 &rst
  ixpk= 252, nxpk= 0, iat=1166,1170, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  76 GLU- HN     76 GLU- HB3     3.75             (#peak 756 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 756, nxpk= 0, iat=1166,1171, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  76 GLU- HN     76 GLU- HG2     3.74             (#peak 491 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 491, nxpk= 0, iat=1166,1173, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  76 GLU- HN     76 GLU- HG3     3.74             (#peak 227 #SUP 0.97 #QF 0.72)
 &rst
  ixpk= 227, nxpk= 0, iat=1166,1174, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  76 GLU- HN     76 GLU- QG      3.23             (#peak 227)
 &rst
  ixpk= 227, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1173,1174,
 &end
#
#  76 GLU- HN     77 ASN  HD21    4.69             (#peak 834 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 834, nxpk= 0, iat=1166,1190, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  76 GLU- HN     77 ASN  HD22    5.50             (#peak 835 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 835, nxpk= 0, iat=1166,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  76 GLU- HN     77 ASN  HN      3.63             (#peak 467 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 467, nxpk= 0, iat=1166,1181, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  76 GLU- HN     78 MET  HN      4.00             (#peak 790 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 790, nxpk= 0, iat=1166,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 GLU- HN     78 MET  QE      5.35             (#peak 1633 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1633, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1206,1207,1208,
 &end
#
#  76 GLU- QB     77 ASN  HA      4.42             (#peak 1474)
 &rst
  ixpk= 1474, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1170,1171,
 &end
#
#  76 GLU- QB     77 ASN  HN      3.56             (#peak 471)
 &rst
  ixpk= 471, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1170,1171,
 &end
#
#  76 GLU- QB     78 MET  HN      4.29             (#peak 2558)
 &rst
  ixpk= 2558, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1170,1171,
 &end
#
#  76 GLU- QG     77 ASN  HD21    4.24             (#peak 2559)
 &rst
  ixpk= 2559, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1173,1174,
 &end
#
#  76 GLU- QG     77 ASN  HD22    4.60             (#peak 2560)
 &rst
  ixpk= 2560, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1173,1174,
 &end
#
#  76 GLU- QG     77 ASN  HN      4.22             (#peak 479)
 &rst
  ixpk= 479, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1173,1174,
 &end
#
#  77 ASN  HA     77 ASN  HD21    4.11             (#peak 1475 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1475, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  77 ASN  HA     77 ASN  HD22    4.50             (#peak 1478 #SUP 1.00)
 &rst
  ixpk= 1478, nxpk= 0, iat=1183,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 ASN  HA     79 VAL  QG1     5.01             (#peak 1480 #SUP 0.99 #QF 0.40)
 &rst
  ixpk= 1480, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1218,1219,1220,
 &end
#
#  77 ASN  HA     79 VAL  QG2     5.24             (#peak 1480 #SUP 0.99 #QF 0.40)
 &rst
  ixpk= 1480, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1222,1223,1224,
 &end
#
#  77 ASN  HB2    78 MET  HN      4.91             (#peak 2087 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2087, nxpk= 0, iat=1185,1195, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  77 ASN  HB2    79 VAL  QG1     4.24             (#peak 1425 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1425, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1218,1219,1220,
 &end
#
#  77 ASN  HB2    79 VAL  QG2     3.46             (#peak 1519 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1519, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1222,1223,1224,
 &end
#
#  77 ASN  HB3    78 MET  HN      4.91             (#peak 2088 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2088, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  77 ASN  HB3    79 VAL  QG1     4.24             (#peak 1426 #SUP 1.00)
 &rst
  ixpk= 1426, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1218,1219,1220,
 &end
#
#  77 ASN  HB3    79 VAL  QG2     3.46             (#peak 2578 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2578, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1222,1223,1224,
 &end
#
#  77 ASN  HD21   78 MET  HN      4.56             (#peak 657 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 657, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  77 ASN  HD21   79 VAL  QG2     4.79             (#peak 695 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 695, nxpk= 0, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1222,1223,1224,
 &end
#
#  77 ASN  HD22   79 VAL  QG2     4.97             (#peak 1509 #SUP 1.00)
 &rst
  ixpk= 1509, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1222,1223,1224,
 &end
#
#  77 ASN  HN     77 ASN  HB2     3.85             (#peak 465 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 465, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  77 ASN  HN     77 ASN  HB3     3.85             (#peak 470 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 470, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  77 ASN  HN     77 ASN  HD21    3.98             (#peak 466 #SUP 1.00)
 &rst
  ixpk= 466, nxpk= 0, iat=1181,1190, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  77 ASN  HN     77 ASN  HD22    4.14             (#peak 469 #SUP 1.00)
 &rst
  ixpk= 469, nxpk= 0, iat=1181,1191, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  77 ASN  HN     77 ASN  QB      3.38             (#peak 470)
 &rst
  ixpk= 470, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1185,1186,
 &end
#
#  77 ASN  HN     78 MET  HA      4.81             (#peak 789 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 789, nxpk= 0, iat=1181,1197, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  77 ASN  HN     78 MET  HN      3.56             (#peak 378 #SUP 0.86 #QF 0.58)
 &rst
  ixpk= 378, nxpk= 0, iat=1181,1195, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  77 ASN  HN     79 VAL  QG2     4.25             (#peak 694 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 694, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1222,1223,1224,
 &end
#
#  77 ASN  QB     79 VAL  QG1     3.49             (#peak 1425)
 &rst
  ixpk= 1425, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1185,1186,
 igr2=1218,1219,1220,
 &end
#
#  78 MET  HA     78 MET  QE      2.63             (#peak 1640 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 1640, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
 igr2=1206,1207,1208,
 &end
#
#  78 MET  HA     79 VAL  QG1     4.92             (#peak 2588 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 2588, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1218,1219,1220,
 &end
#
#  78 MET  HA     79 VAL  QG2     4.60             (#peak 1515 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1515, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1222,1223,1224,
 &end
#
#  78 MET  HA     92 ILE  QD1     3.63             (#peak 115 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 115, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1474,1475,1476,
 &end
#
#  78 MET  HA     92 ILE  QG2     5.50             (#peak 2184 #SUP 1.00 #QF 0.76)
 &rst
  ixpk= 2184, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1467,1468,1469,
 &end
#
#  78 MET  HB2    78 MET  QE      4.43             (#peak 2567 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2567, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1206,1207,1208,
 &end
#
#  78 MET  HB2    79 VAL  QG1     4.65             (#peak 1426 #SUP 1.00)
 &rst
  ixpk= 1426, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1218,1219,1220,
 &end
#
#  78 MET  HB3    78 MET  QE      3.13             (#peak 1642 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1642, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1206,1207,1208,
 &end
#
#  78 MET  HB3    79 VAL  HN      4.43             (#peak 494 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 494, nxpk= 0, iat=1200,1212, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  78 MET  HB3    92 ILE  HN      4.71             (#peak 717 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 717, nxpk= 0, iat=1200,1461, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  78 MET  HB3    92 ILE  QD1     3.83             (#peak 122 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 122, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1474,1475,1476,
 &end
#
#  78 MET  HG2    78 MET  QE      2.87             (#peak 1641 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1641, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2=1206,1207,1208,
 &end
#
#  78 MET  HG2    79 VAL  HN      4.89             (#peak 2093 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2093, nxpk= 0, iat=1202,1212, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  78 MET  HG3    78 MET  QE      3.94             (#peak 577 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 577, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1206,1207,1208,
 &end
#
#  78 MET  HG3    92 ILE  HG13    5.50             (#peak 2481 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 2481, nxpk= 0, iat=1203,1472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  78 MET  HN     78 MET  HB3     4.12             (#peak 374 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 374, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  78 MET  HN     78 MET  HG2     3.95             (#peak 373 #SUP 0.93 #QF 0.59)
 &rst
  ixpk= 373, nxpk= 0, iat=1195,1202, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  78 MET  HN     78 MET  HG3     4.51             (#peak 2096 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2096, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  78 MET  HN     78 MET  QE      3.71             (#peak 375 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 375, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1206,1207,1208,
 &end
#
#  78 MET  HN     79 VAL  HN      3.90             (#peak 483 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 483, nxpk= 0, iat=1195,1212, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  78 MET  HN     79 VAL  QG1     4.80             (#peak 1415 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1415, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1218,1219,1220,
 &end
#
#  78 MET  HN     79 VAL  QG2     4.00             (#peak 376 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 376, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1222,1223,1224,
 &end
#
#  78 MET  HN     92 ILE  QD1     4.90             (#peak 125 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 125, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1474,1475,1476,
 &end
#
#  78 MET  QE     79 VAL  HN      4.28             (#peak 484 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 484, nxpk= 0, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1206,1207,1208,
 &end
#
#  78 MET  QE     92 ILE  HG12    5.03             (#peak 2309 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 2309, nxpk= 0, iat=  -1,1471, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1206,1207,1208,
 &end
#
#  78 MET  QE     92 ILE  HG13    3.40             (#peak 1644 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 1644, nxpk= 0, iat=  -1,1472, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1206,1207,1208,
 &end
#
#  78 MET  QE     92 ILE  QD1     2.76             (#peak 1646 #SUP 0.70 #QF 0.28)
 &rst
  ixpk= 1646, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1206,1207,1208,
 igr2=1474,1475,1476,
 &end
#
#  79 VAL  HA     79 VAL  QG1     3.31             (#peak 1419 #SUP 1.00)
 &rst
  ixpk= 1419, nxpk= 0, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1218,1219,1220,
 &end
#
#  79 VAL  HA     79 VAL  QG2     3.66             (#peak 1512 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1512, nxpk= 0, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1222,1223,1224,
 &end
#
#  79 VAL  HA     89 ARG+ HB2     4.91             (#peak 2098 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 2098, nxpk= 0, iat=1214,1395, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  79 VAL  HA     91 LYS+ HA      4.60             (#peak 2097 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2097, nxpk= 0, iat=1214,1441, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  79 VAL  HA     92 ILE  HN      4.37             (#peak 472 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 472, nxpk= 0, iat=1214,1461, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  79 VAL  HA     92 ILE  QG2     4.38             (#peak 2183 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2183, nxpk= 0, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1467,1468,1469,
 &end
#
#  79 VAL  HB     80 GLN  HN      3.92             (#peak 454 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 454, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  79 VAL  HB     80 GLN  QG      5.08             (#peak 2102)
 &rst
  ixpk= 2102, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1235,1236,
 &end
#
#  79 VAL  HB     81 TYR  QD      4.68             (#peak 2125 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2125, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1253,1262,
 &end
#
#  79 VAL  HB     89 ARG+ HB3     4.04             (#peak 2443 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2443, nxpk= 0, iat=1216,1396, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  79 VAL  HB     90 ARG+ HN      4.64             (#peak 2106 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2106, nxpk= 0, iat=1216,1415, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  79 VAL  HB     91 LYS+ HA      4.55             (#peak 2101 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2101, nxpk= 0, iat=1216,1441, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  79 VAL  HB     92 ILE  HN      5.50             (#peak 2104 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2104, nxpk= 0, iat=1216,1461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 VAL  HN     79 VAL  QG1     3.62             (#peak 1414 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1414, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1218,1219,1220,
 &end
#
#  79 VAL  HN     79 VAL  QG2     3.22             (#peak 1507 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1507, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1222,1223,1224,
 &end
#
#  79 VAL  HN     92 ILE  QD1     3.93             (#peak 111 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 111, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1474,1475,1476,
 &end
#
#  79 VAL  QG1    80 GLN  HN      3.99             (#peak 1411 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1411, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    81 TYR  QD      4.71             (#peak 1417 #SUP 1.00)
 &rst
  ixpk= 1417, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1218,1219,1220,
 igr2=1253,1262,
 &end
#
#  79 VAL  QG1    89 ARG+ HA      5.50             (#peak 2163 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 2163, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    89 ARG+ HB2     3.67             (#peak 1429 #SUP 0.98 #QF 0.88)
 &rst
  ixpk= 1429, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    89 ARG+ HD2     3.81             (#peak 219 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 219, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    89 ARG+ HD3     4.33             (#peak 1424 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1424, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    89 ARG+ QG      3.58             (#peak 1431)
 &rst
  ixpk= 1431, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1218,1219,1220,
 igr2=1398,1399,
 &end
#
#  79 VAL  QG1    90 ARG+ HN      4.42             (#peak 1413 #SUP 1.00)
 &rst
  ixpk= 1413, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ HA      3.27             (#peak 1421 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1421, nxpk= 0, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ HB2     4.43             (#peak 2459 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2459, nxpk= 0, iat=  -1,1443, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ HB3     4.43             (#peak 2166 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2166, nxpk= 0, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ HD2     3.71             (#peak 854 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 854, nxpk= 0, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ HD3     3.71             (#peak 861 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 861, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ HN      4.04             (#peak 1412 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1412, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG1    91 LYS+ QG      3.14             (#peak 1430)
 &rst
  ixpk= 1430, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1218,1219,1220,
 igr2=1446,1447,
 &end
#
#  79 VAL  QG1    92 ILE  HN      3.63             (#peak 1416 #SUP 1.00)
 &rst
  ixpk= 1416, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1218,1219,1220,
 &end
#
#  79 VAL  QG2    80 GLN  HA      5.13             (#peak 2108 #SUP 0.98 #QF 0.78)
 &rst
  ixpk= 2108, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    80 GLN  HN      4.02             (#peak 1504 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1504, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    81 TYR  QD      3.24             (#peak 1510 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1510, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1222,1223,1224,
 igr2=1253,1262,
 &end
#
#  79 VAL  QG2    81 TYR  QE      3.21             (#peak 1511 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1511, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1222,1223,1224,
 igr2=1255,1260,
 &end
#
#  79 VAL  QG2    89 ARG+ HA      4.80             (#peak 1513 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1513, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    89 ARG+ HB2     3.53             (#peak 1522 #SUP 1.00)
 &rst
  ixpk= 1522, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    89 ARG+ HB3     4.25             (#peak 677 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 677, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    89 ARG+ HD2     3.81             (#peak 1517 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1517, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    89 ARG+ HD3     3.60             (#peak 1518 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1518, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1222,1223,1224,
 &end
#
#  79 VAL  QG2    89 ARG+ QG      3.94             (#peak 1523)
 &rst
  ixpk= 1523, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1222,1223,1224,
 igr2=1398,1399,
 &end
#
#  79 VAL  QG2    90 ARG+ HN      4.88             (#peak 1506 #SUP 1.00)
 &rst
  ixpk= 1506, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1222,1223,1224,
 &end
#
#  80 GLN  HA     92 ILE  QD1     4.85             (#peak 127 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 127, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1474,1475,1476,
 &end
#
#  80 GLN  HN     80 GLN  QG      4.70             (#peak 771)
 &rst
  ixpk= 771, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1235,1236,
 &end
#
#  80 GLN  HN     81 TYR  HN      4.73             (#peak 638 #SUP 0.48 #QF 0.48)
 &rst
  ixpk= 638, nxpk= 0, iat=1228,1245, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  80 GLN  HN     81 TYR  QD      5.18             (#peak 781 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 781, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1253,1262,
 &end
#
#  80 GLN  HN     90 ARG+ HA      5.40             (#peak 700 #SUP 0.99 #QF 0.67)
 &rst
  ixpk= 700, nxpk= 0, iat=1228,1417, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  80 GLN  HN     90 ARG+ HN      4.84             (#peak 699 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 699, nxpk= 0, iat=1228,1415, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  80 GLN  HN     91 LYS+ HA      5.50             (#peak 700 #SUP 0.99 #QF 0.67)
 &rst
  ixpk= 700, nxpk= 0, iat=1228,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  80 GLN  HN     92 ILE  HN      5.12             (#peak 698 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 698, nxpk= 0, iat=1228,1461, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  80 GLN  HN     92 ILE  QG2     3.89             (#peak 1540 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1540, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1467,1468,1469,
 &end
#
#  80 GLN  QB     92 ILE  QD1     4.13             (#peak 117)
 &rst
  ixpk= 117, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1232,1233,
 igr2=1474,1475,1476,
 &end
#
#  80 GLN  QB     92 ILE  QG2     4.83             (#peak 2631)
 &rst
  ixpk= 2631, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1232,1233,
 igr2=1467,1468,1469,
 &end
#
#  80 GLN  QG     92 ILE  QD1     4.69             (#peak 108)
 &rst
  ixpk= 108, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1235,1236,
 igr2=1474,1475,1476,
 &end
#
#  81 TYR  HA     81 TYR  QD      4.74             (#peak 1 #SUP 1.00 #QF 0.95)
 &rst
  ixpk= 1, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1253,1262,
 &end
#
#  81 TYR  HA     89 ARG+ HB3     5.48             (#peak 2114 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2114, nxpk= 0, iat=1247,1396, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  81 TYR  HN     81 TYR  QD      4.73             (#peak 2126 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2126, nxpk= 0, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1253,1262,
 &end
#
#  81 TYR  QB     89 ARG+ HA      4.65             (#peak 2161)
 &rst
  ixpk= 2161, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1249,1250,
 &end
#
#  81 TYR  QB     89 ARG+ HB2     4.78             (#peak 2270)
 &rst
  ixpk= 2270, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1249,1250,
 &end
#
#  81 TYR  QB     89 ARG+ HB3     5.26             (#peak 2276)
 &rst
  ixpk= 2276, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1249,1250,
 &end
#
#  81 TYR  QB     89 ARG+ HN      5.18             (#peak 836)
 &rst
  ixpk= 836, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1249,1250,
 &end
#
#  81 TYR  QD     82 ARG+ HN      4.92             (#peak 702 #SUP 0.92 #QF 0.29)
 &rst
  ixpk= 702, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     83 ARG+ HA      4.64             (#peak 2302 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2302, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     83 ARG+ HN      5.50             (#peak 800 #SUP 0.98 #QF 0.79)
 &rst
  ixpk= 800, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     89 ARG+ HA      4.75             (#peak 2164 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2164, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     89 ARG+ HB3     4.38             (#peak 2124 #SUP 0.98 #QF 0.97)
 &rst
  ixpk= 2124, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     89 ARG+ HD3     4.26             (#peak 221 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 221, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     89 ARG+ HG2     4.82             (#peak 2441 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2441, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     89 ARG+ HG3     4.82             (#peak 2123 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2123, nxpk= 0, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1253,1262,
 &end
#
#  81 TYR  QD     89 ARG+ QG      4.11             (#peak 2123)
 &rst
  ixpk= 2123, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1253,1262,
 igr2=1398,1399,
 &end
#
#  81 TYR  QD     90 ARG+ HN      4.94             (#peak 709 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 709, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1253,1262,
 &end
#
#  81 TYR  QE     83 ARG+ HA      4.91             (#peak 2632 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2632, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1255,1260,
 &end
#
#  81 TYR  QE     83 ARG+ HG2     5.50             (#peak 2128 #SUP 0.67 #QF 0.45)
 &rst
  ixpk= 2128, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1255,1260,
 &end
#
#  81 TYR  QE     89 ARG+ HB3     4.88             (#peak 2129 #SUP 1.00)
 &rst
  ixpk= 2129, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1255,1260,
 &end
#
#  81 TYR  QE     89 ARG+ HD2     4.49             (#peak 2576 #SUP 0.33 #QF 0.33)
 &rst
  ixpk= 2576, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1255,1260,
 &end
#
#  81 TYR  QE     89 ARG+ HD3     4.77             (#peak 234 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 234, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1255,1260,
 &end
#
#  81 TYR  QE     89 ARG+ QG      5.34             (#peak 2128)
 &rst
  ixpk= 2128, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1255,1260,
 igr2=1398,1399,
 &end
#
#  82 ARG+ HA     82 ARG+ HD2     5.50             (#peak 2153 #SUP 0.98 #QF 0.85)
 &rst
  ixpk= 2153, nxpk= 0, iat=1268,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 ARG+ HA     82 ARG+ HD3     5.50             (#peak 2153 #SUP 0.98 #QF 0.85)
 &rst
  ixpk= 2153, nxpk= 0, iat=1268,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 ARG+ HA     82 ARG+ QD      4.75             (#peak 2153)
 &rst
  ixpk= 2153, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1276,1277,
 &end
#
#  82 ARG+ HN     82 ARG+ HD2     5.50             (#peak 2474 #SUP 0.82 #QF 0.52)
 &rst
  ixpk= 2474, nxpk= 0, iat=1266,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 ARG+ HN     82 ARG+ HD3     5.50             (#peak 2474 #SUP 0.82 #QF 0.52)
 &rst
  ixpk= 2474, nxpk= 0, iat=1266,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 ARG+ HN     82 ARG+ HG2     4.97             (#peak 2149 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2149, nxpk= 0, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  82 ARG+ HN     82 ARG+ HG3     4.97             (#peak 2148 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2148, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  82 ARG+ HN     82 ARG+ QG      4.36             (#peak 2149)
 &rst
  ixpk= 2149, nxpk= 0, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1273,1274,
 &end
#
#  82 ARG+ QB     82 ARG+ QH1     5.18             (#peak 2142)
 &rst
  ixpk= 2142, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1270,1271,
 igr2=1282,1283,
 &end
#
#  82 ARG+ QB     85 GLU- QG      4.04             (#peak 516)
 &rst
  ixpk= 516, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1270,1271,
 igr2=1335,1336,
 &end
#
#  82 ARG+ QD     85 GLU- QG      5.17             (#peak 2154)
 &rst
  ixpk= 2154, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1276,1277,
 igr2=1335,1336,
 &end
#
#  82 ARG+ QG     82 ARG+ QH1     4.55             (#peak 2144)
 &rst
  ixpk= 2144, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1273,1274,
 igr2=1282,1283,
 &end
#
#  83 ARG+ HA     83 ARG+ HD2     5.23             (#peak 238 #SUP 0.94 #QF 0.65)
 &rst
  ixpk= 238, nxpk= 0, iat=1292,1300, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  83 ARG+ HA     83 ARG+ HD3     5.23             (#peak 238 #SUP 0.94 #QF 0.65)
 &rst
  ixpk= 238, nxpk= 0, iat=1292,1301, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  83 ARG+ HA     83 ARG+ HG2     3.51             (#peak 987 #SUP 0.98 #QF 0.82)
 &rst
  ixpk= 987, nxpk= 0, iat=1292,1297, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  83 ARG+ HA     83 ARG+ QD      4.51             (#peak 238)
 &rst
  ixpk= 238, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1300,1301,
 &end
#
#  83 ARG+ HG2    84 ASN  HN      5.50             (#peak 2636 #SUP 0.85 #QF 0.61)
 &rst
  ixpk= 2636, nxpk= 0, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  83 ARG+ HG3    84 ASN  HN      5.50             (#peak 2636 #SUP 0.85 #QF 0.61)
 &rst
  ixpk= 2636, nxpk= 0, iat=1298,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  83 ARG+ HN     83 ARG+ HD2     5.50             (#peak 236 #SUP 0.99 #QF 0.83)
 &rst
  ixpk= 236, nxpk= 0, iat=1290,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  83 ARG+ HN     83 ARG+ HD3     5.50             (#peak 236 #SUP 0.99 #QF 0.83)
 &rst
  ixpk= 236, nxpk= 0, iat=1290,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  83 ARG+ HN     83 ARG+ HG2     4.13             (#peak 2635 #SUP 0.90 #QF 0.70)
 &rst
  ixpk= 2635, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  83 ARG+ HN     83 ARG+ HG3     3.77             (#peak 2635 #SUP 0.90 #QF 0.70)
 &rst
  ixpk= 2635, nxpk= 0, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  83 ARG+ HN     83 ARG+ QD      4.81             (#peak 236)
 &rst
  ixpk= 236, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1300,1301,
 &end
#
#  83 ARG+ QB     83 ARG+ QD      3.21             (#peak 239)
 &rst
  ixpk= 239, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1294,1295,
 igr2=1300,1301,
 &end
#
#  84 ASN  HA     84 ASN  QD2     3.83             (#peak 2316)
 &rst
  ixpk= 2316, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1323,1324,
 &end
#
#  84 ASN  HN     84 ASN  QD2     4.94             (#peak 806)
 &rst
  ixpk= 806, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1323,1324,
 &end
#
#  84 ASN  QB     84 ASN  QD2     3.13             (#peak 505)
 &rst
  ixpk= 505, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1318,1319,
 igr2=1323,1324,
 &end
#
#  85 GLU- QG     86 HIS  HN      4.27             (#peak 511)
 &rst
  ixpk= 511, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1335,1336,
 &end
#
#  85 GLU- QG     87 GLY  HN      4.22             (#peak 537)
 &rst
  ixpk= 537, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1335,1336,
 &end
#
#  86 HIS  HA     86 HIS  HD2     4.52             (#peak 59 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 59, nxpk= 0, iat=1345,1356, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  86 HIS  HB2    87 GLY  HN      4.20             (#peak 531 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 531, nxpk= 0, iat=1347,1360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  86 HIS  HB3    87 GLY  HN      4.20             (#peak 532 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 532, nxpk= 0, iat=1348,1360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  86 HIS  HD2    87 GLY  HN      5.16             (#peak 705 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 705, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  86 HIS  HN     86 HIS  HD2     4.43             (#peak 2159 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 2159, nxpk= 0, iat=1343,1356, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  86 HIS  HN     87 GLY  HN      4.05             (#peak 538 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 538, nxpk= 0, iat=1343,1360, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  86 HIS  QB     86 HIS  HD2     3.46             (#peak 61)
 &rst
  ixpk= 61, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1347,1348,
 &end
#
#  86 HIS  QB     87 GLY  HN      3.64             (#peak 532)
 &rst
  ixpk= 532, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1347,1348,
 &end
#
#  87 GLY  HN     88 ARG+ HN      3.97             (#peak 534 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 534, nxpk= 0, iat=1360,1367, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  88 ARG+ HA     88 ARG+ HD2     5.22             (#peak 2448 #SUP 0.99 #QF 0.83)
 &rst
  ixpk= 2448, nxpk= 0, iat=1369,1377, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  88 ARG+ HA     88 ARG+ HD3     5.22             (#peak 2448 #SUP 0.99 #QF 0.83)
 &rst
  ixpk= 2448, nxpk= 0, iat=1369,1378, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  88 ARG+ HA     88 ARG+ QD      4.46             (#peak 2448)
 &rst
  ixpk= 2448, nxpk= 0, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1377,1378,
 &end
#
#  88 ARG+ HA     88 ARG+ QG      3.67             (#peak 1004)
 &rst
  ixpk= 1004, nxpk= 0, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1374,1375,
 &end
#
#  88 ARG+ HA     89 ARG+ HN      3.50             (#peak 1195 #SUP 0.61 #QF 0.61)
 &rst
  ixpk= 1195, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  88 ARG+ HD2    89 ARG+ HN      5.50             (#peak 726 #SUP 0.99 #QF 0.23)
 &rst
  ixpk= 726, nxpk= 0, iat=1377,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  88 ARG+ HD3    89 ARG+ HN      5.50             (#peak 726 #SUP 0.99 #QF 0.23)
 &rst
  ixpk= 726, nxpk= 0, iat=1378,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  88 ARG+ HN     88 ARG+ HD2     5.50             (#peak 2640 #SUP 0.88 #QF 0.57)
 &rst
  ixpk= 2640, nxpk= 0, iat=1367,1377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  88 ARG+ HN     88 ARG+ HD3     5.50             (#peak 2640 #SUP 0.88 #QF 0.57)
 &rst
  ixpk= 2640, nxpk= 0, iat=1367,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  88 ARG+ HN     88 ARG+ HG2     4.75             (#peak 1000 #SUP 0.53 #QF 0.25)
 &rst
  ixpk= 1000, nxpk= 0, iat=1367,1374, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  88 ARG+ HN     88 ARG+ HG3     4.75             (#peak 1000 #SUP 0.53 #QF 0.25)
 &rst
  ixpk= 1000, nxpk= 0, iat=1367,1375, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  88 ARG+ HN     88 ARG+ QB      3.70             (#peak 724)
 &rst
  ixpk= 724, nxpk= 0, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1371,1372,
 &end
#
#  88 ARG+ HN     88 ARG+ QG      4.03             (#peak 1000)
 &rst
  ixpk= 1000, nxpk= 0, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1374,1375,
 &end
#
#  89 ARG+ HA     89 ARG+ HD2     5.08             (#peak 217 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 217, nxpk= 0, iat=1393,1401, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  89 ARG+ HA     89 ARG+ HD3     4.89             (#peak 2574 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2574, nxpk= 0, iat=1393,1402, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  89 ARG+ HB2    89 ARG+ HD3     3.68             (#peak 222 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 222, nxpk= 0, iat=1395,1402, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  89 ARG+ HB2    90 ARG+ HN      4.43             (#peak 707 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 707, nxpk= 0, iat=1395,1415, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  89 ARG+ HB3    89 ARG+ HD3     3.32             (#peak 233 #SUP 1.00 #QF 0.51)
 &rst
  ixpk= 233, nxpk= 0, iat=1396,1402, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  89 ARG+ HB3    90 ARG+ HN      4.60             (#peak 130 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 130, nxpk= 0, iat=1396,1415, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  89 ARG+ HG2    90 ARG+ HN      5.14             (#peak 130 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 130, nxpk= 0, iat=1398,1415, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  89 ARG+ HG3    90 ARG+ HN      5.14             (#peak 905 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 905, nxpk= 0, iat=1399,1415, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  89 ARG+ HN     89 ARG+ HD2     5.50             (#peak 726 #SUP 0.99 #QF 0.23)
 &rst
  ixpk= 726, nxpk= 0, iat=1391,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  89 ARG+ HN     89 ARG+ HD3     4.40             (#peak 220 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 220, nxpk= 0, iat=1391,1402, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  89 ARG+ HN     89 ARG+ HG2     4.54             (#peak 901 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 901, nxpk= 0, iat=1391,1398, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  89 ARG+ HN     89 ARG+ HG3     4.54             (#peak 905 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 905, nxpk= 0, iat=1391,1399, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  89 ARG+ HN     89 ARG+ QG      3.84             (#peak 901)
 &rst
  ixpk= 901, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1398,1399,
 &end
#
#  89 ARG+ QG     90 ARG+ HN      4.50             (#peak 905)
 &rst
  ixpk= 905, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1398,1399,
 &end
#
#  91 LYS+ HA     91 LYS+ HD2     3.88             (#peak 852 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 852, nxpk= 0, iat=1441,1449, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  91 LYS+ HA     91 LYS+ HD3     3.88             (#peak 860 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 860, nxpk= 0, iat=1441,1450, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  91 LYS+ HA     91 LYS+ HE2     5.50             (#peak 326 #SUP 0.98 #QF 0.69)
 &rst
  ixpk= 326, nxpk= 0, iat=1441,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 LYS+ HA     91 LYS+ HE3     5.50             (#peak 326 #SUP 0.98 #QF 0.69)
 &rst
  ixpk= 326, nxpk= 0, iat=1441,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 LYS+ HA     91 LYS+ QG      3.64             (#peak 1132)
 &rst
  ixpk= 1132, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1446,1447,
 &end
#
#  91 LYS+ HA     92 ILE  QG2     4.43             (#peak 2319 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2319, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1467,1468,1469,
 &end
#
#  91 LYS+ HB2    91 LYS+ HE2     5.50             (#peak 323 #SUP 0.98 #QF 0.91)
 &rst
  ixpk= 323, nxpk= 0, iat=1443,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 LYS+ HB2    91 LYS+ HE3     5.50             (#peak 323 #SUP 0.98 #QF 0.91)
 &rst
  ixpk= 323, nxpk= 0, iat=1443,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 LYS+ HB3    91 LYS+ HE2     5.50             (#peak 2267 #SUP 0.98 #QF 0.87)
 &rst
  ixpk= 2267, nxpk= 0, iat=1444,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 LYS+ HB3    91 LYS+ HE3     5.50             (#peak 2267 #SUP 0.98 #QF 0.87)
 &rst
  ixpk= 2267, nxpk= 0, iat=1444,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 LYS+ HD2    92 ILE  HN      4.61             (#peak 855 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 855, nxpk= 0, iat=1449,1461, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  91 LYS+ HD3    92 ILE  HN      4.61             (#peak 859 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 859, nxpk= 0, iat=1450,1461, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  91 LYS+ HN     91 LYS+ HG2     4.04             (#peak 1133 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1133, nxpk= 0, iat=1439,1446, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  91 LYS+ HN     91 LYS+ HG3     4.04             (#peak 1130 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 1130, nxpk= 0, iat=1439,1447, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  91 LYS+ HN     91 LYS+ QD      4.91             (#peak 850)
 &rst
  ixpk= 850, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1449,1450,
 &end
#
#  91 LYS+ HN     92 ILE  HN      5.03             (#peak 477 #SUP 0.99 #QF 0.89)
 &rst
  ixpk= 477, nxpk= 0, iat=1439,1461, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  91 LYS+ QB     91 LYS+ QE      4.15             (#peak 323)
 &rst
  ixpk= 323, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1443,1444,
 igr2=1452,1453,
 &end
#
#  91 LYS+ QB     92 ILE  HN      3.67             (#peak 479)
 &rst
  ixpk= 479, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1443,1444,
 &end
#
#  91 LYS+ QD     92 ILE  HN      3.98             (#peak 855)
 &rst
  ixpk= 855, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1449,1450,
 &end
#
#  91 LYS+ QE     92 ILE  HN      4.99             (#peak 325)
 &rst
  ixpk= 325, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1452,1453,
 &end
#
#  91 LYS+ QG     91 LYS+ QE      3.30             (#peak 1135)
 &rst
  ixpk= 1135, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1446,1447,
 igr2=1452,1453,
 &end
#
#  91 LYS+ QG     92 ILE  HN      4.34             (#peak 2171)
 &rst
  ixpk= 2171, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1446,1447,
 &end
#
#  92 ILE  HA     92 ILE  QD1     4.90             (#peak 2173 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2173, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1474,1475,1476,
 &end
#
#  92 ILE  HA     92 ILE  QG2     3.58             (#peak 1546 #SUP 1.00)
 &rst
  ixpk= 1546, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1467,1468,1469,
 &end
#
#  92 ILE  HB     92 ILE  QD1     3.56             (#peak 116 #SUP 0.99 #QF 0.90)
 &rst
  ixpk= 116, nxpk= 0, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1474,1475,1476,
 &end
#
#  92 ILE  HB     93 LYS+ HN      4.02             (#peak 403 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 403, nxpk= 0, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  92 ILE  HG12   93 LYS+ HN      5.12             (#peak 2311 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2311, nxpk= 0, iat=1471,1480, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  92 ILE  HN     92 ILE  HG12    5.20             (#peak 2310 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2310, nxpk= 0, iat=1461,1471, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  92 ILE  HN     92 ILE  HG13    4.63             (#peak 819 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 819, nxpk= 0, iat=1461,1472, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  92 ILE  HN     92 ILE  QD1     4.07             (#peak 106 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 106, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1474,1475,1476,
 &end
#
#  92 ILE  HN     92 ILE  QG2     3.91             (#peak 1543 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1543, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1467,1468,1469,
 &end
#
#  92 ILE  HN     93 LYS+ HN      5.35             (#peak 477 #SUP 0.99 #QF 0.89)
 &rst
  ixpk= 477, nxpk= 0, iat=1461,1480, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  92 ILE  QD1    93 LYS+ HN      4.56             (#peak 774 #SUP 1.00)
 &rst
  ixpk= 774, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1474,1475,1476,
 &end
#
#  92 ILE  QG2    92 ILE  HG12    3.84             (#peak 2318 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2318, nxpk= 0, iat=  -1,1471, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1467,1468,1469,
 &end
#
#  92 ILE  QG2    92 ILE  QD1     2.96             (#peak 119 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 119, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1467,1468,1469,
 igr2=1474,1475,1476,
 &end
#
#  92 ILE  QG2    93 LYS+ HA      5.50             (#peak 2184 #SUP 1.00 #QF 0.76)
 &rst
  ixpk= 2184, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1467,1468,1469,
 &end
#
#  92 ILE  QG2    93 LYS+ HN      3.81             (#peak 1541 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1541, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1467,1468,1469,
 &end
#
#  93 LYS+ HA     94 ARG+ HN      3.50             (#peak 77 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 77, nxpk= 0, iat=1482,1502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  93 LYS+ HB2    94 ARG+ HN      4.15             (#peak 79 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 79, nxpk= 0, iat=1484,1502, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  93 LYS+ HB3    94 ARG+ HN      4.15             (#peak 731 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 731, nxpk= 0, iat=1485,1502, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  93 LYS+ HE3    95 ASP- HB2     4.80             (#peak 2199 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 2199, nxpk= 0, iat=1494,1530, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  93 LYS+ HG3    93 LYS+ HE2     3.99             (#peak 2314 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2314, nxpk= 0, iat=1488,1493, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  93 LYS+ HN     93 LYS+ HG2     4.97             (#peak 2191 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2191, nxpk= 0, iat=1480,1487, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  93 LYS+ HN     93 LYS+ HG3     4.61             (#peak 772 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 772, nxpk= 0, iat=1480,1488, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  93 LYS+ QB     94 ARG+ HN      3.60             (#peak 79)
 &rst
  ixpk= 79, nxpk= 0, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1484,1485,
 &end
#
#  94 ARG+ HA     94 ARG+ QD      4.55             (#peak 2210)
 &rst
  ixpk= 2210, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1512,1513,
 &end
#
#  94 ARG+ HN     95 ASP- HN      4.52             (#peak 719 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 719, nxpk= 0, iat=1502,1526, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  95 ASP- HB2    96 ILE  HN      4.19             (#peak 168 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 168, nxpk= 0, iat=1530,1538, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  95 ASP- HB3    96 ILE  HB      5.13             (#peak 2237 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2237, nxpk= 0, iat=1531,1542, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  95 ASP- HB3    96 ILE  HG12    5.14             (#peak 2298 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2298, nxpk= 0, iat=1531,1548, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  95 ASP- HB3    96 ILE  HN      3.99             (#peak 164 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 164, nxpk= 0, iat=1531,1538, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  95 ASP- HB3    97 ILE  HN      5.50             (#peak 724 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 724, nxpk= 0, iat=1531,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  95 ASP- HB3    97 ILE  QD1     4.59             (#peak 167 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 167, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1570,1571,1572,
 &end
#
#  95 ASP- HN     95 ASP- HB3     4.14             (#peak 163 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 163, nxpk= 0, iat=1526,1531, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  96 ILE  HA     96 ILE  HG12    3.81             (#peak 955 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 955, nxpk= 0, iat=1540,1548, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  96 ILE  HA     96 ILE  HG13    3.80             (#peak 965 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 965, nxpk= 0, iat=1540,1549, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  96 ILE  HA     96 ILE  QD1     3.21             (#peak 191 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 191, nxpk= 0, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1551,1552,1553,
 &end
#
#  96 ILE  HA     96 ILE  QG2     2.89             (#peak 1657 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1657, nxpk= 0, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1544,1545,1546,
 &end
#
#  96 ILE  HA     97 ILE  HN      3.41             (#peak 58 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 58, nxpk= 0, iat=1540,1557, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  96 ILE  HA     97 ILE  QD1     3.12             (#peak 146 #SUP 0.52 #QF 0.52)
 &rst
  ixpk= 146, nxpk= 0, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1570,1571,1572,
 &end
#
#  96 ILE  HB     96 ILE  QD1     3.25             (#peak 431 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 431, nxpk= 0, iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1551,1552,1553,
 &end
#
#  96 ILE  HB     97 ILE  HN      4.26             (#peak 426 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 426, nxpk= 0, iat=1542,1557, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  96 ILE  HG12   97 ILE  HN      5.02             (#peak 725 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 725, nxpk= 0, iat=1548,1557, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  96 ILE  HN     96 ILE  HB      3.27             (#peak 429 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 429, nxpk= 0, iat=1538,1542, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  96 ILE  HN     96 ILE  HG12    3.64             (#peak 953 #SUP 1.00)
 &rst
  ixpk= 953, nxpk= 0, iat=1538,1548, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  96 ILE  HN     96 ILE  HG13    4.35             (#peak 966 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 966, nxpk= 0, iat=1538,1549, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  96 ILE  HN     96 ILE  QD1     3.84             (#peak 232 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 232, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1551,1552,1553,
 &end
#
#  96 ILE  HN     96 ILE  QG2     4.03             (#peak 231 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 231, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1544,1545,1546,
 &end
#
#  96 ILE  HN     97 ILE  HG13    5.50             (#peak 2633 #SUP 0.95 #QF 0.39)
 &rst
  ixpk= 2633, nxpk= 0, iat=1538,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  96 ILE  HN     97 ILE  HN      4.54             (#peak 729 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 729, nxpk= 0, iat=1538,1557, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  96 ILE  HN     97 ILE  QD1     4.83             (#peak 137 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 137, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1570,1571,1572,
 &end
#
#  96 ILE  QD1    97 ILE  HN      3.56             (#peak 187 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 187, nxpk= 0, iat=  -1,1557, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1551,1552,1553,
 &end
#
#  96 ILE  QG2    96 ILE  HG12    3.29             (#peak 958 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 958, nxpk= 0, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1544,1545,1546,
 &end
#
#  96 ILE  QG2    97 ILE  HN      3.09             (#peak 1652 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1652, nxpk= 0, iat=  -1,1557, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=1544,1545,1546,
 &end
#
#  96 ILE  QG2    98 ASP- HA      4.28             (#peak 1655 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1655, nxpk= 0, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1544,1545,1546,
 &end
#
#  96 ILE  QG2    98 ASP- HN      4.63             (#peak 73 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 73, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1544,1545,1546,
 &end
#
#  96 ILE  QG2    98 ASP- QB      5.01             (#peak 367)
 &rst
  ixpk= 367, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=1544,1545,1546,
 igr2=1580,1581,
 &end
#
#  97 ILE  HA     97 ILE  HG12    3.54             (#peak 962 #SUP 1.00)
 &rst
  ixpk= 962, nxpk= 0, iat=1559,1567, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  97 ILE  HA     97 ILE  HG13    3.51             (#peak 950 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 950, nxpk= 0, iat=1559,1568, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  97 ILE  HA     97 ILE  QD1     3.46             (#peak 875 #SUP 1.00)
 &rst
  ixpk= 875, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1570,1571,1572,
 &end
#
#  97 ILE  HA     97 ILE  QG2     2.84             (#peak 1672 #SUP 1.00)
 &rst
  ixpk= 1672, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1563,1564,1565,
 &end
#
#  97 ILE  HA     98 ASP- HA      4.54             (#peak 876 #SUP 1.00)
 &rst
  ixpk= 876, nxpk= 0, iat=1559,1578, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  97 ILE  HA     98 ASP- HN      2.90             (#peak 68 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 68, nxpk= 0, iat=1559,1576, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  97 ILE  HA     98 ASP- QB      4.42             (#peak 365)
 &rst
  ixpk= 365, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1580,1581,
 &end
#
#  97 ILE  HA     99 ILE  HN      4.07             (#peak 108 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 108, nxpk= 0, iat=1559,1588, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  97 ILE  HB     97 ILE  QD1     2.83             (#peak 151 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 151, nxpk= 0, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2=1570,1571,1572,
 &end
#
#  97 ILE  HB     98 ASP- HN      3.95             (#peak 418 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 418, nxpk= 0, iat=1561,1576, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  97 ILE  HG12   98 ASP- HN      4.97             (#peak 960 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 960, nxpk= 0, iat=1567,1576, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  97 ILE  HG13   98 ASP- HN      4.40             (#peak 948 #SUP 1.00)
 &rst
  ixpk= 948, nxpk= 0, iat=1568,1576, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  97 ILE  HN     97 ILE  HB      3.46             (#peak 419 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 419, nxpk= 0, iat=1557,1561, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  97 ILE  HN     97 ILE  HG12    4.17             (#peak 61 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 61, nxpk= 0, iat=1557,1567, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  97 ILE  HN     97 ILE  HG13    3.64             (#peak 949 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 949, nxpk= 0, iat=1557,1568, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  97 ILE  HN     97 ILE  QD1     3.39             (#peak 139 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 139, nxpk= 0, iat=1557,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1570,1571,1572,
 &end
#
#  97 ILE  HN     97 ILE  QG2     3.81             (#peak 62 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 62, nxpk= 0, iat=1557,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1563,1564,1565,
 &end
#
#  97 ILE  HN     98 ASP- HN      5.47             (#peak 57 #SUP 1.00 #QF 0.92)
 &rst
  ixpk= 57, nxpk= 0, iat=1557,1576, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  97 ILE  QG2   100 PRO  HD3     4.58             (#peak 1555 #SUP 1.00 #QF 0.85)
 &rst
  ixpk= 1555, nxpk= 0, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    97 ILE  HG13    2.97             (#peak 1674 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1674, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    98 ASP- HA      3.76             (#peak 1441 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1441, nxpk= 0, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    98 ASP- HB2     4.59             (#peak 362 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 362, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    98 ASP- HB3     4.59             (#peak 1680 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1680, nxpk= 0, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    98 ASP- HN      2.99             (#peak 1669 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1669, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    98 ASP- QB      3.99             (#peak 362)
 &rst
  ixpk= 362, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1563,1564,1565,
 igr2=1580,1581,
 &end
#
#  97 ILE  QG2    99 ILE  HA      3.71             (#peak 1678 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1678, nxpk= 0, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    99 ILE  HG12    3.09             (#peak 1038 #SUP 1.00 #QF 0.83)
 &rst
  ixpk= 1038, nxpk= 0, iat=  -1,1598, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=1563,1564,1565,
 &end
#
#  97 ILE  QG2    99 ILE  HN      3.09             (#peak 1670 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1670, nxpk= 0, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=1563,1564,1565,
 &end
#
#  98 ASP- HA     99 ILE  HB      4.69             (#peak 433 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 433, nxpk= 0, iat=1578,1592, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  98 ASP- HA     99 ILE  HG12    4.30             (#peak 1049 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1049, nxpk= 0, iat=1578,1598, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  98 ASP- HN     98 ASP- HB2     3.21             (#peak 351 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 351, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  98 ASP- HN     98 ASP- HB3     3.21             (#peak 352 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 352, nxpk= 0, iat=1576,1581, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  98 ASP- HN     99 ILE  HA      4.50             (#peak 1053 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1053, nxpk= 0, iat=1576,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 ASP- HN     99 ILE  HN      3.21             (#peak 109 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 109, nxpk= 0, iat=1576,1588, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  98 ASP- QB     99 ILE  HN      3.12             (#peak 114)
 &rst
  ixpk= 114, nxpk= 0, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=1580,1581,
 &end
#
#  99 ILE  HA    100 PRO  HD2     2.62             (#peak 1557 #SUP 1.00)
 &rst
  ixpk= 1557, nxpk= 0, iat=1590,1608, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
#  99 ILE  HA    100 PRO  HD3     2.66             (#peak 1549 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1549, nxpk= 0, iat=1590,1609, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
#  99 ILE  HA    100 PRO  QG      4.28             (#peak 1059)
 &rst
  ixpk= 1059, nxpk= 0, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1611,1612,
 &end
#
#  99 ILE  HA     99 ILE  HG12    3.31             (#peak 1062 #SUP 1.00)
 &rst
  ixpk= 1062, nxpk= 0, iat=1590,1598, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  99 ILE  HA     99 ILE  HG13    3.89             (#peak 1061 #SUP 1.00)
 &rst
  ixpk= 1061, nxpk= 0, iat=1590,1599, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  99 ILE  HA     99 ILE  QD1     3.12             (#peak 174 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 174, nxpk= 0, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1601,1602,1603,
 &end
#
#  99 ILE  HA     99 ILE  QG2     2.71             (#peak 1683 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1683, nxpk= 0, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2=1594,1595,1596,
 &end
#
#  99 ILE  HB    100 PRO  HD2     4.19             (#peak 436 #SUP 1.00)
 &rst
  ixpk= 436, nxpk= 0, iat=1592,1608, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  99 ILE  HB     99 ILE  HG13    3.00             (#peak 1026 #SUP 1.00)
 &rst
  ixpk= 1026, nxpk= 0, iat=1592,1599, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  99 ILE  HB     99 ILE  QD1     3.27             (#peak 440 #SUP 1.00)
 &rst
  ixpk= 440, nxpk= 0, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,1603,
 &end
#
#  99 ILE  HG12  100 PRO  HD2     5.05             (#peak 1571 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1571, nxpk= 0, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  99 ILE  HN    100 PRO  HD2     4.45             (#peak 1556 #SUP 1.00)
 &rst
  ixpk= 1556, nxpk= 0, iat=1588,1608, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  99 ILE  HN    100 PRO  HD3     4.00             (#peak 112 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 112, nxpk= 0, iat=1588,1609, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  99 ILE  HN     99 ILE  HG12    3.05             (#peak 118 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 118, nxpk= 0, iat=1588,1598, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  99 ILE  HN     99 ILE  QD1     3.38             (#peak 173 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 173, nxpk= 0, iat=1588,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1601,1602,1603,
 &end
#
#  99 ILE  QD1   100 PRO  HD2     3.79             (#peak 176 #SUP 1.00)
 &rst
  ixpk= 176, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1601,1602,1603,
 &end
#
#  99 ILE  QD1   100 PRO  HD3     3.76             (#peak 183 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 183, nxpk= 0, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1601,1602,1603,
 &end
#
#  99 ILE  QG2   100 PRO  HA      4.45             (#peak 702 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 702, nxpk= 0, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1594,1595,1596,
 &end
#
#  99 ILE  QG2   100 PRO  HD2     3.04             (#peak 1685 #SUP 1.00)
 &rst
  ixpk= 1685, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1594,1595,1596,
 &end
#
#  99 ILE  QG2   100 PRO  HD3     3.41             (#peak 1554 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1554, nxpk= 0, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1594,1595,1596,
 &end
#
#  99 ILE  QG2   100 PRO  QB      4.56             (#peak 626)
 &rst
  ixpk= 626, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1594,1595,1596,
 igr2=1614,1615,
 &end
#
#  99 ILE  QG2   100 PRO  QG      3.64             (#peak 973)
 &rst
  ixpk= 973, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1594,1595,1596,
 igr2=1611,1612,
 &end
#
#  99 ILE  QG2    99 ILE  HG12    3.25             (#peak 1037 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1037, nxpk= 0, iat=  -1,1598, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1=1594,1595,1596,
 &end
#
#  99 ILE  QG2    99 ILE  HG13    2.84             (#peak 1687 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1687, nxpk= 0, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1=1594,1595,1596,
 &end
#
# 100 PRO  HA    101 LYS+ HN      2.55             (#peak 695 #SUP 1.00)
 &rst
  ixpk= 695, nxpk= 0, iat=1617,1621, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 100 PRO  HA    101 LYS+ QG      4.54             (#peak 701)
 &rst
  ixpk= 701, nxpk= 0, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1628,1629,
 &end
#
# 100 PRO  HB2   101 LYS+ HN      3.53             (#peak 636 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 636, nxpk= 0, iat=1614,1621, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 100 PRO  HB3   101 LYS+ HN      3.53             (#peak 161 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 161, nxpk= 0, iat=1615,1621, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 100 PRO  HD3   101 LYS+ HN      5.50             (#peak 2320 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2320, nxpk= 0, iat=1609,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 PRO  QB    101 LYS+ HN      2.90             (#peak 161)
 &rst
  ixpk= 161, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1614,1615,
 &end
#
# 101 LYS+ HA    101 LYS+ HB2     2.78             (#peak 1306 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1306, nxpk= 0, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 101 LYS+ HA    101 LYS+ HB3     2.84             (#peak 599 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 599, nxpk= 0, iat=1623,1626, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 101 LYS+ HA    101 LYS+ HG2     4.23             (#peak 1307 #SUP 0.86 #QF 0.60)
 &rst
  ixpk= 1307, nxpk= 0, iat=1623,1628, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 101 LYS+ HA    101 LYS+ HG3     4.23             (#peak 1205 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1205, nxpk= 0, iat=1623,1629, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 101 LYS+ HA    101 LYS+ QG      3.55             (#peak 1205)
 &rst
  ixpk= 1205, nxpk= 0, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1628,1629,
 &end
#
# 101 LYS+ HG2   102 LYS+ HN      3.82             (#peak 101 #SUP 0.68 #QF 0.45)
 &rst
  ixpk= 101, nxpk= 0, iat=1628,1643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 101 LYS+ HG3   102 LYS+ HN      3.82             (#peak 101 #SUP 0.68 #QF 0.45)
 &rst
  ixpk= 101, nxpk= 0, iat=1629,1643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 101 LYS+ HN    101 LYS+ HB3     2.85             (#peak 163 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 163, nxpk= 0, iat=1621,1626, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 101 LYS+ HN    101 LYS+ QG      2.93             (#peak 164)
 &rst
  ixpk= 164, nxpk= 0, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1628,1629,
 &end
#
# 101 LYS+ QG    102 LYS+ HN      3.34             (#peak 101)
 &rst
  ixpk= 101, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1628,1629,
 &end
#
# 102 LYS+ HA    102 LYS+ HG2     3.84             (#peak 1209 #SUP 0.52 #QF 0.24)
 &rst
  ixpk= 1209, nxpk= 0, iat=1645,1650, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 102 LYS+ HA    102 LYS+ HG3     3.84             (#peak 1209 #SUP 0.52 #QF 0.24)
 &rst
  ixpk= 1209, nxpk= 0, iat=1645,1651, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 102 LYS+ HA    102 LYS+ QB      2.62             (#peak 1273)
 &rst
  ixpk= 1273, nxpk= 0, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
 igr2=1647,1648,
 &end
#
# 102 LYS+ HA    102 LYS+ QG      3.36             (#peak 1209)
 &rst
  ixpk= 1209, nxpk= 0, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1650,1651,
 &end
#
# 102 LYS+ HA    103 GLY  QA      5.34             (#peak 1247)
 &rst
  ixpk= 1247, nxpk= 0, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1667,1668,
 &end
#
# 102 LYS+ HN    102 LYS+ HB2     2.94             (#peak 99 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 99, nxpk= 0, iat=1643,1647, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 102 LYS+ HN    102 LYS+ HB3     2.94             (#peak 100 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 100, nxpk= 0, iat=1643,1648, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 102 LYS+ HN    102 LYS+ QB      2.57             (#peak 99)
 &rst
  ixpk= 99, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=1647,1648,
 &end
#
# 102 LYS+ QB    102 LYS+ QE      4.44             (#peak 600)
 &rst
  ixpk= 600, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1647,1648,
 igr2=1656,1657,
 &end
#
# 103 GLY  QA    104 VAL  HN      2.89             (#peak 156)
 &rst
  ixpk= 156, nxpk= 0, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1=1667,1668,
 &end
#
# 104 VAL  HN    104 VAL  HB      3.11             (#peak 157 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 157, nxpk= 0, iat=1672,1676, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 104 VAL  HN    104 VAL  QQG     3.03             (#peak 158)
 &rst
  ixpk= 158, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1678,1679,1680,1682,1683,1684,
 &end
# 1791 atoms read from pdb file leap.pdb.
# 17 PRO PSI:  (17 PRO N)-(17 PRO CA)-(17 PRO C)-(18 GLU N) -69.0  -9.0
 &rst     iat =   225,   235,   237,   239,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 18 GLU PHI:  (17 PRO C)-(18 GLU N)-(18 GLU CA)-(18 GLU C) -92.0 -32.0
 &rst     iat =   237,   239,   241,   252,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 18 GLU PSI:  (18 GLU N)-(18 GLU CA)-(18 GLU C)-(19 GLU N) -72.0 -12.0
 &rst     iat =   239,   241,   252,   254,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 19 GLU PHI:  (18 GLU C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -95.0 -35.0
 &rst     iat =   252,   254,   256,   267,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 LEU N) -72.0 -12.0
 &rst     iat =   254,   256,   267,   269,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 20 LEU PHI:  (19 GLU C)-(20 LEU N)-(20 LEU CA)-(20 LEU C) -93.0 -33.0
 &rst     iat =   267,   269,   271,   286,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 20 LEU PSI:  (20 LEU N)-(20 LEU CA)-(20 LEU C)-(21 LYS N) -71.0 -11.0
 &rst     iat =   269,   271,   286,   288,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 21 LYS PHI:  (20 LEU C)-(21 LYS N)-(21 LYS CA)-(21 LYS C) -93.0 -33.0
 &rst     iat =   286,   288,   290,   308,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 21 LYS PSI:  (21 LYS N)-(21 LYS CA)-(21 LYS C)-(22 ALA N) -69.0  -9.0
 &rst     iat =   288,   290,   308,   310,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 22 ALA PHI:  (21 LYS C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -94.0 -34.0
 &rst     iat =   308,   310,   312,   318,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 ALA N) -73.0 -13.0
 &rst     iat =   310,   312,   318,   320,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 23 ALA PHI:  (22 ALA C)-(23 ALA N)-(23 ALA CA)-(23 ALA C) -96.0 -36.0
 &rst     iat =   318,   320,   322,   328,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 23 ALA PSI:  (23 ALA N)-(23 ALA CA)-(23 ALA C)-(24 SER N) -68.0  -8.0
 &rst     iat =   320,   322,   328,   330,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 24 SER PHI:  (23 ALA C)-(24 SER N)-(24 SER CA)-(24 SER C) -99.0 -39.0
 &rst     iat =   328,   330,   332,   339,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end
# 24 SER PSI:  (24 SER N)-(24 SER CA)-(24 SER C)-(25 ARG N) -68.0  -8.0
 &rst     iat =   330,   332,   339,   341,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 25 ARG PHI:  (24 SER C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -94.0 -34.0
 &rst     iat =   339,   341,   343,   363,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 GLY N) -73.0 -13.0
 &rst     iat =   341,   343,   363,   365,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 26 GLY PHI:  (25 ARG C)-(26 GLY N)-(26 GLY CA)-(26 GLY C) -93.0 -33.0
 &rst     iat =   363,   365,   367,   370,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 26 GLY PSI:  (26 GLY N)-(26 GLY CA)-(26 GLY C)-(27 ASN N) -66.0  -6.0
 &rst     iat =   365,   367,   370,   372,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end
# 27 ASN PHI:  (26 GLY C)-(27 ASN N)-(27 ASN CA)-(27 ASN C) -101.0 -41.0
 &rst     iat =   370,   372,   374,   384,
   r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
 &end
# 27 ASN PSI:  (27 ASN N)-(27 ASN CA)-(27 ASN C)-(28 GLY N) -65.0  -5.0
 &rst     iat =   372,   374,   384,   386,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 32 TRP PHI:  (31 ALA C)-(32 TRP N)-(32 TRP CA)-(32 TRP C) -150.0 -90.0
 &rst     iat =   437,   439,   441,   461,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end
# 32 TRP PSI:  (32 TRP N)-(32 TRP CA)-(32 TRP C)-(33 TYR N) 118.0 178.0
 &rst     iat =   439,   441,   461,   463,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end
# 33 TYR PHI:  (32 TRP C)-(33 TYR N)-(33 TYR CA)-(33 TYR C) -169.0 -109.0
 &rst     iat =   461,   463,   465,   482,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end
# 33 TYR PSI:  (33 TYR N)-(33 TYR CA)-(33 TYR C)-(34 TYR N) 126.0 186.0
 &rst     iat =   463,   465,   482,   484,
   r1 = 125.0, r2 = 126.0, r3 = 186.0, r4 = 187.0,
 &end
# 37 ARG PHI:  (36 GLY C)-(37 ARG N)-(37 ARG CA)-(37 ARG C) -92.0 -32.0
 &rst     iat =   525,   527,   529,   549,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 37 ARG PSI:  (37 ARG N)-(37 ARG CA)-(37 ARG C)-(38 ASN N) -69.0  -9.0
 &rst     iat =   527,   529,   549,   551,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 38 ASN PHI:  (37 ARG C)-(38 ASN N)-(38 ASN CA)-(38 ASN C) -106.0 -46.0
 &rst     iat =   549,   551,   553,   563,
   r1 = -107.0, r2 = -106.0, r3 = -46.0, r4 = -45.0,
 &end
# 38 ASN PSI:  (38 ASN N)-(38 ASN CA)-(38 ASN C)-(39 GLY N) -59.0   1.0
 &rst     iat =   551,   553,   563,   565,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end
# 43 TYR PHI:  (42 GLN C)-(43 TYR N)-(43 TYR CA)-(43 TYR C) -91.0 -31.0
 &rst     iat =   635,   637,   639,   656,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 45 GLU PSI:  (45 GLU N)-(45 GLU CA)-(45 GLU C)-(46 ARG N) -75.0 -15.0
 &rst     iat =   670,   672,   683,   685,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 46 ARG PHI:  (45 GLU C)-(46 ARG N)-(46 ARG CA)-(46 ARG C) -95.0 -35.0
 &rst     iat =   683,   685,   687,   707,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 46 ARG PSI:  (46 ARG N)-(46 ARG CA)-(46 ARG C)-(47 THR N) -71.0 -11.0
 &rst     iat =   685,   687,   707,   709,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 47 THR PHI:  (46 ARG C)-(47 THR N)-(47 THR CA)-(47 THR C) -95.0 -35.0
 &rst     iat =   707,   709,   711,   721,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 47 THR PSI:  (47 THR N)-(47 THR CA)-(47 THR C)-(48 SER N) -74.0 -14.0
 &rst     iat =   709,   711,   721,   723,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 48 SER PHI:  (47 THR C)-(48 SER N)-(48 SER CA)-(48 SER C) -90.0 -30.0
 &rst     iat =   721,   723,   725,   732,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 48 SER PSI:  (48 SER N)-(48 SER CA)-(48 SER C)-(49 ARG N) -77.0 -17.0
 &rst     iat =   723,   725,   732,   734,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end
# 49 ARG PHI:  (48 SER C)-(49 ARG N)-(49 ARG CA)-(49 ARG C) -95.0 -35.0
 &rst     iat =   732,   734,   736,   756,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 49 ARG PSI:  (49 ARG N)-(49 ARG CA)-(49 ARG C)-(50 GLU N) -72.0 -12.0
 &rst     iat =   734,   736,   756,   758,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 50 GLU PHI:  (49 ARG C)-(50 GLU N)-(50 GLU CA)-(50 GLU C) -93.0 -33.0
 &rst     iat =   756,   758,   760,   771,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 50 GLU PSI:  (50 GLU N)-(50 GLU CA)-(50 GLU C)-(51 LEU N) -74.0 -14.0
 &rst     iat =   758,   760,   771,   773,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 51 LEU PHI:  (50 GLU C)-(51 LEU N)-(51 LEU CA)-(51 LEU C) -95.0 -35.0
 &rst     iat =   771,   773,   775,   790,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 51 LEU PSI:  (51 LEU N)-(51 LEU CA)-(51 LEU C)-(52 GLU N) -74.0 -14.0
 &rst     iat =   773,   775,   790,   792,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 52 GLU PHI:  (51 LEU C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -93.0 -33.0
 &rst     iat =   790,   792,   794,   805,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 ASP N) -74.0 -14.0
 &rst     iat =   792,   794,   805,   807,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 53 ASP PHI:  (52 GLU C)-(53 ASP N)-(53 ASP CA)-(53 ASP C) -93.0 -33.0
 &rst     iat =   805,   807,   809,   817,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 53 ASP PSI:  (53 ASP N)-(53 ASP CA)-(53 ASP C)-(54 ALA N) -71.0 -11.0
 &rst     iat =   807,   809,   817,   819,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 54 ALA PHI:  (53 ASP C)-(54 ALA N)-(54 ALA CA)-(54 ALA C) -94.0 -34.0
 &rst     iat =   817,   819,   821,   827,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 54 ALA PSI:  (54 ALA N)-(54 ALA CA)-(54 ALA C)-(55 PHE N) -71.0 -11.0
 &rst     iat =   819,   821,   827,   829,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 55 PHE PHI:  (54 ALA C)-(55 PHE N)-(55 PHE CA)-(55 PHE C) -94.0 -34.0
 &rst     iat =   827,   829,   831,   847,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 55 PHE PSI:  (55 PHE N)-(55 PHE CA)-(55 PHE C)-(56 SER N) -74.0 -14.0
 &rst     iat =   829,   831,   847,   849,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 56 SER PHI:  (55 PHE C)-(56 SER N)-(56 SER CA)-(56 SER C) -91.0 -31.0
 &rst     iat =   847,   849,   851,   858,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 56 SER PSI:  (56 SER N)-(56 SER CA)-(56 SER C)-(57 LYS N) -73.0 -13.0
 &rst     iat =   849,   851,   858,   860,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 57 LYS PHI:  (56 SER C)-(57 LYS N)-(57 LYS CA)-(57 LYS C) -95.0 -35.0
 &rst     iat =   858,   860,   862,   880,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 58 GLY PSI:  (58 GLY N)-(58 GLY CA)-(58 GLY C)-(59 LYS N) -68.0  -8.0
 &rst     iat =   882,   884,   887,   889,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 59 LYS PHI:  (58 GLY C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -94.0 -34.0
 &rst     iat =   887,   889,   891,   909,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 60 LYS PSI:  (60 LYS N)-(60 LYS CA)-(60 LYS C)-(61 ASN N) -55.0   5.0
 &rst     iat =   911,   913,   931,   933,
   r1 = -56.0, r2 = -55.0, r3 =   5.0, r4 =   6.0,
 &end
# 63 GLU PHI:  (62 THR C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -142.0 -82.0
 &rst     iat =   959,   961,   963,   974,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end
# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) 115.0 175.0
 &rst     iat =   961,   963,   974,   976,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end
# 65 LEU PHI:  (64 MET C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -139.0 -79.0
 &rst     iat =   991,   993,   995,  1010,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end
# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 ILE N) 101.0 161.0
 &rst     iat =   993,   995,  1010,  1012,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end
# 67 ALA PHI:  (66 ILE C)-(67 ALA N)-(67 ALA CA)-(67 ALA C) -90.0 -30.0
 &rst     iat =  1029,  1031,  1033,  1039,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 67 ALA PSI:  (67 ALA N)-(67 ALA CA)-(67 ALA C)-(68 GLY N)  90.0 150.0
 &rst     iat =  1031,  1033,  1039,  1041,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end
# 70 LEU PHI:  (69 PHE C)-(70 LEU N)-(70 LEU CA)-(70 LEU C) -127.0 -67.0
 &rst     iat =  1066,  1068,  1070,  1085,
   r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
 &end
# 70 LEU PSI:  (70 LEU N)-(70 LEU CA)-(70 LEU C)-(71 TYR N) 108.0 168.0
 &rst     iat =  1068,  1070,  1085,  1087,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end
# 71 TYR PHI:  (70 LEU C)-(71 TYR N)-(71 TYR CA)-(71 TYR C) -134.0 -74.0
 &rst     iat =  1085,  1087,  1089,  1106,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
 &end
# 71 TYR PSI:  (71 TYR N)-(71 TYR CA)-(71 TYR C)-(72 VAL N) 120.0 180.0
 &rst     iat =  1087,  1089,  1106,  1108,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end
# 75 LEU PHI:  (74 ASP C)-(75 LEU N)-(75 LEU CA)-(75 LEU C) -94.0 -34.0
 &rst     iat =  1144,  1146,  1148,  1163,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 75 LEU PSI:  (75 LEU N)-(75 LEU CA)-(75 LEU C)-(76 GLU N) -67.0  -7.0
 &rst     iat =  1146,  1148,  1163,  1165,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 76 GLU PHI:  (75 LEU C)-(76 GLU N)-(76 GLU CA)-(76 GLU C) -95.0 -35.0
 &rst     iat =  1163,  1165,  1167,  1178,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 76 GLU PSI:  (76 GLU N)-(76 GLU CA)-(76 GLU C)-(77 ASN N) -70.0 -10.0
 &rst     iat =  1165,  1167,  1178,  1180,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 77 ASN PHI:  (76 GLU C)-(77 ASN N)-(77 ASN CA)-(77 ASN C) -101.0 -41.0
 &rst     iat =  1178,  1180,  1182,  1192,
   r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
 &end
# 77 ASN PSI:  (77 ASN N)-(77 ASN CA)-(77 ASN C)-(78 MET N) -65.0  -5.0
 &rst     iat =  1180,  1182,  1192,  1194,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 80 GLN PHI:  (79 VAL C)-(80 GLN N)-(80 GLN CA)-(80 GLN C) -161.0 -101.0
 &rst     iat =  1225,  1227,  1229,  1242,
   r1 = -162.0, r2 = -161.0, r3 = -101.0, r4 = -100.0,
 &end
# 80 GLN PSI:  (80 GLN N)-(80 GLN CA)-(80 GLN C)-(81 TYR N) 120.0 180.0
 &rst     iat =  1227,  1229,  1242,  1244,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end
# 81 TYR PHI:  (80 GLN C)-(81 TYR N)-(81 TYR CA)-(81 TYR C) -148.0 -88.0
 &rst     iat =  1242,  1244,  1246,  1263,
   r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
 &end
# 81 TYR PSI:  (81 TYR N)-(81 TYR CA)-(81 TYR C)-(82 ARG N) 119.0 179.0
 &rst     iat =  1244,  1246,  1263,  1265,
   r1 = 118.0, r2 = 119.0, r3 = 179.0, r4 = 180.0,
 &end
# 83 ARG PHI:  (82 ARG C)-(83 ARG N)-(83 ARG CA)-(83 ARG C) -92.0 -32.0
 &rst     iat =  1287,  1289,  1291,  1311,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 83 ARG PSI:  (83 ARG N)-(83 ARG CA)-(83 ARG C)-(84 ASN N) -74.0 -14.0
 &rst     iat =  1289,  1291,  1311,  1313,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 84 ASN PHI:  (83 ARG C)-(84 ASN N)-(84 ASN CA)-(84 ASN C) -98.0 -38.0
 &rst     iat =  1311,  1313,  1315,  1325,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 84 ASN PSI:  (84 ASN N)-(84 ASN CA)-(84 ASN C)-(85 GLU N) -65.0  -5.0
 &rst     iat =  1313,  1315,  1325,  1327,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 85 GLU PHI:  (84 ASN C)-(85 GLU N)-(85 GLU CA)-(85 GLU C) -102.0 -42.0
 &rst     iat =  1325,  1327,  1329,  1340,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end
# 86 HIS PHI:  (85 GLU C)-(86 HIE N)-(86 HIE CA)-(86 HIE C) -93.0 -33.0
 &rst     iat =  1340,  1342,  1344,  1357,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 86 HIS PSI:  (86 HIE N)-(86 HIE CA)-(86 HIE C)-(87 GLY N) -76.0 -16.0
 &rst     iat =  1342,  1344,  1357,  1359,
   r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
 &end
# 87 GLY PHI:  (86 HIE C)-(87 GLY N)-(87 GLY CA)-(87 GLY C) -92.0 -32.0
 &rst     iat =  1357,  1359,  1361,  1364,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 87 GLY PSI:  (87 GLY N)-(87 GLY CA)-(87 GLY C)-(88 ARG N) -66.0  -6.0
 &rst     iat =  1359,  1361,  1364,  1366,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end
# 92 ILE PHI:  (91 LYS C)-(92 ILE N)-(92 ILE CA)-(92 ILE C) -163.0 -103.0
 &rst     iat =  1458,  1460,  1462,  1477,
   r1 = -164.0, r2 = -163.0, r3 = -103.0, r4 = -102.0,
 &end
# 92 ILE PSI:  (92 ILE N)-(92 ILE CA)-(92 ILE C)-(93 LYS N) 123.0 183.0
 &rst     iat =  1460,  1462,  1477,  1479,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end
# 93 LYS PHI:  (92 ILE C)-(93 LYS N)-(93 LYS CA)-(93 LYS C) -155.0 -95.0
 &rst     iat =  1477,  1479,  1481,  1499,
   r1 = -156.0, r2 = -155.0, r3 = -95.0, r4 = -94.0,
 &end
# 93 LYS PSI:  (93 LYS N)-(93 LYS CA)-(93 LYS C)-(94 ARG N) 105.0 165.0
 &rst     iat =  1479,  1481,  1499,  1501,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end
# 94 ARG PHI:  (93 LYS C)-(94 ARG N)-(94 ARG CA)-(94 ARG C) -134.0 -74.0
 &rst     iat =  1499,  1501,  1503,  1523,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
 &end
# 94 ARG PSI:  (94 ARG N)-(94 ARG CA)-(94 ARG C)-(95 ASP N)  92.0 152.0
 &rst     iat =  1501,  1503,  1523,  1525,
   r1 =  91.0, r2 =  92.0, r3 = 152.0, r4 = 153.0,
 &end
# 101 LYS PHI:  (100 PRO C)-(101 LYS N)-(101 LYS CA)-(101 LYS C) -98.0 -38.0
 &rst     iat =  1618,  1620,  1622,  1640,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 101 LYS PSI:  (101 LYS N)-(101 LYS CA)-(101 LYS C)-(102 LYS N) -69.0  -9.0
 &rst     iat =  1620,  1622,  1640,  1642,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 102 LYS PHI:  (101 LYS C)-(102 LYS N)-(102 LYS CA)-(102 LYS C) -98.0 -38.0
 &rst     iat =  1640,  1642,  1644,  1662,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 102 LYS PSI:  (102 LYS N)-(102 LYS CA)-(102 LYS C)-(103 GLY N) -67.0  -7.0
 &rst     iat =  1642,  1644,  1662,  1664,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 103 GLY PHI:  (102 LYS C)-(103 GLY N)-(103 GLY CA)-(103 GLY C) -92.0 -32.0
 &rst     iat =  1662,  1664,  1666,  1669,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 103 GLY PSI:  (103 GLY N)-(103 GLY CA)-(103 GLY C)-(104 VAL N) -69.0  -9.0
 &rst     iat =  1664,  1666,  1669,  1671,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO   1           HA       PRO   1  -4.509  33.242  -4.277
    2    HB2  PRO   1           1HB      PRO   1  -4.647  32.566  -1.341
    3    HB3  PRO   1           2HB      PRO   1  -3.309  33.282  -2.287
    4    HG2  PRO   1           1HG      PRO   1  -5.407  34.650  -0.810
    5    HG3  PRO   1           2HG      PRO   1  -4.140  35.417  -1.813
    6    HD2  PRO   1           1HD      PRO   1  -6.822  35.506  -2.472
    7    HD3  PRO   1           2HD      PRO   1  -5.502  35.549  -3.665
    8    H    SER   2           H        SER   2  -3.442  31.155  -4.364
    9    HA   SER   2           HA       SER   2  -4.713  28.687  -3.548
   10    HB2  SER   2           1HB      SER   2  -5.215  27.864  -5.824
   11    HB3  SER   2           2HB      SER   2  -6.253  29.213  -5.359
   12    HG   SER   2           HG       SER   2  -5.453  29.438  -7.510
   13    H    SER   3           H        SER   3  -3.500  26.752  -4.460
   14    HA   SER   3           HA       SER   3  -0.860  27.189  -5.632
   15    HB2  SER   3           1HB      SER   3  -0.420  27.833  -3.304
   16    HB3  SER   3           2HB      SER   3  -1.140  26.321  -2.727
   17    HG   SER   3           HG       SER   3   1.256  26.416  -2.949
   18    H    GLY   4           H        GLY   4   0.159  25.239  -6.266
   19    HA2  GLY   4           1HA      GLY   4  -1.489  22.874  -6.664
   20    HA3  GLY   4           2HA      GLY   4   0.255  23.033  -6.987
   21    H    SER   5           H        SER   5   0.500  23.991  -4.030
   22    HA   SER   5           HA       SER   5   0.851  21.361  -2.778
   23    HB2  SER   5           1HB      SER   5   1.191  24.159  -1.644
   24    HB3  SER   5           2HB      SER   5   1.724  22.648  -0.888
   25    HG   SER   5           HG       SER   5   3.434  23.712  -2.027
   26    H    SER   6           H        SER   6  -1.901  23.382  -3.080
   27    HA   SER   6           HA       SER   6  -3.069  22.811  -0.459
   28    HB2  SER   6           1HB      SER   6  -4.371  23.837  -3.004
   29    HB3  SER   6           2HB      SER   6  -5.066  23.878  -1.381
   30    HG   SER   6           HG       SER   6  -3.453  25.344  -0.745
   31    H    GLY   7           H        GLY   7  -2.543  20.777  -3.048
   32    HA2  GLY   7           1HA      GLY   7  -4.729  18.901  -2.222
   33    HA3  GLY   7           2HA      GLY   7  -4.393  19.198  -3.926
   34    H    PHE   8           H        PHE   8  -4.312  16.694  -3.145
   35    HA   PHE   8           HA       PHE   8  -1.623  15.754  -2.477
   36    HB2  PHE   8           1HB      PHE   8  -4.155  14.331  -3.390
   37    HB3  PHE   8           2HB      PHE   8  -2.669  13.511  -2.955
   38    HD1  PHE   8           2HD      PHE   8  -1.754  13.650  -0.614
   39    HD2  PHE   8           1HD      PHE   8  -5.683  15.097  -1.654
   40    HE1  PHE   8           2HE      PHE   8  -2.410  13.593   1.780
   41    HE2  PHE   8           1HE      PHE   8  -6.333  15.042   0.741
   42    HZ   PHE   8           HZ       PHE   8  -4.700  14.290   2.461
   43    H    LEU   9           H        LEU   9  -0.582  14.084  -3.878
   44    HA   LEU   9           HA       LEU   9  -0.788  14.487  -6.792
   45    HB2  LEU   9           1HB      LEU   9   0.783  16.228  -5.966
   46    HB3  LEU   9           2HB      LEU   9   1.732  14.989  -5.149
   47    HG   LEU   9           HG       LEU   9   2.323  13.985  -7.349
   48   HD11  LEU   9          1HD1      LEU   9   0.383  14.665  -8.721
   49   HD12  LEU   9          2HD1      LEU   9   0.822  16.376  -8.522
   50   HD13  LEU   9          3HD1      LEU   9   1.878  15.275  -9.434
   51   HD21  LEU   9          3HD2      LEU   9   3.852  15.780  -8.054
   52   HD22  LEU   9          1HD2      LEU   9   2.913  16.967  -7.121
   53   HD23  LEU   9          2HD2      LEU   9   3.786  15.661  -6.288
   54    H    ASP  10           H        ASP  10  -0.147  12.726  -7.959
   55    HA   ASP  10           HA       ASP  10   0.337  10.192  -6.452
   56    HB2  ASP  10           1HB      ASP  10  -0.855  10.737  -9.190
   57    HB3  ASP  10           2HB      ASP  10  -0.575   9.137  -8.512
   58    H    LYS  11           H        LYS  11   1.700   8.634  -7.212
   59    HA   LYS  11           HA       LYS  11   4.219   9.343  -8.401
   60    HB2  LYS  11           1HB      LYS  11   2.750   6.840  -7.538
   61    HB3  LYS  11           2HB      LYS  11   4.187   6.656  -8.521
   62    HG2  LYS  11           1HG      LYS  11   4.911   8.552  -6.509
   63    HG3  LYS  11           2HG      LYS  11   3.952   7.320  -5.680
   64    HD2  LYS  11           1HD      LYS  11   5.424   5.559  -6.684
   65    HD3  LYS  11           2HD      LYS  11   6.403   6.825  -7.441
   66    HE2  LYS  11           1HE      LYS  11   5.950   6.533  -4.428
   67    HE3  LYS  11           2HE      LYS  11   7.336   5.861  -5.293
   68    HZ1  LYS  11           3HZ      LYS  11   7.917   7.953  -4.322
   69    HZ2  LYS  11           1HZ      LYS  11   7.941   8.133  -5.947
   70    HZ3  LYS  11           2HZ      LYS  11   6.695   8.747  -5.071
   71    HA   PRO  12           HA       PRO  12   3.604   9.220 -12.657
   72    HB2  PRO  12           1HB      PRO  12   5.837   8.047 -13.723
   73    HB3  PRO  12           2HB      PRO  12   5.849   9.621 -12.883
   74    HG2  PRO  12           1HG      PRO  12   6.461   6.876 -11.758
   75    HG3  PRO  12           2HG      PRO  12   7.465   8.359 -11.602
   76    HD2  PRO  12           1HD      PRO  12   5.775   7.576  -9.628
   77    HD3  PRO  12           2HD      PRO  12   5.965   9.298 -10.004
   78    H    THR  13           H        THR  13   3.642   7.889 -14.668
   79    HA   THR  13           HA       THR  13   2.863   5.130 -14.702
   80    HB   THR  13           HB       THR  13   1.015   6.078 -13.268
   81    HG1  THR  13           1HG      THR  13   0.385   4.328 -14.291
   82   HG21  THR  13          3HG2      THR  13  -0.760   7.360 -14.554
   83   HG22  THR  13          1HG2      THR  13   0.683   8.281 -14.086
   84   HG23  THR  13          2HG2      THR  13   0.464   7.740 -15.759
   85    H    LEU  14           H        LEU  14   1.298   4.876 -16.634
   86    HA   LEU  14           HA       LEU  14   2.333   6.357 -19.028
   87    HB2  LEU  14           1HB      LEU  14   1.013   3.633 -18.758
   88    HB3  LEU  14           2HB      LEU  14   1.674   4.294 -20.240
   89    HG   LEU  14           HG       LEU  14   3.618   4.091 -17.925
   90   HD11  LEU  14          1HD1      LEU  14   2.304   2.065 -17.660
   91   HD12  LEU  14          2HD1      LEU  14   2.549   1.643 -19.373
   92   HD13  LEU  14          3HD1      LEU  14   3.937   1.690 -18.254
   93   HD21  LEU  14          3HD2      LEU  14   5.149   3.406 -19.700
   94   HD22  LEU  14          1HD2      LEU  14   3.818   3.346 -20.876
   95   HD23  LEU  14          2HD2      LEU  14   4.313   4.900 -20.165
   96    H    LEU  15           H        LEU  15  -0.362   5.820 -16.989
   97    HA   LEU  15           HA       LEU  15  -2.471   6.437 -18.924
   98    HB2  LEU  15           1HB      LEU  15  -2.754   6.455 -15.897
   99    HB3  LEU  15           2HB      LEU  15  -3.988   6.215 -17.119
  100    HG   LEU  15           HG       LEU  15  -1.815   4.229 -16.354
  101   HD11  LEU  15          1HD1      LEU  15  -3.700   4.474 -14.764
  102   HD12  LEU  15          2HD1      LEU  15  -4.850   4.155 -16.081
  103   HD13  LEU  15          3HD1      LEU  15  -3.714   2.891 -15.562
  104   HD21  LEU  15          3HD2      LEU  15  -2.957   2.658 -17.912
  105   HD22  LEU  15          1HD2      LEU  15  -3.957   4.000 -18.515
  106   HD23  LEU  15          2HD2      LEU  15  -2.192   4.004 -18.761
  107    H    SER  16           H        SER  16  -4.151   8.039 -17.610
  108    HA   SER  16           HA       SER  16  -2.980  10.763 -17.851
  109    HB2  SER  16           1HB      SER  16  -5.543   9.415 -18.694
  110    HB3  SER  16           2HB      SER  16  -5.505  11.122 -18.447
  111    HG   SER  16           HG       SER  16  -5.025  10.529 -20.651
  112    HA   PRO  17           HA       PRO  17  -4.355  11.813 -13.793
  113    HB2  PRO  17           1HB      PRO  17  -5.463  14.317 -14.094
  114    HB3  PRO  17           2HB      PRO  17  -3.707  13.981 -14.184
  115    HG2  PRO  17           1HG      PRO  17  -5.675  14.227 -16.487
  116    HG3  PRO  17           2HG      PRO  17  -4.061  15.000 -16.317
  117    HD2  PRO  17           1HD      PRO  17  -4.364  12.748 -17.758
  118    HD3  PRO  17           2HD      PRO  17  -2.928  12.982 -16.714
  119    H    GLU  18           H        GLU  18  -6.751  11.916 -16.373
  120    HA   GLU  18           HA       GLU  18  -9.025  11.774 -14.531
  121    HB2  GLU  18           1HB      GLU  18 -10.399  11.699 -16.531
  122    HB3  GLU  18           2HB      GLU  18  -9.242  13.026 -16.584
  123    HG2  GLU  18           1HG      GLU  18  -7.787  11.715 -18.111
  124    HG3  GLU  18           2HG      GLU  18  -8.932  10.369 -18.055
  125    H    GLU  19           H        GLU  19  -6.854   9.406 -15.689
  126    HA   GLU  19           HA       GLU  19  -8.793   7.172 -15.662
  127    HB2  GLU  19           1HB      GLU  19  -5.820   7.421 -16.195
  128    HB3  GLU  19           2HB      GLU  19  -6.559   5.871 -15.914
  129    HG2  GLU  19           1HG      GLU  19  -7.350   7.832 -18.112
  130    HG3  GLU  19           2HG      GLU  19  -6.281   6.448 -18.318
  131    H    LEU  20           H        LEU  20  -5.863   8.184 -13.955
  132    HA   LEU  20           HA       LEU  20  -5.771   6.278 -11.869
  133    HB2  LEU  20           1HB      LEU  20  -4.970   9.217 -11.836
  134    HB3  LEU  20           2HB      LEU  20  -4.375   8.015 -10.709
  135    HG   LEU  20           HG       LEU  20  -3.914   7.553 -13.677
  136   HD11  LEU  20          1HD1      LEU  20  -3.401   9.922 -13.188
  137   HD12  LEU  20          2HD1      LEU  20  -2.234   9.403 -11.953
  138   HD13  LEU  20          3HD1      LEU  20  -1.987   8.982 -13.675
  139   HD21  LEU  20          3HD2      LEU  20  -1.890   6.442 -12.859
  140   HD22  LEU  20          1HD2      LEU  20  -2.234   6.965 -11.200
  141   HD23  LEU  20          2HD2      LEU  20  -3.305   5.802 -12.014
  142    H    LYS  21           H        LYS  21  -7.144   9.576 -11.793
  143    HA   LYS  21           HA       LYS  21  -8.404   9.387  -9.230
  144    HB2  LYS  21           1HB      LYS  21  -8.813  11.105 -11.671
  145    HB3  LYS  21           2HB      LYS  21 -10.065  11.094 -10.445
  146    HG2  LYS  21           1HG      LYS  21  -8.481  12.930 -10.132
  147    HG3  LYS  21           2HG      LYS  21  -8.605  11.873  -8.726
  148    HD2  LYS  21           1HD      LYS  21  -6.442  10.879  -9.165
  149    HD3  LYS  21           2HD      LYS  21  -6.356  11.649 -10.757
  150    HE2  LYS  21           1HE      LYS  21  -6.441  13.898  -9.615
  151    HE3  LYS  21           2HE      LYS  21  -6.379  13.069  -8.054
  152    HZ1  LYS  21           3HZ      LYS  21  -4.184  13.802  -8.776
  153    HZ2  LYS  21           1HZ      LYS  21  -4.201  12.172  -8.688
  154    HZ3  LYS  21           2HZ      LYS  21  -4.277  12.917 -10.147
  155    H    ALA  22           H        ALA  22  -9.651   8.316 -12.428
  156    HA   ALA  22           HA       ALA  22 -12.301   7.706 -11.389
  157    HB1  ALA  22           1HB      ALA  22 -11.953   8.243 -13.746
  158    HB2  ALA  22           2HB      ALA  22 -10.906   6.819 -13.952
  159    HB3  ALA  22           3HB      ALA  22 -12.630   6.615 -13.583
  160    H    ALA  23           H        ALA  23  -9.363   5.724 -11.899
  161    HA   ALA  23           HA       ALA  23 -10.431   3.197 -11.186
  162    HB1  ALA  23           1HB      ALA  23  -8.183   3.622 -12.201
  163    HB2  ALA  23           2HB      ALA  23  -7.643   4.327 -10.654
  164    HB3  ALA  23           3HB      ALA  23  -8.084   2.613 -10.741
  165    H    SER  24           H        SER  24  -9.417   5.876  -9.121
  166    HA   SER  24           HA       SER  24  -9.715   4.322  -6.636
  167    HB2  SER  24           1HB      SER  24  -7.947   6.014  -6.947
  168    HB3  SER  24           2HB      SER  24  -9.184   7.278  -7.078
  169    HG   SER  24           HG       SER  24  -8.333   7.069  -4.925
  170    H    ARG  25           H        ARG  25 -11.349   7.261  -7.950
  171    HA   ARG  25           HA       ARG  25 -13.351   7.342  -5.947
  172    HB2  ARG  25           1HB      ARG  25 -13.079   8.630  -8.686
  173    HB3  ARG  25           2HB      ARG  25 -14.333   9.021  -7.545
  174    HG2  ARG  25           1HG      ARG  25 -11.342   9.415  -7.150
  175    HG3  ARG  25           2HG      ARG  25 -12.544  10.661  -7.455
  176    HD2  ARG  25           1HD      ARG  25 -12.312   8.950  -4.955
  177    HD3  ARG  25           2HD      ARG  25 -11.872  10.649  -5.134
  178    HE   ARG  25           HE       ARG  25 -14.479  10.728  -5.859
  179   HH11  ARG  25          1HH1      ARG  25 -12.960   9.371  -2.964
  180   HH12  ARG  25          2HH1      ARG  25 -14.393   9.588  -2.004
  181   HH21  ARG  25          1HH2      ARG  25 -16.290  10.970  -4.567
  182   HH22  ARG  25          2HH2      ARG  25 -16.245  10.491  -2.899
  183    H    GLY  26           H        GLY  26 -13.233   5.407  -8.813
  184    HA2  GLY  26           1HA      GLY  26 -16.047   4.984  -9.236
  185    HA3  GLY  26           2HA      GLY  26 -14.716   3.914  -9.738
  186    H    ASN  27           H        ASN  27 -13.947   3.825  -6.721
  187    HA   ASN  27           HA       ASN  27 -16.163   2.091  -5.696
  188    HB2  ASN  27           1HB      ASN  27 -13.202   1.403  -5.821
  189    HB3  ASN  27           2HB      ASN  27 -14.368   0.554  -4.806
  190   HD21  ASN  27          2HD2      ASN  27 -16.054  -0.723  -5.802
  191   HD22  ASN  27          1HD2      ASN  27 -15.843  -1.290  -7.446
  192    H    GLY  28           H        GLY  28 -13.140   3.845  -4.752
  193    HA2  GLY  28           1HA      GLY  28 -12.828   5.261  -2.921
  194    HA3  GLY  28           2HA      GLY  28 -14.453   4.862  -2.305
  195    H    GLU  29           H        GLU  29 -12.665   2.129  -3.114
  196    HA   GLU  29           HA       GLU  29 -12.132   1.339  -0.319
  197    HB2  GLU  29           1HB      GLU  29 -12.794   0.027  -2.851
  198    HB3  GLU  29           2HB      GLU  29 -11.323  -0.629  -2.241
  199    HG2  GLU  29           1HG      GLU  29 -13.802  -0.271  -0.531
  200    HG3  GLU  29           2HG      GLU  29 -13.569  -1.701  -1.539
  201    H    TYR  30           H        TYR  30 -10.016  -0.127  -0.247
  202    HA   TYR  30           HA       TYR  30  -7.716   0.712  -1.793
  203    HB2  TYR  30           1HB      TYR  30  -6.510   1.895  -0.101
  204    HB3  TYR  30           2HB      TYR  30  -8.031   2.714  -0.379
  205    HD1  TYR  30           1HD      TYR  30 -10.015   2.088   1.280
  206    HD2  TYR  30           2HD      TYR  30  -5.877   1.137   2.040
  207    HE1  TYR  30           1HE      TYR  30 -10.514   1.861   3.713
  208    HE2  TYR  30           2HE      TYR  30  -6.381   0.853   4.466
  209    HH   TYR  30           HH       TYR  30  -9.673   1.372   5.802
  210    H    ALA  31           H        ALA  31  -5.873  -0.431  -1.421
  211    HA   ALA  31           HA       ALA  31  -5.580  -2.276   0.850
  212    HB1  ALA  31           1HB      ALA  31  -6.814  -3.739  -0.573
  213    HB2  ALA  31           2HB      ALA  31  -5.995  -3.172  -2.035
  214    HB3  ALA  31           3HB      ALA  31  -5.126  -4.178  -0.846
  215    H    TRP  32           H        TRP  32  -3.463  -3.135   1.018
  216    HA   TRP  32           HA       TRP  32  -1.348  -1.764  -0.597
  217    HB2  TRP  32           1HB      TRP  32  -1.369  -2.521   2.342
  218    HB3  TRP  32           2HB      TRP  32   0.100  -2.198   1.442
  219    HD1  TRP  32           HD       TRP  32  -3.198  -0.275   2.110
  220    HE1  TRP  32           1HE      TRP  32  -2.673   2.221   2.306
  221    HE3  TRP  32           3HE      TRP  32   1.882  -0.451   1.304
  222    HZ2  TRP  32           2HZ      TRP  32  -0.325   3.893   2.377
  223    HZ3  TRP  32           3HZ      TRP  32   3.215   1.634   1.455
  224    HH2  TRP  32           HH       TRP  32   2.133   3.798   1.991
  225    H    TYR  33           H        TYR  33   0.394  -2.970  -1.237
  226    HA   TYR  33           HA       TYR  33   0.313  -5.926  -0.889
  227    HB2  TYR  33           1HB      TYR  33   0.445  -4.421  -3.528
  228    HB3  TYR  33           2HB      TYR  33   0.786  -6.128  -3.349
  229    HD1  TYR  33           2HD      TYR  33  -1.938  -3.576  -2.984
  230    HD2  TYR  33           1HD      TYR  33  -0.926  -7.735  -3.512
  231    HE1  TYR  33           2HE      TYR  33  -4.335  -4.116  -3.355
  232    HE2  TYR  33           1HE      TYR  33  -3.321  -8.274  -3.887
  233    HH   TYR  33           HH       TYR  33  -5.475  -7.454  -3.990
  234    H    TYR  34           H        TYR  34   2.277  -7.009  -1.444
  235    HA   TYR  34           HA       TYR  34   4.713  -5.372  -1.877
  236    HB2  TYR  34           1HB      TYR  34   5.922  -6.481  -0.137
  237    HB3  TYR  34           2HB      TYR  34   4.501  -5.719   0.549
  238    HD1  TYR  34           2HD      TYR  34   2.526  -7.131   1.269
  239    HD2  TYR  34           1HD      TYR  34   6.273  -8.859   0.023
  240    HE1  TYR  34           2HE      TYR  34   1.903  -9.267   2.373
  241    HE2  TYR  34           1HE      TYR  34   5.664 -10.995   1.134
  242    HH   TYR  34           HH       TYR  34   4.077 -12.129   2.359
  243    H    GLU  35           H        GLU  35   6.446  -6.533  -2.940
  244    HA   GLU  35           HA       GLU  35   5.462  -8.735  -4.625
  245    HB2  GLU  35           1HB      GLU  35   8.163  -7.338  -4.544
  246    HB3  GLU  35           2HB      GLU  35   7.748  -8.685  -5.613
  247    HG2  GLU  35           1HG      GLU  35   5.734  -7.228  -6.363
  248    HG3  GLU  35           2HG      GLU  35   6.625  -5.889  -5.621
  249    H    GLY  36           H        GLY  36   5.381 -10.730  -3.921
  250    HA2  GLY  36           1HA      GLY  36   7.560 -11.920  -2.234
  251    HA3  GLY  36           2HA      GLY  36   5.965 -12.626  -2.550
  252    H    ARG  37           H        ARG  37   7.338 -14.514  -3.043
  253    HA   ARG  37           HA       ARG  37   9.157 -14.718  -5.164
  254    HB2  ARG  37           1HB      ARG  37   8.701 -16.395  -3.351
  255    HB3  ARG  37           2HB      ARG  37   7.205 -16.839  -4.179
  256    HG2  ARG  37           1HG      ARG  37   8.654 -17.439  -6.217
  257    HG3  ARG  37           2HG      ARG  37  10.068 -17.179  -5.186
  258    HD2  ARG  37           1HD      ARG  37   9.238 -18.921  -3.627
  259    HD3  ARG  37           2HD      ARG  37   7.803 -19.158  -4.627
  260    HE   ARG  37           HE       ARG  37  10.490 -20.172  -5.096
  261   HH11  ARG  37          1HH2      ARG  37   7.490 -19.349  -6.820
  262   HH12  ARG  37          2HH2      ARG  37   7.836 -20.474  -8.102
  263   HH21  ARG  37          1HH1      ARG  37  10.861 -21.567  -6.797
  264   HH22  ARG  37          2HH1      ARG  37   9.716 -21.694  -8.097
  265    H    ASN  38           H        ASN  38   5.634 -15.207  -5.271
  266    HA   ASN  38           HA       ASN  38   5.731 -15.793  -8.177
  267    HB2  ASN  38           1HB      ASN  38   3.681 -16.336  -6.004
  268    HB3  ASN  38           2HB      ASN  38   3.396 -16.652  -7.712
  269   HD21  ASN  38          2HD2      ASN  38   3.046 -18.897  -7.071
  270   HD22  ASN  38          1HD2      ASN  38   4.440 -19.932  -6.824
  271    H    GLY  39           H        GLY  39   5.075 -13.021  -6.372
  272    HA2  GLY  39           1HA      GLY  39   4.561 -11.195  -8.225
  273    HA3  GLY  39           2HA      GLY  39   2.965 -11.931  -8.153
  274    H    TRP  40           H        TRP  40   2.386  -9.685  -7.542
  275    HA   TRP  40           HA       TRP  40   2.980  -8.623  -4.932
  276    HB2  TRP  40           1HB      TRP  40   0.634  -8.158  -6.811
  277    HB3  TRP  40           2HB      TRP  40   0.996  -7.198  -5.391
  278    HD1  TRP  40           HD       TRP  40   1.889  -7.592  -8.997
  279    HE1  TRP  40           1HE      TRP  40   3.579  -5.821  -9.724
  280    HE3  TRP  40           3HE      TRP  40   3.127  -5.726  -4.393
  281    HZ2  TRP  40           2HZ      TRP  40   5.173  -3.742  -8.479
  282    HZ3  TRP  40           3HZ      TRP  40   4.735  -3.852  -4.198
  283    HH2  TRP  40           HH       TRP  40   5.754  -2.838  -6.224
  284    H    TRP  41           H        TRP  41   2.169  -9.133  -2.990
  285    HA   TRP  41           HA       TRP  41  -0.408 -10.630  -2.767
  286    HB2  TRP  41           1HB      TRP  41   2.123 -11.068  -1.140
  287    HB3  TRP  41           2HB      TRP  41   0.572 -11.875  -0.886
  288    HD1  TRP  41           HD       TRP  41   3.742 -12.581  -2.395
  289    HE1  TRP  41           1HE      TRP  41   3.637 -14.278  -4.312
  290    HE3  TRP  41           3HE      TRP  41  -1.326 -12.678  -3.119
  291    HZ2  TRP  41           2HZ      TRP  41   1.636 -15.311  -6.130
  292    HZ3  TRP  41           3HZ      TRP  41  -2.299 -13.984  -4.961
  293    HH2  TRP  41           HH       TRP  41  -0.837 -15.307  -6.492
  294    H    GLN  42           H        GLN  42  -1.754 -10.101  -1.089
  295    HA   GLN  42           HA       GLN  42  -1.581  -7.288  -0.388
  296    HB2  GLN  42           1HB      GLN  42  -3.608  -8.628  -1.257
  297    HB3  GLN  42           2HB      GLN  42  -3.769  -9.238   0.394
  298    HG2  GLN  42           1HG      GLN  42  -3.914  -6.838   1.182
  299    HG3  GLN  42           2HG      GLN  42  -3.864  -6.316  -0.501
  300   HE21  GLN  42          2HE2      GLN  42  -6.036  -5.992   1.587
  301   HE22  GLN  42          1HE2      GLN  42  -7.449  -6.711   0.832
  302    H    TYR  43           H        TYR  43  -1.440  -6.339   1.612
  303    HA   TYR  43           HA       TYR  43  -0.413  -7.794   3.922
  304    HB2  TYR  43           1HB      TYR  43  -1.343  -4.962   3.375
  305    HB3  TYR  43           2HB      TYR  43  -0.954  -5.485   5.004
  306    HD1  TYR  43           2HD      TYR  43   1.342  -6.165   5.638
  307    HD2  TYR  43           1HD      TYR  43   0.428  -4.547   1.762
  308    HE1  TYR  43           2HE      TYR  43   3.741  -5.625   5.296
  309    HE2  TYR  43           1HE      TYR  43   2.820  -4.000   1.401
  310    HH   TYR  43           HH       TYR  43   4.932  -4.129   2.258
  311    H    ASP  44           H        ASP  44  -1.417  -7.801   6.039
  312    HA   ASP  44           HA       ASP  44  -4.215  -8.610   6.162
  313    HB2  ASP  44           1HB      ASP  44  -2.210  -7.783   8.300
  314    HB3  ASP  44           2HB      ASP  44  -3.830  -8.342   8.640
  315    H    GLU  45           H        GLU  45  -5.955  -7.444   7.003
  316    HA   GLU  45           HA       GLU  45  -6.037  -4.602   6.603
  317    HB2  GLU  45           1HB      GLU  45  -8.289  -4.704   7.527
  318    HB3  GLU  45           2HB      GLU  45  -8.009  -5.976   6.338
  319    HG2  GLU  45           1HG      GLU  45  -7.712  -7.638   8.135
  320    HG3  GLU  45           2HG      GLU  45  -7.941  -6.380   9.351
  321    H    ARG  46           H        ARG  46  -5.076  -6.478   9.328
  322    HA   ARG  46           HA       ARG  46  -5.208  -4.544  11.467
  323    HB2  ARG  46           1HB      ARG  46  -3.441  -6.963  10.840
  324    HB3  ARG  46           2HB      ARG  46  -3.178  -5.963  12.258
  325    HG2  ARG  46           1HG      ARG  46  -4.420  -7.866  12.899
  326    HG3  ARG  46           2HG      ARG  46  -5.383  -6.402  13.097
  327    HD2  ARG  46           1HD      ARG  46  -6.801  -8.182  12.369
  328    HD3  ARG  46           2HD      ARG  46  -6.696  -6.993  11.073
  329    HE   ARG  46           HE       ARG  46  -4.708  -8.974  10.600
  330   HH11  ARG  46          1HH1      ARG  46  -8.236  -8.973  10.844
  331   HH12  ARG  46          2HH1      ARG  46  -8.403 -10.292   9.726
  332   HH21  ARG  46          1HH2      ARG  46  -5.003 -10.637   9.077
  333   HH22  ARG  46          2HH2      ARG  46  -6.611 -11.230   8.783
  334    H    THR  47           H        THR  47  -2.883  -5.314   9.010
  335    HA   THR  47           HA       THR  47  -0.818  -3.434   9.914
  336    HB   THR  47           HB       THR  47  -0.842  -5.457   7.638
  337    HG1  THR  47           1HG      THR  47   0.299  -6.682   9.239
  338   HG21  THR  47          3HG2      THR  47   1.649  -5.350   7.963
  339   HG22  THR  47          1HG2      THR  47   0.956  -3.849   7.314
  340   HG23  THR  47          2HG2      THR  47   1.404  -3.941   9.029
  341    H    SER  48           H        SER  48  -2.711  -3.889   6.859
  342    HA   SER  48           HA       SER  48  -1.366  -1.832   5.431
  343    HB2  SER  48           1HB      SER  48  -3.217  -1.949   3.865
  344    HB3  SER  48           2HB      SER  48  -2.707  -3.570   4.362
  345    HG   SER  48           HG       SER  48  -5.009  -3.342   4.375
  346    H    ARG  49           H        ARG  49  -4.105  -1.599   7.653
  347    HA   ARG  49           HA       ARG  49  -4.835   1.082   7.071
  348    HB2  ARG  49           1HB      ARG  49  -6.066   1.051   9.087
  349    HB3  ARG  49           2HB      ARG  49  -6.162  -0.541   8.372
  350    HG2  ARG  49           1HG      ARG  49  -5.824  -1.094  10.581
  351    HG3  ARG  49           2HG      ARG  49  -4.196  -1.188   9.945
  352    HD2  ARG  49           1HD      ARG  49  -4.309  -0.108  12.193
  353    HD3  ARG  49           2HD      ARG  49  -3.608   0.917  10.980
  354    HE   ARG  49           HE       ARG  49  -6.503   1.233  11.547
  355   HH11  ARG  49          1HH1      ARG  49  -3.269   2.615  12.098
  356   HH12  ARG  49          2HH1      ARG  49  -3.894   4.255  11.892
  357   HH21  ARG  49          1HH2      ARG  49  -7.174   3.425  11.467
  358   HH22  ARG  49          2HH2      ARG  49  -5.950   4.673  11.598
  359    H    GLU  50           H        GLU  50  -2.024  -0.149   8.799
  360    HA   GLU  50           HA       GLU  50  -1.474   2.373  10.201
  361    HB2  GLU  50           1HB      GLU  50   0.382   0.028   9.597
  362    HB3  GLU  50           2HB      GLU  50   0.718   1.340  10.708
  363    HG2  GLU  50           1HG      GLU  50  -1.627  -0.573  11.104
  364    HG3  GLU  50           2HG      GLU  50  -0.009  -0.887  11.704
  365    H    LEU  51           H        LEU  51  -0.416   0.720   7.256
  366    HA   LEU  51           HA       LEU  51   1.510   2.636   6.331
  367    HB2  LEU  51           1HB      LEU  51  -0.172   0.722   4.670
  368    HB3  LEU  51           2HB      LEU  51   1.427   1.358   4.302
  369    HG   LEU  51           HG       LEU  51   0.776  -0.643   6.508
  370   HD11  LEU  51          1HD1      LEU  51   0.534  -1.552   4.232
  371   HD12  LEU  51          2HD1      LEU  51   2.206  -1.068   3.866
  372   HD13  LEU  51          3HD1      LEU  51   1.877  -2.285   5.122
  373   HD21  LEU  51          3HD2      LEU  51   3.245  -0.891   6.671
  374   HD22  LEU  51          1HD2      LEU  51   3.436   0.485   5.560
  375   HD23  LEU  51          2HD2      LEU  51   2.691   0.710   7.161
  376    H    GLU  52           H        GLU  52  -1.938   2.113   5.577
  377    HA   GLU  52           HA       GLU  52  -2.328   4.304   3.842
  378    HB2  GLU  52           1HB      GLU  52  -3.859   2.305   4.300
  379    HB3  GLU  52           2HB      GLU  52  -4.334   3.109   5.789
  380    HG2  GLU  52           1HG      GLU  52  -6.029   3.580   4.228
  381    HG3  GLU  52           2HG      GLU  52  -5.137   5.071   4.388
  382    H    ASP  53           H        ASP  53  -2.172   4.276   7.412
  383    HA   ASP  53           HA       ASP  53  -3.359   6.957   7.662
  384    HB2  ASP  53           1HB      ASP  53  -2.396   4.811   9.525
  385    HB3  ASP  53           2HB      ASP  53  -2.172   6.450  10.069
  386    H    ALA  54           H        ALA  54  -0.145   5.562   7.370
  387    HA   ALA  54           HA       ALA  54   1.308   7.698   8.550
  388    HB1  ALA  54           1HB      ALA  54   2.209   5.520   8.342
  389    HB2  ALA  54           2HB      ALA  54   2.030   5.513   6.581
  390    HB3  ALA  54           3HB      ALA  54   3.232   6.591   7.339
  391    H    PHE  55           H        PHE  55   0.607   7.194   5.032
  392    HA   PHE  55           HA       PHE  55   1.897   9.693   4.316
  393    HB2  PHE  55           1HB      PHE  55   1.362   9.248   2.152
  394    HB3  PHE  55           2HB      PHE  55   1.415   7.629   2.802
  395    HD1  PHE  55           2HD      PHE  55  -0.687   6.328   3.154
  396    HD2  PHE  55           1HD      PHE  55  -0.699  10.241   1.350
  397    HE1  PHE  55           2HE      PHE  55  -2.932   5.891   2.200
  398    HE2  PHE  55           1HE      PHE  55  -2.960   9.804   0.411
  399    HZ   PHE  55           HZ       PHE  55  -4.076   7.616   0.829
  400    H    SER  56           H        SER  56  -1.139   8.906   5.639
  401    HA   SER  56           HA       SER  56  -2.521  11.410   4.917
  402    HB2  SER  56           1HB      SER  56  -3.587   9.110   5.295
  403    HB3  SER  56           2HB      SER  56  -3.334   9.385   7.019
  404    HG   SER  56           HG       SER  56  -5.427  10.083   6.293
  405    H    LYS  57           H        LYS  57  -0.683  10.144   7.704
  406    HA   LYS  57           HA       LYS  57  -1.127  12.415   9.470
  407    HB2  LYS  57           1HB      LYS  57   0.895  10.156   9.312
  408    HB3  LYS  57           2HB      LYS  57   0.995  11.413  10.545
  409    HG2  LYS  57           1HG      LYS  57  -0.933  10.723  11.659
  410    HG3  LYS  57           2HG      LYS  57  -1.605   9.904  10.247
  411    HD2  LYS  57           1HD      LYS  57  -0.806   8.260  11.914
  412    HD3  LYS  57           2HD      LYS  57   0.027   8.138  10.377
  413    HE2  LYS  57           1HE      LYS  57   1.827   7.956  11.780
  414    HE3  LYS  57           2HE      LYS  57   1.857   9.679  11.465
  415    HZ1  LYS  57           3HZ      LYS  57   2.056   9.252  13.841
  416    HZ2  LYS  57           1HZ      LYS  57   0.649  10.034  13.564
  417    HZ3  LYS  57           2HZ      LYS  57   0.647   8.428  13.873
  418    H    GLY  58           H        GLY  58   1.466  11.486   7.186
  419    HA2  GLY  58           1HA      GLY  58   2.369  13.367   5.807
  420    HA3  GLY  58           2HA      GLY  58   2.615  14.264   7.321
  421    H    LYS  59           H        LYS  59   3.360  11.110   8.156
  422    HA   LYS  59           HA       LYS  59   6.192  11.623   8.012
  423    HB2  LYS  59           1HB      LYS  59   6.383   9.233   8.822
  424    HB3  LYS  59           2HB      LYS  59   5.546  10.361   9.885
  425    HG2  LYS  59           1HG      LYS  59   3.427   9.458   9.450
  426    HG3  LYS  59           2HG      LYS  59   3.987   8.644   7.986
  427    HD2  LYS  59           1HD      LYS  59   3.545   7.103   9.862
  428    HD3  LYS  59           2HD      LYS  59   5.160   6.986   9.219
  429    HE2  LYS  59           1HE      LYS  59   4.573   8.598  11.736
  430    HE3  LYS  59           2HE      LYS  59   4.772   6.845  11.774
  431    HZ1  LYS  59           3HZ      LYS  59   6.876   7.763  12.226
  432    HZ2  LYS  59           1HZ      LYS  59   6.989   7.197  10.690
  433    HZ3  LYS  59           2HZ      LYS  59   6.837   8.802  10.974
  434    H    LYS  60           H        LYS  60   7.765  10.391   7.018
  435    HA   LYS  60           HA       LYS  60   7.113   9.712   4.197
  436    HB2  LYS  60           1HB      LYS  60   9.294  10.374   3.675
  437    HB3  LYS  60           2HB      LYS  60   8.717  11.541   4.846
  438    HG2  LYS  60           1HG      LYS  60  10.055  10.329   6.604
  439    HG3  LYS  60           2HG      LYS  60  10.640   9.233   5.343
  440    HD2  LYS  60           1HD      LYS  60  12.330  10.879   5.752
  441    HD3  LYS  60           2HD      LYS  60  11.655  11.148   4.139
  442    HE2  LYS  60           1HE      LYS  60  10.251  12.999   5.035
  443    HE3  LYS  60           2HE      LYS  60  10.880  12.698   6.661
  444    HZ1  LYS  60           3HZ      LYS  60  12.054  14.517   5.576
  445    HZ2  LYS  60           1HZ      LYS  60  13.094  13.287   5.838
  446    HZ3  LYS  60           2HZ      LYS  60  12.511  13.562   4.334
  447    H    ASN  61           H        ASN  61   7.558   8.036   7.009
  448    HA   ASN  61           HA       ASN  61   7.684   5.496   5.766
  449    HB2  ASN  61           1HB      ASN  61   9.743   4.588   6.617
  450    HB3  ASN  61           2HB      ASN  61  10.120   5.968   5.596
  451   HD21  ASN  61          2HD2      ASN  61  10.401   8.059   6.768
  452   HD22  ASN  61          1HD2      ASN  61  11.252   8.049   8.302
  453    H    THR  62           H        THR  62   6.973   3.944   7.110
  454    HA   THR  62           HA       THR  62   6.568   4.541  10.028
  455    HB   THR  62           HB       THR  62   4.525   5.019   8.660
  456    HG1  THR  62           1HG      THR  62   3.248   3.959  10.243
  457   HG21  THR  62          3HG2      THR  62   3.102   3.126   8.013
  458   HG22  THR  62          1HG2      THR  62   4.614   3.082   7.092
  459   HG23  THR  62          2HG2      THR  62   4.371   1.968   8.456
  460    H    GLU  63           H        GLU  63   5.587   2.379  11.042
  461    HA   GLU  63           HA       GLU  63   7.479   0.160  10.395
  462    HB2  GLU  63           1HB      GLU  63   6.925   1.565  13.041
  463    HB3  GLU  63           2HB      GLU  63   7.657  -0.039  12.935
  464    HG2  GLU  63           1HG      GLU  63   9.460   0.828  11.533
  465    HG3  GLU  63           2HG      GLU  63   8.784   2.454  11.599
  466    H    MET  64           H        MET  64   6.829  -1.862  10.830
  467    HA   MET  64           HA       MET  64   4.143  -2.432  11.938
  468    HB2  MET  64           1HB      MET  64   3.600  -3.765   9.869
  469    HB3  MET  64           2HB      MET  64   3.563  -2.014   9.668
  470    HG2  MET  64           1HG      MET  64   5.736  -2.030   8.571
  471    HG3  MET  64           2HG      MET  64   5.961  -3.739   8.943
  472    HE1  MET  64           3HE      MET  64   5.886  -3.709   5.143
  473    HE2  MET  64           1HE      MET  64   6.827  -3.103   6.516
  474    HE3  MET  64           2HE      MET  64   6.343  -4.820   6.443
  475    H    LEU  65           H        LEU  65   3.797  -4.492  12.559
  476    HA   LEU  65           HA       LEU  65   6.156  -6.272  12.811
  477    HB2  LEU  65           1HB      LEU  65   4.404  -5.278  14.749
  478    HB3  LEU  65           2HB      LEU  65   3.686  -6.827  14.392
  479    HG   LEU  65           HG       LEU  65   5.133  -6.979  16.284
  480   HD11  LEU  65          1HD1      LEU  65   5.095  -8.968  14.841
  481   HD12  LEU  65          2HD1      LEU  65   6.573  -8.394  14.031
  482   HD13  LEU  65          3HD1      LEU  65   6.607  -8.803  15.749
  483   HD21  LEU  65          3HD2      LEU  65   7.498  -6.452  16.267
  484   HD22  LEU  65          1HD2      LEU  65   7.445  -6.069  14.535
  485   HD23  LEU  65          2HD2      LEU  65   6.569  -5.047  15.694
  486    H    ILE  66           H        ILE  66   6.072  -8.304  12.174
  487    HA   ILE  66           HA       ILE  66   3.673  -9.300  10.638
  488    HB   ILE  66           HB       ILE  66   5.060 -10.241   8.981
  489   HG12  ILE  66          1HG1      ILE  66   7.616  -8.955   9.548
  490   HG13  ILE  66          2HG1      ILE  66   7.197  -9.989  10.888
  491   HG21  ILE  66          1HG2      ILE  66   4.273  -7.889   8.775
  492   HG22  ILE  66          2HG2      ILE  66   5.861  -7.329   9.334
  493   HG23  ILE  66          3HG2      ILE  66   5.715  -8.265   7.831
  494   HD11  ILE  66          3HD1      ILE  66   8.527 -11.066   8.990
  495   HD12  ILE  66          1HD1      ILE  66   7.114 -11.953   9.558
  496   HD13  ILE  66          2HD1      ILE  66   7.029 -11.033   8.050
  497    H    ALA  67           H        ALA  67   5.010 -11.859  10.058
  498    HA   ALA  67           HA       ALA  67   4.056 -13.449  12.155
  499    HB1  ALA  67           1HB      ALA  67   4.434 -14.133   9.778
  500    HB2  ALA  67           2HB      ALA  67   6.195 -14.053  10.051
  501    HB3  ALA  67           3HB      ALA  67   5.213 -15.252  10.914
  502    H    GLY  68           H        GLY  68   7.127 -11.811  12.067
  503    HA2  GLY  68           1HA      GLY  68   7.835 -12.581  14.727
  504    HA3  GLY  68           2HA      GLY  68   8.748 -13.565  13.601
  505    H    PHE  69           H        PHE  69   8.050 -10.251  12.620
  506    HA   PHE  69           HA       PHE  69  10.748  -9.287  13.333
  507    HB2  PHE  69           1HB      PHE  69   9.843  -9.746  10.457
  508    HB3  PHE  69           2HB      PHE  69  11.252  -8.827  10.919
  509    HD1  PHE  69           2HD      PHE  69  13.177  -9.963  12.115
  510    HD2  PHE  69           1HD      PHE  69   9.960 -12.177  10.273
  511    HE1  PHE  69           2HE      PHE  69  14.626 -11.977  11.990
  512    HE2  PHE  69           1HE      PHE  69  11.412 -14.178  10.150
  513    HZ   PHE  69           HZ       PHE  69  13.748 -14.084  11.001
  514    H    LEU  70           H        LEU  70  11.074  -7.088  12.988
  515    HA   LEU  70           HA       LEU  70   8.664  -5.399  12.520
  516    HB2  LEU  70           1HB      LEU  70  10.217  -5.121  14.575
  517    HB3  LEU  70           2HB      LEU  70  11.428  -4.563  13.433
  518    HG   LEU  70           HG       LEU  70  10.486  -2.688  14.511
  519   HD11  LEU  70          1HD1      LEU  70  10.840  -2.476  11.980
  520   HD12  LEU  70          2HD1      LEU  70   9.063  -2.554  11.852
  521   HD13  LEU  70          3HD1      LEU  70   9.826  -1.262  12.771
  522   HD21  LEU  70          3HD2      LEU  70   8.086  -2.079  14.412
  523   HD22  LEU  70          1HD2      LEU  70   7.727  -3.659  13.685
  524   HD23  LEU  70          2HD2      LEU  70   8.398  -3.564  15.329
  525    H    TYR  71           H        TYR  71   8.412  -4.571  10.611
  526    HA   TYR  71           HA       TYR  71  10.739  -4.126   8.774
  527    HB2  TYR  71           1HB      TYR  71   7.879  -4.796   8.094
  528    HB3  TYR  71           2HB      TYR  71   9.076  -4.281   6.910
  529    HD1  TYR  71           1HD      TYR  71  11.494  -5.903   7.916
  530    HD2  TYR  71           2HD      TYR  71   7.359  -6.950   7.236
  531    HE1  TYR  71           1HE      TYR  71  12.118  -8.288   7.670
  532    HE2  TYR  71           2HE      TYR  71   7.983  -9.311   7.055
  533    HH   TYR  71           HH       TYR  71   9.746 -10.873   7.065
  534    H    VAL  72           H        VAL  72  11.150  -2.187   8.143
  535    HA   VAL  72           HA       VAL  72   9.441   0.107   8.912
  536    HB   VAL  72           HB       VAL  72  12.147   0.108   7.542
  537   HG11  VAL  72          1HG1      VAL  72  10.850   2.198   7.209
  538   HG12  VAL  72          2HG1      VAL  72  10.605   2.328   8.965
  539   HG13  VAL  72          3HG1      VAL  72  12.232   2.479   8.274
  540   HG21  VAL  72          3HG2      VAL  72  13.100   0.740   9.740
  541   HG22  VAL  72          1HG2      VAL  72  11.529   0.413  10.501
  542   HG23  VAL  72          2HG2      VAL  72  12.449  -0.901   9.732
  543    H    ALA  73           H        ALA  73   7.986   0.795   7.457
  544    HA   ALA  73           HA       ALA  73   8.176   0.022   4.576
  545    HB1  ALA  73           1HB      ALA  73   6.107  -0.634   5.727
  546    HB2  ALA  73           2HB      ALA  73   5.848   1.040   6.260
  547    HB3  ALA  73           3HB      ALA  73   5.780   0.638   4.532
  548    H    ASP  74           H        ASP  74   9.272   1.480   3.448
  549    HA   ASP  74           HA       ASP  74   9.299   4.357   4.122
  550    HB2  ASP  74           1HB      ASP  74  11.399   3.218   3.531
  551    HB3  ASP  74           2HB      ASP  74  10.722   2.761   1.972
  552    H    LEU  75           H        LEU  75   7.865   5.684   3.315
  553    HA   LEU  75           HA       LEU  75   5.965   4.825   1.238
  554    HB2  LEU  75           1HB      LEU  75   6.158   7.127   3.216
  555    HB3  LEU  75           2HB      LEU  75   5.021   7.171   1.890
  556    HG   LEU  75           HG       LEU  75   3.834   5.253   2.672
  557   HD11  LEU  75          1HD1      LEU  75   5.528   3.835   3.686
  558   HD12  LEU  75          2HD1      LEU  75   5.727   5.015   5.010
  559   HD13  LEU  75          3HD1      LEU  75   4.195   4.148   4.801
  560   HD21  LEU  75          3HD2      LEU  75   2.802   6.265   4.563
  561   HD22  LEU  75          1HD2      LEU  75   4.318   7.044   5.081
  562   HD23  LEU  75          2HD2      LEU  75   3.478   7.609   3.635
  563    H    GLU  76           H        GLU  76   8.835   6.766   1.359
  564    HA   GLU  76           HA       GLU  76   8.197   8.608  -0.778
  565    HB2  GLU  76           1HB      GLU  76  10.848   7.705   0.426
  566    HB3  GLU  76           2HB      GLU  76  10.685   8.993  -0.757
  567    HG2  GLU  76           1HG      GLU  76   9.335   8.968   1.972
  568    HG3  GLU  76           2HG      GLU  76  10.870   9.752   1.648
  569    H    ASN  77           H        ASN  77  10.193   5.645  -0.639
  570    HA   ASN  77           HA       ASN  77  10.372   5.517  -3.604
  571    HB2  ASN  77           1HB      ASN  77  11.710   3.852  -1.431
  572    HB3  ASN  77           2HB      ASN  77  12.078   3.809  -3.152
  573   HD21  ASN  77          2HD2      ASN  77  12.358   5.733  -0.175
  574   HD22  ASN  77          1HD2      ASN  77  13.626   6.792  -0.796
  575    H    MET  78           H        MET  78   8.384   4.377  -1.160
  576    HA   MET  78           HA       MET  78   6.906   2.673  -0.812
  577    HB2  MET  78           1HB      MET  78   6.867   2.448  -3.826
  578    HB3  MET  78           2HB      MET  78   5.695   1.753  -2.702
  579    HG2  MET  78           1HG      MET  78   5.979   4.631  -2.248
  580    HG3  MET  78           2HG      MET  78   5.676   4.285  -3.943
  581    HE1  MET  78           3HE      MET  78   2.843   3.429  -0.434
  582    HE2  MET  78           1HE      MET  78   4.431   2.638  -0.546
  583    HE3  MET  78           2HE      MET  78   4.323   4.408  -0.378
  584    H    VAL  79           H        VAL  79   8.808   1.686   0.202
  585    HA   VAL  79           HA       VAL  79   9.160  -1.085  -0.785
  586    HB   VAL  79           HB       VAL  79  11.609  -1.104  -0.284
  587   HG11  VAL  79          1HG1      VAL  79  10.890  -0.995  -2.610
  588   HG12  VAL  79          2HG1      VAL  79  10.906   0.787  -2.547
  589   HG13  VAL  79          3HG1      VAL  79  12.410  -0.132  -2.343
  590   HG21  VAL  79          3HG2      VAL  79  12.867   1.022  -0.250
  591   HG22  VAL  79          1HG2      VAL  79  11.350   1.922  -0.163
  592   HG23  VAL  79          2HG2      VAL  79  11.828   0.823   1.158
  593    H    GLN  80           H        GLN  80  10.241  -2.479   0.892
  594    HA   GLN  80           HA       GLN  80   9.926  -1.492   3.680
  595    HB2  GLN  80           1HB      GLN  80   9.114  -3.683   4.370
  596    HB3  GLN  80           2HB      GLN  80   8.021  -2.983   3.171
  597    HG2  GLN  80           1HG      GLN  80   8.904  -4.409   1.416
  598    HG3  GLN  80           2HG      GLN  80  10.227  -4.961   2.452
  599   HE21  GLN  80          2HE2      GLN  80   9.487  -6.149   4.564
  600   HE22  GLN  80          1HE2      GLN  80   8.282  -7.373   4.195
  601    H    TYR  81           H        TYR  81  11.382  -2.333   5.202
  602    HA   TYR  81           HA       TYR  81  13.385  -4.333   4.568
  603    HB2  TYR  81           1HB      TYR  81  15.328  -2.749   4.990
  604    HB3  TYR  81           2HB      TYR  81  14.549  -2.661   3.432
  605    HD1  TYR  81           1HD      TYR  81  14.590  -0.948   6.792
  606    HD2  TYR  81           2HD      TYR  81  13.787  -0.613   2.564
  607    HE1  TYR  81           1HE      TYR  81  14.358   1.502   7.038
  608    HE2  TYR  81           2HE      TYR  81  13.526   1.847   2.812
  609    HH   TYR  81           HH       TYR  81  13.938   3.502   5.976
  610    H    ARG  82           H        ARG  82  14.824  -4.799   6.434
  611    HA   ARG  82           HA       ARG  82  13.491  -4.497   9.036
  612    HB2  ARG  82           1HB      ARG  82  16.137  -5.751   8.179
  613    HB3  ARG  82           2HB      ARG  82  15.588  -5.671   9.860
  614    HG2  ARG  82           1HG      ARG  82  13.515  -6.906   9.244
  615    HG3  ARG  82           2HG      ARG  82  14.136  -7.087   7.589
  616    HD2  ARG  82           1HD      ARG  82  16.073  -8.363   8.438
  617    HD3  ARG  82           2HD      ARG  82  15.553  -8.076  10.099
  618    HE   ARG  82           HE       ARG  82  13.951  -9.714   9.943
  619   HH11  ARG  82          1HH1      ARG  82  15.156  -9.250   6.604
  620   HH12  ARG  82          2HH1      ARG  82  14.381 -10.763   6.123
  621   HH21  ARG  82          1HH2      ARG  82  13.040 -11.618   9.082
  622   HH22  ARG  82          2HH2      ARG  82  13.318 -11.947   7.367
  623    H    ARG  83           H        ARG  83  14.255  -3.316  10.824
  624    HA   ARG  83           HA       ARG  83  15.097  -0.703  10.433
  625    HB2  ARG  83           1HB      ARG  83  15.277  -2.503  12.874
  626    HB3  ARG  83           2HB      ARG  83  15.764  -0.806  12.925
  627    HG2  ARG  83           1HG      ARG  83  13.548  -0.049  12.296
  628    HG3  ARG  83           2HG      ARG  83  13.003  -1.713  12.043
  629    HD2  ARG  83           1HD      ARG  83  12.208  -0.818  14.213
  630    HD3  ARG  83           2HD      ARG  83  13.223  -2.239  14.394
  631    HE   ARG  83           HE       ARG  83  14.881  -0.995  15.428
  632   HH11  ARG  83          1HH1      ARG  83  12.326   1.278  14.409
  633   HH12  ARG  83          2HH1      ARG  83  13.107   2.602  15.225
  634   HH21  ARG  83          1HH2      ARG  83  15.763   0.757  16.476
  635   HH22  ARG  83          2HH2      ARG  83  14.984   2.307  16.401
  636    H    ASN  84           H        ASN  84  17.281  -3.453  11.001
  637    HA   ASN  84           HA       ASN  84  19.632  -1.751  11.328
  638    HB2  ASN  84           1HB      ASN  84  19.215  -3.865  12.578
  639    HB3  ASN  84           2HB      ASN  84  19.357  -4.772  11.071
  640   HD21  ASN  84          2HD2      ASN  84  21.196  -2.461  13.179
  641   HD22  ASN  84          1HD2      ASN  84  22.758  -3.170  12.814
  642    H    GLU  85           H        GLU  85  17.987  -2.755   8.527
  643    HA   GLU  85           HA       GLU  85  20.444  -3.096   6.881
  644    HB2  GLU  85           1HB      GLU  85  18.829  -4.928   6.849
  645    HB3  GLU  85           2HB      GLU  85  17.535  -3.825   6.388
  646    HG2  GLU  85           1HG      GLU  85  18.344  -5.104   4.480
  647    HG3  GLU  85           2HG      GLU  85  18.591  -3.374   4.249
  648    H    HIS  86           H        HIS  86  21.116  -1.437   5.692
  649    HA   HIS  86           HA       HIS  86  19.380   0.915   5.201
  650    HB2  HIS  86           1HB      HIS  86  21.492   1.326   6.244
  651    HB3  HIS  86           2HB      HIS  86  22.355   0.332   5.071
  652    HD2  HIS  86           2HD      HIS  86  23.061   1.368   2.805
  653    HE1  HIS  86           1HE      HIS  86  21.588   5.319   3.421
  654    HE2  HIS  86           2HE      HIS  86  23.017   3.851   1.903
  655    H    GLY  87           H        GLY  87  20.958  -1.699   3.392
  656    HA2  GLY  87           1HA      GLY  87  20.580  -0.340   0.762
  657    HA3  GLY  87           2HA      GLY  87  21.548  -1.789   1.109
  658    H    ARG  88           H        ARG  88  20.154  -3.677   2.005
  659    HA   ARG  88           HA       ARG  88  18.613  -4.458  -0.282
  660    HB2  ARG  88           1HB      ARG  88  20.114  -5.914   1.051
  661    HB3  ARG  88           2HB      ARG  88  18.942  -5.946   2.361
  662    HG2  ARG  88           1HG      ARG  88  18.156  -6.785  -0.457
  663    HG3  ARG  88           2HG      ARG  88  19.073  -7.875   0.581
  664    HD2  ARG  88           1HD      ARG  88  17.324  -7.810   2.294
  665    HD3  ARG  88           2HD      ARG  88  16.337  -6.737   1.288
  666    HE   ARG  88           HE       ARG  88  16.691  -8.724  -0.448
  667   HH11  ARG  88          1HH1      ARG  88  15.785  -9.080   3.000
  668   HH12  ARG  88          2HH1      ARG  88  15.113 -10.678   2.653
  669   HH21  ARG  88          1HH2      ARG  88  15.697 -10.778  -0.654
  670   HH22  ARG  88          2HH2      ARG  88  15.073 -11.532   0.806
  671    H    ARG  89           H        ARG  89  16.520  -4.429  -0.695
  672    HA   ARG  89           HA       ARG  89  14.441  -4.028   1.348
  673    HB2  ARG  89           1HB      ARG  89  13.725  -1.868   0.489
  674    HB3  ARG  89           2HB      ARG  89  15.374  -1.796   1.085
  675    HG2  ARG  89           1HG      ARG  89  16.050  -2.176  -1.438
  676    HG3  ARG  89           2HG      ARG  89  14.378  -1.692  -1.767
  677    HD2  ARG  89           1HD      ARG  89  14.822   0.426  -0.482
  678    HD3  ARG  89           2HD      ARG  89  16.480  -0.069  -0.260
  679    HE   ARG  89           HE       ARG  89  15.216   0.951  -2.702
  680   HH11  ARG  89          1HH1      ARG  89  18.104  -0.741  -1.500
  681   HH12  ARG  89          2HH1      ARG  89  19.024  -0.315  -2.914
  682   HH21  ARG  89          1HH2      ARG  89  16.476   1.447  -4.474
  683   HH22  ARG  89          2HH2      ARG  89  18.121   0.899  -4.562
  684    H    ARG  90           H        ARG  90  12.349  -4.235   0.598
  685    HA   ARG  90           HA       ARG  90  12.011  -5.662  -2.029
  686    HB2  ARG  90           1HB      ARG  90  11.934  -7.170  -0.148
  687    HB3  ARG  90           2HB      ARG  90  10.791  -6.151   0.708
  688    HG2  ARG  90           1HG      ARG  90   9.069  -6.606  -1.042
  689    HG3  ARG  90           2HG      ARG  90  10.215  -7.682  -1.860
  690    HD2  ARG  90           1HD      ARG  90   9.174  -8.002   0.996
  691    HD3  ARG  90           2HD      ARG  90   8.562  -8.872  -0.394
  692    HE   ARG  90           HE       ARG  90  10.729  -9.981  -0.650
  693   HH11  ARG  90          1HH1      ARG  90  10.146  -8.590   2.603
  694   HH12  ARG  90          2HH1      ARG  90  11.445  -9.600   3.249
  695   HH21  ARG  90          1HH2      ARG  90  12.264 -11.274   0.454
  696   HH22  ARG  90          2HH2      ARG  90  12.486 -10.951   2.177
  697    H    LYS  91           H        LYS  91  10.303  -5.075  -3.313
  698    HA   LYS  91           HA       LYS  91   9.270  -2.416  -3.011
  699    HB2  LYS  91           1HB      LYS  91   9.141  -4.667  -4.970
  700    HB3  LYS  91           2HB      LYS  91   7.795  -3.568  -5.053
  701    HG2  LYS  91           1HG      LYS  91  10.730  -2.795  -5.311
  702    HG3  LYS  91           2HG      LYS  91   9.590  -3.004  -6.640
  703    HD2  LYS  91           1HD      LYS  91   9.526  -0.842  -4.510
  704    HD3  LYS  91           2HD      LYS  91   9.874  -0.648  -6.224
  705    HE2  LYS  91           1HE      LYS  91   7.583  -1.173  -6.834
  706    HE3  LYS  91           2HE      LYS  91   7.195  -1.638  -5.167
  707    HZ1  LYS  91           3HZ      LYS  91   6.418   0.556  -5.547
  708    HZ2  LYS  91           1HZ      LYS  91   7.644   0.614  -4.469
  709    HZ3  LYS  91           2HZ      LYS  91   7.902   1.097  -6.025
  710    H    ILE  92           H        ILE  92   7.354  -1.555  -2.473
  711    HA   ILE  92           HA       ILE  92   5.007  -3.331  -2.027
  712    HB   ILE  92           HB       ILE  92   4.256  -2.188  -0.113
  713   HG12  ILE  92          1HG1      ILE  92   6.555  -0.287  -0.482
  714   HG13  ILE  92          2HG1      ILE  92   4.839   0.067  -0.686
  715   HG21  ILE  92          1HG2      ILE  92   5.999  -3.939   0.253
  716   HG22  ILE  92          2HG2      ILE  92   7.220  -2.654   0.381
  717   HG23  ILE  92          3HG2      ILE  92   5.887  -2.735   1.547
  718   HD11  ILE  92          3HD1      ILE  92   5.582   1.028   1.377
  719   HD12  ILE  92          1HD1      ILE  92   4.539  -0.361   1.779
  720   HD13  ILE  92          2HD1      ILE  92   6.312  -0.490   1.914
  721    H    LYS  93           H        LYS  93   2.936  -2.074  -2.085
  722    HA   LYS  93           HA       LYS  93   2.930   0.490  -3.475
  723    HB2  LYS  93           1HB      LYS  93   1.777  -0.177  -5.470
  724    HB3  LYS  93           2HB      LYS  93   3.249  -1.135  -5.373
  725    HG2  LYS  93           1HG      LYS  93   2.005  -3.095  -4.642
  726    HG3  LYS  93           2HG      LYS  93   0.517  -2.163  -4.458
  727    HD2  LYS  93           1HD      LYS  93   0.430  -1.706  -6.854
  728    HD3  LYS  93           2HD      LYS  93   1.911  -2.661  -7.110
  729    HE2  LYS  93           1HE      LYS  93   0.841  -4.690  -6.394
  730    HE3  LYS  93           2HE      LYS  93  -0.538  -3.817  -5.710
  731    HZ1  LYS  93           3HZ      LYS  93  -1.010  -4.862  -7.885
  732    HZ2  LYS  93           1HZ      LYS  93  -1.302  -3.260  -7.869
  733    HZ3  LYS  93           2HZ      LYS  93   0.050  -3.848  -8.612
  734    H    ARG  94           H        ARG  94   0.748   1.307  -3.895
  735    HA   ARG  94           HA       ARG  94  -1.380   0.266  -2.059
  736    HB2  ARG  94           1HB      ARG  94  -0.984   3.002  -3.349
  737    HB3  ARG  94           2HB      ARG  94  -2.501   2.466  -2.611
  738    HG2  ARG  94           1HG      ARG  94  -1.317   2.060  -0.472
  739    HG3  ARG  94           2HG      ARG  94   0.173   2.699  -1.181
  740    HD2  ARG  94           1HD      ARG  94  -0.794   4.464   0.100
  741    HD3  ARG  94           2HD      ARG  94  -1.027   4.886  -1.585
  742    HE   ARG  94           HE       ARG  94  -3.098   3.976   0.388
  743   HH11  ARG  94          1HH1      ARG  94  -2.534   5.214  -2.900
  744   HH12  ARG  94          2HH1      ARG  94  -4.210   5.620  -3.103
  745   HH21  ARG  94          1HH2      ARG  94  -5.147   4.650   0.109
  746   HH22  ARG  94          2HH2      ARG  94  -5.688   5.259  -1.439
  747    H    ASP  95           H        ASP  95  -3.416  -0.134  -2.931
  748    HA   ASP  95           HA       ASP  95  -3.985   0.272  -5.775
  749    HB2  ASP  95           1HB      ASP  95  -2.887  -2.205  -5.067
  750    HB3  ASP  95           2HB      ASP  95  -4.634  -2.493  -4.994
  751    H    ILE  96           H        ILE  96  -6.260  -0.971  -6.143
  752    HA   ILE  96           HA       ILE  96  -8.134  -0.073  -3.982
  753    HB   ILE  96           HB       ILE  96  -8.344   0.556  -6.946
  754   HG12  ILE  96          1HG1      ILE  96  -6.583   1.933  -5.873
  755   HG13  ILE  96          2HG1      ILE  96  -7.943   2.874  -6.441
  756   HG21  ILE  96          1HG2      ILE  96 -10.570   0.337  -6.021
  757   HG22  ILE  96          2HG2      ILE  96 -10.127   1.236  -4.550
  758   HG23  ILE  96          3HG2      ILE  96 -10.258   2.068  -6.107
  759   HD11  ILE  96          3HD1      ILE  96  -7.004   3.469  -4.123
  760   HD12  ILE  96          1HD1      ILE  96  -8.764   3.256  -4.251
  761   HD13  ILE  96          2HD1      ILE  96  -7.777   1.963  -3.560
  762    H    ILE  97           H        ILE  97  -9.875  -1.266  -3.763
  763    HA   ILE  97           HA       ILE  97 -10.111  -3.834  -5.248
  764    HB   ILE  97           HB       ILE  97 -11.649  -2.824  -2.853
  765   HG12  ILE  97          1HG1      ILE  97 -10.358  -4.910  -1.856
  766   HG13  ILE  97          2HG1      ILE  97  -9.209  -4.578  -3.157
  767   HG21  ILE  97          1HG2      ILE  97 -13.053  -4.302  -4.097
  768   HG22  ILE  97          2HG2      ILE  97 -11.747  -5.507  -4.251
  769   HG23  ILE  97          3HG2      ILE  97 -12.479  -5.149  -2.664
  770   HD11  ILE  97          3HD1      ILE  97  -8.938  -3.514  -0.763
  771   HD12  ILE  97          1HD1      ILE  97  -8.554  -2.541  -2.202
  772   HD13  ILE  97          2HD1      ILE  97 -10.094  -2.321  -1.340
  773    H    ASP  98           H        ASP  98 -11.715  -4.404  -6.546
  774    HA   ASP  98           HA       ASP  98 -13.437  -2.266  -7.613
  775    HB2  ASP  98           1HB      ASP  98 -11.819  -3.438  -9.080
  776    HB3  ASP  98           2HB      ASP  98 -12.629  -4.967  -8.751
  777    H    ILE  99           H        ILE  99 -13.792  -5.054  -5.760
  778    HA   ILE  99           HA       ILE  99 -15.479  -5.987  -4.626
  779    HB   ILE  99           HB       ILE  99 -17.393  -4.061  -5.938
  780   HG12  ILE  99          1HG1      ILE  99 -15.619  -2.851  -4.683
  781   HG13  ILE  99          2HG1      ILE  99 -17.217  -2.656  -3.994
  782   HG21  ILE  99          1HG2      ILE  99 -18.633  -5.905  -5.026
  783   HG22  ILE  99          2HG2      ILE  99 -17.766  -5.797  -3.482
  784   HG23  ILE  99          3HG2      ILE  99 -18.852  -4.493  -3.997
  785   HD11  ILE  99          3HD1      ILE  99 -15.455  -2.953  -2.281
  786   HD12  ILE  99          1HD1      ILE  99 -16.691  -4.211  -2.176
  787   HD13  ILE  99          2HD1      ILE  99 -15.111  -4.578  -2.903
  788    HA   PRO 100           HA       PRO 100 -16.707  -9.028  -7.695
  789    HB2  PRO 100           1HB      PRO 100 -17.368 -11.099  -6.072
  790    HB3  PRO 100           2HB      PRO 100 -15.687 -10.513  -6.215
  791    HG2  PRO 100           1HG      PRO 100 -17.741  -9.799  -4.084
  792    HG3  PRO 100           2HG      PRO 100 -16.053 -10.353  -3.840
  793    HD2  PRO 100           1HD      PRO 100 -16.765  -7.697  -3.843
  794    HD3  PRO 100           2HD      PRO 100 -15.185  -8.257  -4.462
  795    H    LYS 101           H        LYS 101 -18.593 -10.350  -8.266
  796    HA   LYS 101           HA       LYS 101 -21.073  -8.939  -8.132
  797    HB2  LYS 101           1HB      LYS 101 -22.020 -10.827  -9.312
  798    HB3  LYS 101           2HB      LYS 101 -20.448 -10.402  -9.986
  799    HG2  LYS 101           1HG      LYS 101 -19.410 -12.313  -8.743
  800    HG3  LYS 101           2HG      LYS 101 -21.007 -12.743  -8.099
  801    HD2  LYS 101           1HD      LYS 101 -21.846 -13.092 -10.407
  802    HD3  LYS 101           2HD      LYS 101 -20.247 -12.660 -11.053
  803    HE2  LYS 101           1HE      LYS 101 -19.234 -14.557  -9.798
  804    HE3  LYS 101           2HE      LYS 101 -20.825 -14.987  -9.158
  805    HZ1  LYS 101           3HZ      LYS 101 -20.256 -16.332 -11.090
  806    HZ2  LYS 101           1HZ      LYS 101 -21.556 -15.409 -11.440
  807    HZ3  LYS 101           2HZ      LYS 101 -20.084 -15.011 -12.033
  808    H    LYS 102           H        LYS 102 -19.762 -11.299  -5.944
  809    HA   LYS 102           HA       LYS 102 -22.080 -12.123  -4.523
  810    HB2  LYS 102           1HB      LYS 102 -19.761 -13.069  -4.426
  811    HB3  LYS 102           2HB      LYS 102 -19.248 -11.664  -3.483
  812    HG2  LYS 102           1HG      LYS 102 -20.793 -12.295  -1.665
  813    HG3  LYS 102           2HG      LYS 102 -21.428 -13.633  -2.646
  814    HD2  LYS 102           1HD      LYS 102 -19.180 -14.687  -2.652
  815    HD3  LYS 102           2HD      LYS 102 -18.545 -13.339  -1.681
  816    HE2  LYS 102           1HE      LYS 102 -20.164 -13.886   0.128
  817    HE3  LYS 102           2HE      LYS 102 -20.798 -15.224  -0.838
  818    HZ1  LYS 102           3HZ      LYS 102 -19.170 -15.997   0.779
  819    HZ2  LYS 102           1HZ      LYS 102 -18.599 -16.260  -0.727
  820    HZ3  LYS 102           2HZ      LYS 102 -18.011 -15.022   0.167
  821    H    GLY 103           H        GLY 103 -20.589  -8.978  -4.576
  822    HA2  GLY 103           1HA      GLY 103 -21.759  -7.915  -2.143
  823    HA3  GLY 103           2HA      GLY 103 -21.078  -7.002  -3.514
  824    H    VAL 104           H        VAL 104 -23.232  -8.774  -5.085
  825    HA   VAL 104           HA       VAL 104 -25.584  -6.978  -4.586
  826    HB   VAL 104           HB       VAL 104 -24.737  -8.315  -7.194
  827   HG11  VAL 104          1HG1      VAL 104 -27.187  -8.116  -7.062
  828   HG12  VAL 104          2HG1      VAL 104 -27.045  -6.411  -6.579
  829   HG13  VAL 104          3HG1      VAL 104 -26.550  -6.933  -8.204
  830   HG21  VAL 104          3HG2      VAL 104 -24.346  -5.993  -8.000
  831   HG22  VAL 104          1HG2      VAL 104 -24.655  -5.378  -6.361
  832   HG23  VAL 104          2HG2      VAL 104 -23.250  -6.420  -6.685
  833    H    SER 105           H        SER 105 -27.478  -7.943  -4.087
  834    HA   SER 105           HA       SER 105 -28.134 -10.711  -4.675
  835    HB2  SER 105           1HB      SER 105 -28.267 -11.472  -2.335
  836    HB3  SER 105           2HB      SER 105 -26.609 -11.141  -2.833
  837    HG   SER 105           HG       SER 105 -26.729  -9.133  -1.727
  838    H    GLY 106           H        GLY 106 -30.251 -11.354  -3.734
  839    HA2  GLY 106           1HA      GLY 106 -32.182  -9.140  -3.964
  840    HA3  GLY 106           2HA      GLY 106 -32.527 -10.879  -3.942
  841    HA   PRO 107           HA       PRO 107 -33.928  -8.865   0.077
  842    HB2  PRO 107           1HB      PRO 107 -36.317 -10.548  -0.684
  843    HB3  PRO 107           2HB      PRO 107 -36.277  -8.942   0.109
  844    HG2  PRO 107           1HG      PRO 107 -36.861  -9.137  -2.525
  845    HG3  PRO 107           2HG      PRO 107 -35.730  -7.861  -1.959
  846    HD2  PRO 107           1HD      PRO 107 -35.062 -10.555  -3.185
  847    HD3  PRO 107           2HD      PRO 107 -34.394  -8.940  -3.572
  848    H    SER 108           H        SER 108 -34.250  -9.901   2.128
  849    HA   SER 108           HA       SER 108 -32.819 -12.297   2.528
  850    HB2  SER 108           1HB      SER 108 -34.771 -10.962   4.434
  851    HB3  SER 108           2HB      SER 108 -33.433 -12.041   4.862
  852    HG   SER 108           HG       SER 108 -32.877  -9.818   5.140
  853    H    SER 109           H        SER 109 -36.036 -12.125   1.462
  854    HA   SER 109           HA       SER 109 -36.961 -14.652   2.679
  855    HB2  SER 109           1HB      SER 109 -39.001 -14.169   1.327
  856    HB3  SER 109           2HB      SER 109 -38.568 -12.886   2.465
  857    HG   SER 109           HG       SER 109 -39.127 -12.075   0.362
  858    H    GLY 110           H        GLY 110 -34.981 -13.879   0.024
  859    HA2  GLY 110           1HA      GLY 110 -34.834 -16.574  -0.937
  860    HA3  GLY 110           2HA      GLY 110 -35.835 -15.631  -2.038
  861   H5'1  ATP 201          H5"       ATP 111  11.596 -14.314   6.043
  862   H5'2  ATP 201          H5'       ATP 111  11.343 -13.061   7.259
  863    H4'  ATP 201           H4'      ATP 111   9.455 -14.507   7.317
  864    H3'  ATP 201           H3'      ATP 111   9.847 -15.080   4.654
  865   HO3'  ATP 201          H3T       ATP 111   7.538 -15.853   4.847
  866    H2'  ATP 201           H2'      ATP 111   9.116 -12.986   3.855
  867   HO2'  ATP 201          2HO       ATP 111   7.739 -14.501   2.792
  868    H1'  ATP 201           H1'      ATP 111   6.820 -13.065   5.827
  869    H8   ATP 201           8H       ATP 111   9.477 -10.720   4.189
  870   HN61  ATP 201          2H6       ATP 111   6.202  -7.060   3.225
  871   HN62  ATP 201          1H6       ATP 111   4.592  -6.821   3.886
  872    H2   ATP 201           2H       ATP 111   3.483 -10.087   6.416
  Start of MODEL    2
    1    HA   PRO   1           HA       PRO   1  17.146  22.563  -4.647
    2    HB2  PRO   1           1HB      PRO   1  15.649  23.565  -2.228
    3    HB3  PRO   1           2HB      PRO   1  16.939  22.331  -2.346
    4    HG2  PRO   1           1HG      PRO   1  17.206  25.181  -1.826
    5    HG3  PRO   1           2HG      PRO   1  18.539  24.002  -2.007
    6    HD2  PRO   1           1HD      PRO   1  18.106  26.045  -3.812
    7    HD3  PRO   1           2HD      PRO   1  18.835  24.478  -4.240
    8    H    SER   2           H        SER   2  15.474  20.874  -4.347
    9    HA   SER   2           HA       SER   2  12.649  21.463  -4.631
   10    HB2  SER   2           1HB      SER   2  13.407  21.968  -6.938
   11    HB3  SER   2           2HB      SER   2  14.136  20.356  -7.049
   12    HG   SER   2           HG       SER   2  11.971  20.571  -7.975
   13    H    SER   3           H        SER   3  11.349  19.521  -4.557
   14    HA   SER   3           HA       SER   3  12.644  17.136  -3.392
   15    HB2  SER   3           1HB      SER   3  10.286  16.380  -3.151
   16    HB3  SER   3           2HB      SER   3  10.608  17.936  -2.368
   17    HG   SER   3           HG       SER   3   8.642  17.936  -3.618
   18    H    GLY   4           H        GLY   4  11.824  18.234  -6.540
   19    HA2  GLY   4           1HA      GLY   4  12.233  17.236  -8.575
   20    HA3  GLY   4           2HA      GLY   4  12.708  15.744  -7.731
   21    H    SER   5           H        SER   5   9.555  16.656  -6.805
   22    HA   SER   5           HA       SER   5   8.073  15.402  -8.979
   23    HB2  SER   5           1HB      SER   5   9.225  13.463  -7.793
   24    HB3  SER   5           2HB      SER   5   8.239  13.852  -6.374
   25    HG   SER   5           HG       SER   5   7.303  12.226  -7.769
   26    H    SER   6           H        SER   6   5.742  14.867  -8.139
   27    HA   SER   6           HA       SER   6   4.624  16.436  -5.998
   28    HB2  SER   6           1HB      SER   6   5.189  18.267  -7.632
   29    HB3  SER   6           2HB      SER   6   4.107  17.496  -8.803
   30    HG   SER   6           HG       SER   6   3.080  19.181  -7.577
   31    H    GLY   7           H        GLY   7   2.350  16.064  -5.759
   32    HA2  GLY   7           1HA      GLY   7   0.324  14.948  -5.999
   33    HA3  GLY   7           2HA      GLY   7   0.792  14.524  -7.654
   34    H    PHE   8           H        PHE   8   0.132  12.426  -7.625
   35    HA   PHE   8           HA       PHE   8   1.528  10.483  -5.855
   36    HB2  PHE   8           1HB      PHE   8  -1.399  10.635  -6.685
   37    HB3  PHE   8           2HB      PHE   8  -0.662   9.226  -5.970
   38    HD1  PHE   8           1HD      PHE   8   0.221   9.282  -3.611
   39    HD2  PHE   8           2HD      PHE   8  -2.040  12.544  -5.301
   40    HE1  PHE   8           1HE      PHE   8  -0.215  10.164  -1.330
   41    HE2  PHE   8           2HE      PHE   8  -2.469  13.424  -3.020
   42    HZ   PHE   8           HZ       PHE   8  -1.558  12.239  -1.032
   43    H    LEU   9           H        LEU   9   1.620   8.324  -6.719
   44    HA   LEU   9           HA       LEU   9   2.578   8.296  -9.433
   45    HB2  LEU   9           1HB      LEU   9   3.604   7.036  -7.561
   46    HB3  LEU   9           2HB      LEU   9   2.137   6.071  -7.399
   47    HG   LEU   9           HG       LEU   9   2.516   5.106  -9.661
   48   HD11  LEU   9          1HD1      LEU   9   3.792   6.917 -10.751
   49   HD12  LEU   9          2HD1      LEU   9   5.124   6.697  -9.594
   50   HD13  LEU   9          3HD1      LEU   9   4.728   5.421 -10.765
   51   HD21  LEU   9          3HD2      LEU   9   4.435   3.701  -9.029
   52   HD22  LEU   9          1HD2      LEU   9   4.898   4.872  -7.773
   53   HD23  LEU   9          2HD2      LEU   9   3.368   3.976  -7.642
   54    H    ASP  10           H        ASP  10   1.700   7.543 -11.270
   55    HA   ASP  10           HA       ASP  10  -0.673   5.833 -11.366
   56    HB2  ASP  10           1HB      ASP  10  -1.251   8.411 -11.239
   57    HB3  ASP  10           2HB      ASP  10  -0.693   8.432 -12.905
   58    H    LYS  11           H        LYS  11  -1.174   5.418 -13.765
   59    HA   LYS  11           HA       LYS  11   1.362   4.950 -15.281
   60    HB2  LYS  11           1HB      LYS  11  -0.802   3.052 -14.307
   61    HB3  LYS  11           2HB      LYS  11   0.052   2.669 -15.775
   62    HG2  LYS  11           1HG      LYS  11   2.112   3.403 -13.951
   63    HG3  LYS  11           2HG      LYS  11   0.953   2.466 -12.996
   64    HD2  LYS  11           1HD      LYS  11   1.091   0.637 -14.734
   65    HD3  LYS  11           2HD      LYS  11   2.239   1.637 -15.639
   66    HE2  LYS  11           1HE      LYS  11   3.529   0.030 -14.439
   67    HE3  LYS  11           2HE      LYS  11   3.797   1.598 -13.676
   68    HZ1  LYS  11           3HZ      LYS  11   3.422  -0.164 -12.043
   69    HZ2  LYS  11           1HZ      LYS  11   2.220   0.936 -11.935
   70    HZ3  LYS  11           2HZ      LYS  11   1.953  -0.505 -12.667
   71    HA   PRO  12           HA       PRO  12  -0.594   6.256 -18.951
   72    HB2  PRO  12           1HB      PRO  12   0.483   4.711 -20.927
   73    HB3  PRO  12           2HB      PRO  12   1.420   5.906 -19.994
   74    HG2  PRO  12           1HG      PRO  12   1.152   2.922 -19.533
   75    HG3  PRO  12           2HG      PRO  12   2.677   3.873 -19.601
   76    HD2  PRO  12           1HD      PRO  12   1.472   3.199 -17.240
   77    HD3  PRO  12           2HD      PRO  12   2.316   4.746 -17.421
   78    H    THR  13           H        THR  13  -1.791   5.569 -20.869
   79    HA   THR  13           HA       THR  13  -3.540   3.300 -20.967
   80    HB   THR  13           HB       THR  13  -4.193   4.230 -18.722
   81    HG1  THR  13           1HG      THR  13  -5.795   3.134 -19.599
   82   HG21  THR  13          3HG2      THR  13  -5.239   6.294 -18.474
   83   HG22  THR  13          1HG2      THR  13  -3.826   6.675 -19.442
   84   HG23  THR  13          2HG2      THR  13  -5.417   6.562 -20.224
   85    H    LEU  14           H        LEU  14  -5.668   4.032 -22.023
   86    HA   LEU  14           HA       LEU  14  -5.095   5.788 -24.391
   87    HB2  LEU  14           1HB      LEU  14  -7.059   3.503 -23.971
   88    HB3  LEU  14           2HB      LEU  14  -6.834   4.362 -25.481
   89    HG   LEU  14           HG       LEU  14  -4.365   3.057 -24.307
   90   HD11  LEU  14          1HD1      LEU  14  -6.094   1.413 -23.868
   91   HD12  LEU  14          2HD1      LEU  14  -6.639   1.485 -25.562
   92   HD13  LEU  14          3HD1      LEU  14  -5.014   0.862 -25.169
   93   HD21  LEU  14          3HD2      LEU  14  -3.888   2.599 -26.658
   94   HD22  LEU  14          1HD2      LEU  14  -5.486   3.211 -27.138
   95   HD23  LEU  14          2HD2      LEU  14  -4.278   4.316 -26.443
   96    H    LEU  15           H        LEU  15  -7.067   5.359 -21.582
   97    HA   LEU  15           HA       LEU  15  -9.389   6.845 -22.525
   98    HB2  LEU  15           1HB      LEU  15  -8.743   6.201 -19.636
   99    HB3  LEU  15           2HB      LEU  15 -10.308   6.511 -20.357
  100    HG   LEU  15           HG       LEU  15  -8.596   4.022 -20.738
  101   HD11  LEU  15          1HD1      LEU  15  -9.777   4.220 -18.571
  102   HD12  LEU  15          2HD1      LEU  15 -11.317   4.451 -19.430
  103   HD13  LEU  15          3HD1      LEU  15 -10.443   2.909 -19.561
  104   HD21  LEU  15          3HD2      LEU  15 -10.518   3.107 -22.031
  105   HD22  LEU  15          1HD2      LEU  15 -11.283   4.713 -22.013
  106   HD23  LEU  15          2HD2      LEU  15  -9.740   4.455 -22.864
  107    H    SER  16           H        SER  16 -10.241   8.452 -20.697
  108    HA   SER  16           HA       SER  16  -8.516  10.851 -20.813
  109    HB2  SER  16           1HB      SER  16 -11.462  10.248 -20.546
  110    HB3  SER  16           2HB      SER  16 -10.851  11.783 -20.065
  111    HG   SER  16           HG       SER  16 -10.629  10.600 -22.662
  112    HA   PRO  17           HA       PRO  17  -7.721  10.979 -16.472
  113    HB2  PRO  17           1HB      PRO  17  -8.025  13.632 -15.828
  114    HB3  PRO  17           2HB      PRO  17  -6.669  12.996 -16.810
  115    HG2  PRO  17           1HG      PRO  17  -9.259  14.240 -17.804
  116    HG3  PRO  17           2HG      PRO  17  -7.577  14.624 -18.310
  117    HD2  PRO  17           1HD      PRO  17  -9.112  12.944 -19.760
  118    HD3  PRO  17           2HD      PRO  17  -7.368  12.616 -19.517
  119    H    GLU  18           H        GLU  18 -10.832  12.156 -17.605
  120    HA   GLU  18           HA       GLU  18 -12.050  12.070 -14.937
  121    HB2  GLU  18           1HB      GLU  18 -14.075  12.825 -16.044
  122    HB3  GLU  18           2HB      GLU  18 -12.695  13.843 -16.445
  123    HG2  GLU  18           1HG      GLU  18 -12.484  12.723 -18.647
  124    HG3  GLU  18           2HG      GLU  18 -13.846  11.669 -18.253
  125    H    GLU  19           H        GLU  19 -11.395   9.699 -17.294
  126    HA   GLU  19           HA       GLU  19 -13.717   7.977 -16.671
  127    HB2  GLU  19           1HB      GLU  19 -11.279   7.751 -18.462
  128    HB3  GLU  19           2HB      GLU  19 -12.257   6.352 -18.087
  129    HG2  GLU  19           1HG      GLU  19 -13.299   8.922 -19.352
  130    HG3  GLU  19           2HG      GLU  19 -12.792   7.490 -20.248
  131    H    LEU  20           H        LEU  20 -10.191   7.914 -16.382
  132    HA   LEU  20           HA       LEU  20  -9.864   5.533 -14.897
  133    HB2  LEU  20           1HB      LEU  20  -8.162   8.055 -14.817
  134    HB3  LEU  20           2HB      LEU  20  -7.597   6.438 -14.447
  135    HG   LEU  20           HG       LEU  20  -8.731   6.969 -17.217
  136   HD11  LEU  20          1HD1      LEU  20  -7.228   8.856 -16.619
  137   HD12  LEU  20          2HD1      LEU  20  -5.901   7.691 -16.427
  138   HD13  LEU  20          3HD1      LEU  20  -6.713   7.907 -18.011
  139   HD21  LEU  20          3HD2      LEU  20  -7.203   5.245 -17.887
  140   HD22  LEU  20          1HD2      LEU  20  -6.430   5.218 -16.287
  141   HD23  LEU  20          2HD2      LEU  20  -8.108   4.661 -16.486
  142    H    LYS  21           H        LYS  21  -9.949   8.908 -13.730
  143    HA   LYS  21           HA       LYS  21  -9.890   8.245 -10.930
  144    HB2  LYS  21           1HB      LYS  21 -10.620  10.714 -12.501
  145    HB3  LYS  21           2HB      LYS  21 -10.968  10.638 -10.784
  146    HG2  LYS  21           1HG      LYS  21  -8.825  11.741 -11.281
  147    HG3  LYS  21           2HG      LYS  21  -8.688  10.382 -10.167
  148    HD2  LYS  21           1HD      LYS  21  -7.653   8.982 -11.835
  149    HD3  LYS  21           2HD      LYS  21  -8.058  10.128 -13.125
  150    HE2  LYS  21           1HE      LYS  21  -6.609  11.843 -12.009
  151    HE3  LYS  21           2HE      LYS  21  -6.151  10.646 -10.792
  152    HZ1  LYS  21           3HZ      LYS  21  -4.528  10.865 -12.617
  153    HZ2  LYS  21           1HZ      LYS  21  -5.073   9.343 -12.526
  154    HZ3  LYS  21           2HZ      LYS  21  -5.628  10.344 -13.703
  155    H    ALA  22           H        ALA  22 -12.625   8.417 -13.201
  156    HA   ALA  22           HA       ALA  22 -14.661   8.194 -11.123
  157    HB1  ALA  22           1HB      ALA  22 -15.182   9.232 -13.266
  158    HB2  ALA  22           2HB      ALA  22 -14.794   7.729 -14.135
  159    HB3  ALA  22           3HB      ALA  22 -16.182   7.791 -13.031
  160    H    ALA  23           H        ALA  23 -12.941   5.799 -13.187
  161    HA   ALA  23           HA       ALA  23 -14.329   3.479 -12.283
  162    HB1  ALA  23           1HB      ALA  23 -12.729   3.600 -14.214
  163    HB2  ALA  23           2HB      ALA  23 -11.387   3.774 -13.052
  164    HB3  ALA  23           3HB      ALA  23 -12.343   2.284 -13.085
  165    H    SER  24           H        SER  24 -11.587   5.225 -10.863
  166    HA   SER  24           HA       SER  24 -11.198   3.415  -8.628
  167    HB2  SER  24           1HB      SER  24  -9.493   4.921  -9.620
  168    HB3  SER  24           2HB      SER  24 -10.366   6.319  -8.968
  169    HG   SER  24           HG       SER  24  -8.661   5.622  -7.566
  170    H    ARG  25           H        ARG  25 -12.709   6.673  -8.805
  171    HA   ARG  25           HA       ARG  25 -13.576   6.745  -6.102
  172    HB2  ARG  25           1HB      ARG  25 -13.199   8.684  -7.599
  173    HB3  ARG  25           2HB      ARG  25 -14.645   8.260  -8.509
  174    HG2  ARG  25           1HG      ARG  25 -15.056  10.082  -6.956
  175    HG3  ARG  25           2HG      ARG  25 -16.057   8.695  -6.545
  176    HD2  ARG  25           1HD      ARG  25 -14.529   8.122  -4.689
  177    HD3  ARG  25           2HD      ARG  25 -13.448   9.442  -5.135
  178    HE   ARG  25           HE       ARG  25 -16.025   9.589  -3.734
  179   HH11  ARG  25          1HH1      ARG  25 -13.614  11.543  -5.444
  180   HH12  ARG  25          2HH1      ARG  25 -14.158  13.018  -4.701
  181   HH21  ARG  25          1HH2      ARG  25 -16.670  11.524  -2.821
  182   HH22  ARG  25          2HH2      ARG  25 -15.863  13.005  -3.242
  183    H    GLY  26           H        GLY  26 -15.208   5.539  -9.005
  184    HA2  GLY  26           1HA      GLY  26 -17.840   5.198  -7.905
  185    HA3  GLY  26           2HA      GLY  26 -17.174   4.394  -9.348
  186    H    ASN  27           H        ASN  27 -14.936   3.285  -7.570
  187    HA   ASN  27           HA       ASN  27 -16.412   1.029  -6.302
  188    HB2  ASN  27           1HB      ASN  27 -13.520   1.494  -7.107
  189    HB3  ASN  27           2HB      ASN  27 -13.968   0.236  -5.959
  190   HD21  ASN  27          2HD2      ASN  27 -13.577   0.839  -9.294
  191   HD22  ASN  27          1HD2      ASN  27 -14.321  -0.681  -9.798
  192    H    GLY  28           H        GLY  28 -13.625   3.147  -5.384
  193    HA2  GLY  28           1HA      GLY  28 -13.354   4.484  -3.499
  194    HA3  GLY  28           2HA      GLY  28 -14.956   3.984  -2.900
  195    H    GLU  29           H        GLU  29 -13.223   1.262  -3.670
  196    HA   GLU  29           HA       GLU  29 -12.493   0.565  -0.917
  197    HB2  GLU  29           1HB      GLU  29 -13.149  -0.844  -3.352
  198    HB3  GLU  29           2HB      GLU  29 -11.510  -1.230  -2.957
  199    HG2  GLU  29           1HG      GLU  29 -13.049  -2.843  -1.898
  200    HG3  GLU  29           2HG      GLU  29 -12.196  -1.921  -0.664
  201    H    TYR  30           H        TYR  30 -10.226  -0.726  -0.913
  202    HA   TYR  30           HA       TYR  30  -7.997   0.446  -2.300
  203    HB2  TYR  30           1HB      TYR  30  -7.032   1.702  -0.455
  204    HB3  TYR  30           2HB      TYR  30  -8.564   2.395  -0.937
  205    HD1  TYR  30           1HD      TYR  30 -10.654   1.840   0.463
  206    HD2  TYR  30           2HD      TYR  30  -6.663   0.885   1.770
  207    HE1  TYR  30           1HE      TYR  30 -11.493   1.564   2.796
  208    HE2  TYR  30           2HE      TYR  30  -7.489   0.606   4.106
  209    HH   TYR  30           HH       TYR  30 -10.952   1.037   4.968
  210    H    ALA  31           H        ALA  31  -6.073  -0.555  -1.877
  211    HA   ALA  31           HA       ALA  31  -5.707  -2.338   0.435
  212    HB1  ALA  31           1HB      ALA  31  -6.813  -3.902  -0.961
  213    HB2  ALA  31           2HB      ALA  31  -6.028  -3.310  -2.433
  214    HB3  ALA  31           3HB      ALA  31  -5.102  -4.235  -1.222
  215    H    TRP  32           H        TRP  32  -3.594  -2.940   0.794
  216    HA   TRP  32           HA       TRP  32  -1.459  -1.632  -0.847
  217    HB2  TRP  32           1HB      TRP  32  -1.535  -2.358   2.103
  218    HB3  TRP  32           2HB      TRP  32  -0.060  -1.995   1.228
  219    HD1  TRP  32           HD       TRP  32  -3.362  -0.190   2.102
  220    HE1  TRP  32           1HE      TRP  32  -2.856   2.290   2.477
  221    HE3  TRP  32           3HE      TRP  32   1.628  -0.181   0.878
  222    HZ2  TRP  32           2HZ      TRP  32  -0.569   4.061   2.310
  223    HZ3  TRP  32           3HZ      TRP  32   2.928   1.927   1.011
  224    HH2  TRP  32           HH       TRP  32   1.839   4.043   1.705
  225    H    TYR  33           H        TYR  33   0.288  -2.881  -1.447
  226    HA   TYR  33           HA       TYR  33   0.216  -5.821  -0.950
  227    HB2  TYR  33           1HB      TYR  33   0.426  -4.440  -3.644
  228    HB3  TYR  33           2HB      TYR  33   0.819  -6.122  -3.386
  229    HD1  TYR  33           2HD      TYR  33  -2.010  -3.663  -3.230
  230    HD2  TYR  33           1HD      TYR  33  -0.812  -7.792  -3.599
  231    HE1  TYR  33           2HE      TYR  33  -4.349  -4.292  -3.771
  232    HE2  TYR  33           1HE      TYR  33  -3.157  -8.424  -4.125
  233    HH   TYR  33           HH       TYR  33  -5.801  -6.002  -4.293
  234    H    TYR  34           H        TYR  34   2.197  -6.911  -1.430
  235    HA   TYR  34           HA       TYR  34   4.665  -5.287  -1.734
  236    HB2  TYR  34           1HB      TYR  34   5.747  -6.438   0.070
  237    HB3  TYR  34           2HB      TYR  34   4.311  -5.630   0.668
  238    HD1  TYR  34           2HD      TYR  34   2.262  -6.963   1.288
  239    HD2  TYR  34           1HD      TYR  34   6.006  -8.829   0.253
  240    HE1  TYR  34           2HE      TYR  34   1.491  -9.080   2.336
  241    HE2  TYR  34           1HE      TYR  34   5.242 -10.950   1.305
  242    HH   TYR  34           HH       TYR  34   3.538 -12.032   2.411
  243    H    GLU  35           H        GLU  35   6.433  -6.452  -2.709
  244    HA   GLU  35           HA       GLU  35   5.588  -8.713  -4.379
  245    HB2  GLU  35           1HB      GLU  35   8.275  -7.316  -4.100
  246    HB3  GLU  35           2HB      GLU  35   7.972  -8.716  -5.138
  247    HG2  GLU  35           1HG      GLU  35   6.027  -7.304  -6.143
  248    HG3  GLU  35           2HG      GLU  35   6.863  -5.926  -5.416
  249    H    GLY  36           H        GLY  36   5.882 -10.772  -4.102
  250    HA2  GLY  36           1HA      GLY  36   7.954 -11.865  -2.240
  251    HA3  GLY  36           2HA      GLY  36   6.312 -12.534  -2.294
  252    H    ARG  37           H        ARG  37   7.661 -14.463  -2.749
  253    HA   ARG  37           HA       ARG  37   9.342 -14.890  -4.882
  254    HB2  ARG  37           1HB      ARG  37   8.886 -16.377  -2.928
  255    HB3  ARG  37           2HB      ARG  37   7.372 -16.875  -3.683
  256    HG2  ARG  37           1HG      ARG  37   8.731 -17.779  -5.639
  257    HG3  ARG  37           2HG      ARG  37  10.199 -17.302  -4.773
  258    HD2  ARG  37           1HD      ARG  37   9.839 -19.653  -4.414
  259    HD3  ARG  37           2HD      ARG  37   9.510 -18.815  -2.886
  260    HE   ARG  37           HE       ARG  37   7.102 -19.092  -4.453
  261   HH11  ARG  37          1HH1      ARG  37   9.197 -21.089  -2.410
  262   HH12  ARG  37          2HH1      ARG  37   7.899 -22.175  -2.006
  263   HH21  ARG  37          1HH2      ARG  37   5.511 -20.477  -3.897
  264   HH22  ARG  37          2HH2      ARG  37   5.820 -21.835  -2.849
  265    H    ASN  38           H        ASN  38   5.809 -15.326  -4.965
  266    HA   ASN  38           HA       ASN  38   5.903 -16.050  -7.846
  267    HB2  ASN  38           1HB      ASN  38   3.889 -16.545  -5.638
  268    HB3  ASN  38           2HB      ASN  38   3.556 -16.883  -7.334
  269   HD21  ASN  38          2HD2      ASN  38   4.522 -18.726  -8.310
  270   HD22  ASN  38          1HD2      ASN  38   5.454 -19.866  -7.356
  271    H    GLY  39           H        GLY  39   5.319 -13.205  -6.181
  272    HA2  GLY  39           1HA      GLY  39   4.830 -11.445  -8.080
  273    HA3  GLY  39           2HA      GLY  39   3.222 -12.157  -8.015
  274    H    TRP  40           H        TRP  40   2.571  -9.949  -7.460
  275    HA   TRP  40           HA       TRP  40   3.144  -8.797  -4.873
  276    HB2  TRP  40           1HB      TRP  40   0.804  -8.406  -6.780
  277    HB3  TRP  40           2HB      TRP  40   1.152  -7.408  -5.378
  278    HD1  TRP  40           HD       TRP  40   2.101  -7.900  -8.969
  279    HE1  TRP  40           1HE      TRP  40   3.768  -6.122  -9.722
  280    HE3  TRP  40           3HE      TRP  40   3.216  -5.866  -4.407
  281    HZ2  TRP  40           2HZ      TRP  40   5.275  -3.949  -8.519
  282    HZ3  TRP  40           3HZ      TRP  40   4.773  -3.951  -4.245
  283    HH2  TRP  40           HH       TRP  40   5.785  -2.951  -6.278
  284    H    TRP  41           H        TRP  41   2.219  -9.121  -2.947
  285    HA   TRP  41           HA       TRP  41  -0.278 -10.734  -2.685
  286    HB2  TRP  41           1HB      TRP  41   2.258 -10.961  -1.015
  287    HB3  TRP  41           2HB      TRP  41   0.739 -11.805  -0.698
  288    HD1  TRP  41           HD       TRP  41   3.943 -12.452  -2.242
  289    HE1  TRP  41           1HE      TRP  41   3.880 -14.251  -4.060
  290    HE3  TRP  41           3HE      TRP  41  -1.136 -12.871  -2.810
  291    HZ2  TRP  41           2HZ      TRP  41   1.897 -15.495  -5.757
  292    HZ3  TRP  41           3HZ      TRP  41  -2.078 -14.327  -4.560
  293    HH2  TRP  41           HH       TRP  41  -0.578 -15.647  -6.053
  294    H    GLN  42           H        GLN  42  -1.666 -10.146  -1.008
  295    HA   GLN  42           HA       GLN  42  -1.548  -7.266  -0.509
  296    HB2  GLN  42           1HB      GLN  42  -3.537  -8.644  -1.410
  297    HB3  GLN  42           2HB      GLN  42  -3.772  -9.181   0.258
  298    HG2  GLN  42           1HG      GLN  42  -3.918  -6.726   0.917
  299    HG3  GLN  42           2HG      GLN  42  -3.849  -6.314  -0.794
  300   HE21  GLN  42          2HE2      GLN  42  -6.041  -6.047   1.393
  301   HE22  GLN  42          1HE2      GLN  42  -7.443  -6.751   0.606
  302    H    TYR  43           H        TYR  43  -1.512  -6.213   1.450
  303    HA   TYR  43           HA       TYR  43  -0.600  -7.571   3.865
  304    HB2  TYR  43           1HB      TYR  43  -1.514  -4.758   3.195
  305    HB3  TYR  43           2HB      TYR  43  -1.148  -5.243   4.843
  306    HD1  TYR  43           2HD      TYR  43   1.150  -6.033   5.468
  307    HD2  TYR  43           1HD      TYR  43   0.274  -4.252   1.659
  308    HE1  TYR  43           2HE      TYR  43   3.551  -5.488   5.177
  309    HE2  TYR  43           1HE      TYR  43   2.679  -3.708   1.339
  310    HH   TYR  43           HH       TYR  43   5.159  -4.676   3.720
  311    H    ASP  44           H        ASP  44  -1.705  -7.661   5.879
  312    HA   ASP  44           HA       ASP  44  -4.590  -8.229   5.750
  313    HB2  ASP  44           1HB      ASP  44  -2.776  -9.420   7.165
  314    HB3  ASP  44           2HB      ASP  44  -2.929  -8.061   8.276
  315    H    GLU  45           H        GLU  45  -6.080  -7.176   7.236
  316    HA   GLU  45           HA       GLU  45  -6.057  -4.304   6.762
  317    HB2  GLU  45           1HB      GLU  45  -8.266  -4.306   7.823
  318    HB3  GLU  45           2HB      GLU  45  -8.124  -5.488   6.522
  319    HG2  GLU  45           1HG      GLU  45  -7.921  -7.320   8.138
  320    HG3  GLU  45           2HG      GLU  45  -7.895  -6.177   9.481
  321    H    ARG  46           H        ARG  46  -5.043  -6.254   9.441
  322    HA   ARG  46           HA       ARG  46  -5.079  -4.213  11.512
  323    HB2  ARG  46           1HB      ARG  46  -3.334  -6.693  11.155
  324    HB3  ARG  46           2HB      ARG  46  -3.264  -5.609  12.540
  325    HG2  ARG  46           1HG      ARG  46  -4.605  -7.294  13.294
  326    HG3  ARG  46           2HG      ARG  46  -5.758  -6.013  12.854
  327    HD2  ARG  46           1HD      ARG  46  -6.329  -7.200  10.799
  328    HD3  ARG  46           2HD      ARG  46  -5.020  -8.360  11.088
  329    HE   ARG  46           HE       ARG  46  -6.831  -8.414  13.288
  330   HH11  ARG  46          1HH1      ARG  46  -6.700  -9.382   9.879
  331   HH12  ARG  46          2HH1      ARG  46  -7.905 -10.626  10.093
  332   HH21  ARG  46          1HH2      ARG  46  -8.369 -10.052  13.496
  333   HH22  ARG  46          2HH2      ARG  46  -8.830 -11.000  12.115
  334    H    THR  47           H        THR  47  -2.934  -5.178   9.018
  335    HA   THR  47           HA       THR  47  -0.673  -3.469   9.794
  336    HB   THR  47           HB       THR  47  -0.932  -5.394   7.450
  337    HG1  THR  47           1HG      THR  47   0.087  -6.823   8.956
  338   HG21  THR  47          3HG2      THR  47   1.561  -5.511   7.765
  339   HG22  THR  47          1HG2      THR  47   0.994  -3.903   7.251
  340   HG23  THR  47          2HG2      THR  47   1.429  -4.182   8.946
  341    H    SER  48           H        SER  48  -2.738  -3.758   6.828
  342    HA   SER  48           HA       SER  48  -1.394  -1.683   5.419
  343    HB2  SER  48           1HB      SER  48  -3.303  -1.706   3.919
  344    HB3  SER  48           2HB      SER  48  -2.807  -3.354   4.334
  345    HG   SER  48           HG       SER  48  -5.103  -3.075   4.445
  346    H    ARG  49           H        ARG  49  -3.952  -1.460   7.843
  347    HA   ARG  49           HA       ARG  49  -4.636   1.258   7.353
  348    HB2  ARG  49           1HB      ARG  49  -5.738   1.274   9.411
  349    HB3  ARG  49           2HB      ARG  49  -5.914  -0.337   8.753
  350    HG2  ARG  49           1HG      ARG  49  -5.481  -0.791  10.969
  351    HG3  ARG  49           2HG      ARG  49  -3.914  -1.006  10.222
  352    HD2  ARG  49           1HD      ARG  49  -3.877   0.140  12.462
  353    HD3  ARG  49           2HD      ARG  49  -3.078   1.019  11.184
  354    HE   ARG  49           HE       ARG  49  -5.886   1.747  11.732
  355   HH11  ARG  49          1HH1      ARG  49  -2.488   2.611  12.388
  356   HH12  ARG  49          2HH1      ARG  49  -2.883   4.325  12.462
  357   HH21  ARG  49          1HH2      ARG  49  -6.278   3.960  12.019
  358   HH22  ARG  49          2HH2      ARG  49  -4.952   5.021  12.406
  359    H    GLU  50           H        GLU  50  -1.763  -0.126   8.914
  360    HA   GLU  50           HA       GLU  50  -1.002   2.333  10.282
  361    HB2  GLU  50           1HB      GLU  50   0.761   0.033   9.340
  362    HB3  GLU  50           2HB      GLU  50   1.225   1.283  10.479
  363    HG2  GLU  50           1HG      GLU  50  -1.062  -0.663  11.021
  364    HG3  GLU  50           2HG      GLU  50   0.612  -0.992  11.432
  365    H    LEU  51           H        LEU  51  -0.347   0.888   7.134
  366    HA   LEU  51           HA       LEU  51   1.512   2.841   6.139
  367    HB2  LEU  51           1HB      LEU  51  -0.307   0.971   4.572
  368    HB3  LEU  51           2HB      LEU  51   1.234   1.645   4.060
  369    HG   LEU  51           HG       LEU  51   0.892  -0.404   6.301
  370   HD11  LEU  51          1HD1      LEU  51   0.297  -1.287   4.074
  371   HD12  LEU  51          2HD1      LEU  51   1.905  -0.827   3.475
  372   HD13  LEU  51          3HD1      LEU  51   1.739  -2.043   4.763
  373   HD21  LEU  51          3HD2      LEU  51   3.357  -0.649   6.084
  374   HD22  LEU  51          1HD2      LEU  51   3.379   0.723   4.951
  375   HD23  LEU  51          2HD2      LEU  51   2.891   0.961   6.645
  376    H    GLU  52           H        GLU  52  -2.011   2.376   5.705
  377    HA   GLU  52           HA       GLU  52  -2.496   4.719   4.148
  378    HB2  GLU  52           1HB      GLU  52  -4.089   2.838   4.415
  379    HB3  GLU  52           2HB      GLU  52  -4.338   3.295   6.107
  380    HG2  GLU  52           1HG      GLU  52  -5.241   5.499   5.371
  381    HG3  GLU  52           2HG      GLU  52  -4.933   5.053   3.688
  382    H    ASP  53           H        ASP  53  -2.241   4.343   7.726
  383    HA   ASP  53           HA       ASP  53  -3.364   6.951   8.304
  384    HB2  ASP  53           1HB      ASP  53  -3.280   4.898   9.783
  385    HB3  ASP  53           2HB      ASP  53  -1.571   5.196  10.033
  386    H    ALA  54           H        ALA  54  -0.158   5.626   7.920
  387    HA   ALA  54           HA       ALA  54   1.422   7.768   8.862
  388    HB1  ALA  54           1HB      ALA  54   2.264   5.575   8.617
  389    HB2  ALA  54           2HB      ALA  54   1.902   5.526   6.882
  390    HB3  ALA  54           3HB      ALA  54   3.203   6.593   7.484
  391    H    PHE  55           H        PHE  55   0.552   7.162   5.378
  392    HA   PHE  55           HA       PHE  55   1.855   9.592   4.530
  393    HB2  PHE  55           1HB      PHE  55   1.312   9.003   2.434
  394    HB3  PHE  55           2HB      PHE  55   0.977   7.441   3.151
  395    HD1  PHE  55           1HD      PHE  55  -1.405   6.797   3.668
  396    HD2  PHE  55           2HD      PHE  55  -0.417  10.334   1.429
  397    HE1  PHE  55           1HE      PHE  55  -3.780   7.012   2.964
  398    HE2  PHE  55           2HE      PHE  55  -2.775  10.516   0.665
  399    HZ   PHE  55           HZ       PHE  55  -4.470   8.876   1.457
  400    H    SER  56           H        SER  56  -1.210   8.930   5.931
  401    HA   SER  56           HA       SER  56  -2.499  11.472   5.251
  402    HB2  SER  56           1HB      SER  56  -3.584   9.176   5.803
  403    HB3  SER  56           2HB      SER  56  -3.338   9.625   7.495
  404    HG   SER  56           HG       SER  56  -5.411  10.280   6.685
  405    H    LYS  57           H        LYS  57  -0.619  10.229   8.019
  406    HA   LYS  57           HA       LYS  57  -0.976  12.538   9.753
  407    HB2  LYS  57           1HB      LYS  57   0.999  10.237   9.590
  408    HB3  LYS  57           2HB      LYS  57   1.153  11.511  10.799
  409    HG2  LYS  57           1HG      LYS  57  -0.755  10.875  11.973
  410    HG3  LYS  57           2HG      LYS  57  -1.488  10.064  10.588
  411    HD2  LYS  57           1HD      LYS  57  -0.692   8.412  12.247
  412    HD3  LYS  57           2HD      LYS  57   0.097   8.251  10.691
  413    HE2  LYS  57           1HE      LYS  57   1.936   8.042  12.020
  414    HE3  LYS  57           2HE      LYS  57   1.986   9.771  11.735
  415    HZ1  LYS  57           3HZ      LYS  57   2.237   9.307  14.101
  416    HZ2  LYS  57           1HZ      LYS  57   0.833  10.108  13.868
  417    HZ3  LYS  57           2HZ      LYS  57   0.819   8.499  14.154
  418    H    GLY  58           H        GLY  58   1.537  11.530   7.422
  419    HA2  GLY  58           1HA      GLY  58   2.427  13.385   5.995
  420    HA3  GLY  58           2HA      GLY  58   2.747  14.285   7.495
  421    H    LYS  59           H        LYS  59   3.451  11.136   8.342
  422    HA   LYS  59           HA       LYS  59   6.291  11.541   8.047
  423    HB2  LYS  59           1HB      LYS  59   6.439   9.155   8.875
  424    HB3  LYS  59           2HB      LYS  59   5.684  10.313   9.953
  425    HG2  LYS  59           1HG      LYS  59   3.497   9.482   9.564
  426    HG3  LYS  59           2HG      LYS  59   4.018   8.614   8.114
  427    HD2  LYS  59           1HD      LYS  59   3.608   7.098  10.020
  428    HD3  LYS  59           2HD      LYS  59   5.254   7.014   9.422
  429    HE2  LYS  59           1HE      LYS  59   6.001   8.490  11.305
  430    HE3  LYS  59           2HE      LYS  59   4.347   8.497  11.925
  431    HZ1  LYS  59           3HZ      LYS  59   5.632   6.807  13.048
  432    HZ2  LYS  59           1HZ      LYS  59   4.549   6.023  12.101
  433    HZ3  LYS  59           2HZ      LYS  59   6.114   6.126  11.648
  434    H    LYS  60           H        LYS  60   7.755  10.334   6.921
  435    HA   LYS  60           HA       LYS  60   6.880   9.635   4.168
  436    HB2  LYS  60           1HB      LYS  60   9.026  10.267   3.468
  437    HB3  LYS  60           2HB      LYS  60   8.532  11.471   4.640
  438    HG2  LYS  60           1HG      LYS  60   9.971  10.288   6.332
  439    HG3  LYS  60           2HG      LYS  60  10.517   9.195   5.043
  440    HD2  LYS  60           1HD      LYS  60  11.378  11.132   3.762
  441    HD3  LYS  60           2HD      LYS  60  10.849  12.225   5.058
  442    HE2  LYS  60           1HE      LYS  60  12.338  11.036   6.662
  443    HE3  LYS  60           2HE      LYS  60  12.869   9.952   5.367
  444    HZ1  LYS  60           3HZ      LYS  60  14.434  11.771   5.699
  445    HZ2  LYS  60           1HZ      LYS  60  13.776  11.891   4.209
  446    HZ3  LYS  60           2HZ      LYS  60  13.285  12.892   5.407
  447    H    ASN  61           H        ASN  61   7.462   7.951   6.923
  448    HA   ASN  61           HA       ASN  61   7.563   5.417   5.654
  449    HB2  ASN  61           1HB      ASN  61   9.668   4.531   6.454
  450    HB3  ASN  61           2HB      ASN  61   9.994   5.905   5.409
  451   HD21  ASN  61          2HD2      ASN  61  10.248   8.017   6.567
  452   HD22  ASN  61          1HD2      ASN  61  11.169   8.037   8.062
  453    H    THR  62           H        THR  62   6.878   3.861   7.018
  454    HA   THR  62           HA       THR  62   6.626   4.460   9.946
  455    HB   THR  62           HB       THR  62   4.552   5.036   8.632
  456    HG1  THR  62           1HG      THR  62   3.306   4.021  10.341
  457   HG21  THR  62          3HG2      THR  62   2.999   3.221   8.117
  458   HG22  THR  62          1HG2      THR  62   4.484   2.982   7.184
  459   HG23  THR  62          2HG2      THR  62   4.171   1.995   8.629
  460    H    GLU  63           H        GLU  63   5.548   2.370  11.006
  461    HA   GLU  63           HA       GLU  63   7.412   0.116  10.378
  462    HB2  GLU  63           1HB      GLU  63   6.831   1.542  13.006
  463    HB3  GLU  63           2HB      GLU  63   7.569  -0.061  12.919
  464    HG2  GLU  63           1HG      GLU  63   9.390   0.795  11.542
  465    HG3  GLU  63           2HG      GLU  63   8.705   2.420  11.563
  466    H    MET  64           H        MET  64   6.762  -1.904  10.824
  467    HA   MET  64           HA       MET  64   4.087  -2.499  11.926
  468    HB2  MET  64           1HB      MET  64   3.491  -3.746   9.819
  469    HB3  MET  64           2HB      MET  64   3.468  -1.989   9.679
  470    HG2  MET  64           1HG      MET  64   5.638  -1.995   8.558
  471    HG3  MET  64           2HG      MET  64   5.824  -3.725   8.851
  472    HE1  MET  64           3HE      MET  64   5.762  -3.556   5.102
  473    HE2  MET  64           1HE      MET  64   6.706  -3.162   6.535
  474    HE3  MET  64           2HE      MET  64   6.064  -4.817   6.324
  475    H    LEU  65           H        LEU  65   3.728  -4.602  12.443
  476    HA   LEU  65           HA       LEU  65   6.112  -6.353  12.675
  477    HB2  LEU  65           1HB      LEU  65   4.332  -5.404  14.612
  478    HB3  LEU  65           2HB      LEU  65   3.638  -6.959  14.236
  479    HG   LEU  65           HG       LEU  65   5.076  -7.093  16.149
  480   HD11  LEU  65          1HD1      LEU  65   5.061  -9.082  14.668
  481   HD12  LEU  65          2HD1      LEU  65   6.552  -8.482  13.898
  482   HD13  LEU  65          3HD1      LEU  65   6.555  -8.915  15.610
  483   HD21  LEU  65          3HD2      LEU  65   7.435  -6.560  16.138
  484   HD22  LEU  65          1HD2      LEU  65   7.397  -6.198  14.402
  485   HD23  LEU  65          2HD2      LEU  65   6.513  -5.160  15.542
  486    H    ILE  66           H        ILE  66   6.046  -8.428  12.079
  487    HA   ILE  66           HA       ILE  66   3.714  -9.430  10.451
  488    HB   ILE  66           HB       ILE  66   5.185 -10.328   8.822
  489   HG12  ILE  66          1HG1      ILE  66   7.645  -8.890   9.414
  490   HG13  ILE  66          2HG1      ILE  66   7.268  -9.929  10.768
  491   HG21  ILE  66          1HG2      ILE  66   4.234  -8.037   8.623
  492   HG22  ILE  66          2HG2      ILE  66   5.775  -7.371   9.202
  493   HG23  ILE  66          3HG2      ILE  66   5.703  -8.310   7.692
  494   HD11  ILE  66          3HD1      ILE  66   8.705 -10.918   8.877
  495   HD12  ILE  66          1HD1      ILE  66   7.380 -11.909   9.504
  496   HD13  ILE  66          2HD1      ILE  66   7.195 -11.047   7.969
  497    H    ALA  67           H        ALA  67   5.158 -11.936   9.844
  498    HA   ALA  67           HA       ALA  67   4.171 -13.605  11.862
  499    HB1  ALA  67           1HB      ALA  67   4.659 -14.229   9.490
  500    HB2  ALA  67           2HB      ALA  67   6.405 -14.095   9.828
  501    HB3  ALA  67           3HB      ALA  67   5.434 -15.345  10.632
  502    H    GLY  68           H        GLY  68   7.174 -11.867  11.947
  503    HA2  GLY  68           1HA      GLY  68   7.746 -12.632  14.625
  504    HA3  GLY  68           2HA      GLY  68   8.767 -13.583  13.568
  505    H    PHE  69           H        PHE  69   8.096 -10.335  12.420
  506    HA   PHE  69           HA       PHE  69  10.702  -9.299  13.356
  507    HB2  PHE  69           1HB      PHE  69  10.038  -9.808  10.424
  508    HB3  PHE  69           2HB      PHE  69  11.442  -8.944  10.998
  509    HD1  PHE  69           1HD      PHE  69  13.084 -10.206  12.584
  510    HD2  PHE  69           2HD      PHE  69  10.145 -12.192  10.123
  511    HE1  PHE  69           1HE      PHE  69  14.364 -12.328  12.758
  512    HE2  PHE  69           2HE      PHE  69  11.445 -14.294  10.271
  513    HZ   PHE  69           HZ       PHE  69  13.550 -14.373  11.594
  514    H    LEU  70           H        LEU  70  11.091  -7.100  12.747
  515    HA   LEU  70           HA       LEU  70   8.624  -5.471  12.376
  516    HB2  LEU  70           1HB      LEU  70  10.187  -5.187  14.422
  517    HB3  LEU  70           2HB      LEU  70  11.376  -4.584  13.281
  518    HG   LEU  70           HG       LEU  70  10.407  -2.749  14.396
  519   HD11  LEU  70          1HD1      LEU  70  10.726  -2.496  11.862
  520   HD12  LEU  70          2HD1      LEU  70   8.949  -2.602  11.759
  521   HD13  LEU  70          3HD1      LEU  70   9.706  -1.311  12.688
  522   HD21  LEU  70          3HD2      LEU  70   7.993  -2.187  14.328
  523   HD22  LEU  70          1HD2      LEU  70   7.660  -3.767  13.587
  524   HD23  LEU  70          2HD2      LEU  70   8.347  -3.677  15.224
  525    H    TYR  71           H        TYR  71   8.338  -4.617  10.483
  526    HA   TYR  71           HA       TYR  71  10.639  -4.133   8.619
  527    HB2  TYR  71           1HB      TYR  71   7.753  -4.791   8.032
  528    HB3  TYR  71           2HB      TYR  71   8.837  -4.116   6.825
  529    HD1  TYR  71           1HD      TYR  71  11.350  -5.501   7.024
  530    HD2  TYR  71           2HD      TYR  71   7.359  -7.015   7.523
  531    HE1  TYR  71           1HE      TYR  71  12.122  -7.763   6.367
  532    HE2  TYR  71           2HE      TYR  71   8.136  -9.288   7.009
  533    HH   TYR  71           HH       TYR  71  11.540  -9.906   5.941
  534    H    VAL  72           H        VAL  72  11.090  -2.178   8.068
  535    HA   VAL  72           HA       VAL  72   9.383   0.127   8.811
  536    HB   VAL  72           HB       VAL  72  12.138   0.116   7.542
  537   HG11  VAL  72          1HG1      VAL  72  10.862   2.209   7.150
  538   HG12  VAL  72          2HG1      VAL  72  10.544   2.342   8.895
  539   HG13  VAL  72          3HG1      VAL  72  12.199   2.488   8.274
  540   HG21  VAL  72          3HG2      VAL  72  13.012   0.752   9.766
  541   HG22  VAL  72          1HG2      VAL  72  11.413   0.447  10.472
  542   HG23  VAL  72          2HG2      VAL  72  12.347  -0.882   9.751
  543    H    ALA  73           H        ALA  73   7.934   0.732   7.317
  544    HA   ALA  73           HA       ALA  73   8.249  -0.008   4.436
  545    HB1  ALA  73           1HB      ALA  73   6.198  -0.799   5.546
  546    HB2  ALA  73           2HB      ALA  73   5.819   0.861   6.058
  547    HB3  ALA  73           3HB      ALA  73   5.824   0.441   4.331
  548    H    ASP  74           H        ASP  74   9.166   1.527   3.259
  549    HA   ASP  74           HA       ASP  74   9.058   4.376   4.012
  550    HB2  ASP  74           1HB      ASP  74  11.209   3.281   3.431
  551    HB3  ASP  74           2HB      ASP  74  10.595   2.972   1.804
  552    H    LEU  75           H        LEU  75   7.623   5.683   3.228
  553    HA   LEU  75           HA       LEU  75   5.678   4.798   1.220
  554    HB2  LEU  75           1HB      LEU  75   5.884   7.037   3.259
  555    HB3  LEU  75           2HB      LEU  75   4.698   7.126   1.978
  556    HG   LEU  75           HG       LEU  75   3.563   5.170   2.702
  557   HD11  LEU  75          1HD1      LEU  75   5.295   3.702   3.536
  558   HD12  LEU  75          2HD1      LEU  75   5.545   4.785   4.937
  559   HD13  LEU  75          3HD1      LEU  75   4.004   3.925   4.719
  560   HD21  LEU  75          3HD2      LEU  75   2.620   6.042   4.728
  561   HD22  LEU  75          1HD2      LEU  75   4.142   6.856   5.165
  562   HD23  LEU  75          2HD2      LEU  75   3.182   7.433   3.797
  563    H    GLU  76           H        GLU  76   8.590   6.560   1.030
  564    HA   GLU  76           HA       GLU  76   7.695   8.366  -1.149
  565    HB2  GLU  76           1HB      GLU  76  10.385   7.961   0.221
  566    HB3  GLU  76           2HB      GLU  76  10.052   9.147  -1.027
  567    HG2  GLU  76           1HG      GLU  76   8.640   9.024   1.679
  568    HG3  GLU  76           2HG      GLU  76  10.040  10.019   1.343
  569    H    ASN  77           H        ASN  77  10.064   5.753  -0.600
  570    HA   ASN  77           HA       ASN  77  10.656   5.427  -3.471
  571    HB2  ASN  77           1HB      ASN  77  11.625   3.969  -0.974
  572    HB3  ASN  77           2HB      ASN  77  12.260   3.731  -2.601
  573   HD21  ASN  77          2HD2      ASN  77  12.095   5.987   0.145
  574   HD22  ASN  77          1HD2      ASN  77  13.442   6.982  -0.399
  575    H    MET  78           H        MET  78   8.356   4.259  -1.296
  576    HA   MET  78           HA       MET  78   6.919   2.491  -1.129
  577    HB2  MET  78           1HB      MET  78   7.271   2.303  -4.137
  578    HB3  MET  78           2HB      MET  78   6.007   1.527  -3.186
  579    HG2  MET  78           1HG      MET  78   6.197   4.494  -2.871
  580    HG3  MET  78           2HG      MET  78   5.743   3.894  -4.452
  581    HE1  MET  78           3HE      MET  78   3.192   3.621  -0.637
  582    HE2  MET  78           1HE      MET  78   4.770   2.809  -0.664
  583    HE3  MET  78           2HE      MET  78   4.666   4.575  -0.866
  584    H    VAL  79           H        VAL  79   8.988   1.657  -0.023
  585    HA   VAL  79           HA       VAL  79   9.301  -1.161  -0.876
  586    HB   VAL  79           HB       VAL  79  11.724  -1.232  -0.394
  587   HG11  VAL  79          1HG1      VAL  79  11.019  -1.074  -2.728
  588   HG12  VAL  79          2HG1      VAL  79  11.113   0.704  -2.646
  589   HG13  VAL  79          3HG1      VAL  79  12.575  -0.281  -2.442
  590   HG21  VAL  79          3HG2      VAL  79  13.037   0.905  -0.405
  591   HG22  VAL  79          1HG2      VAL  79  11.526   1.792  -0.182
  592   HG23  VAL  79          2HG2      VAL  79  12.078   0.628   1.051
  593    H    GLN  80           H        GLN  80  10.152  -2.559   0.826
  594    HA   GLN  80           HA       GLN  80   9.945  -1.458   3.589
  595    HB2  GLN  80           1HB      GLN  80   9.050  -3.658   4.287
  596    HB3  GLN  80           2HB      GLN  80   7.951  -2.788   3.213
  597    HG2  GLN  80           1HG      GLN  80   8.403  -4.207   1.368
  598    HG3  GLN  80           2HG      GLN  80   9.897  -4.823   2.071
  599   HE21  GLN  80          2HE2      GLN  80   9.599  -6.115   4.232
  600   HE22  GLN  80          1HE2      GLN  80   8.302  -7.289   4.074
  601    H    TYR  81           H        TYR  81  11.395  -2.216   5.096
  602    HA   TYR  81           HA       TYR  81  13.330  -4.333   4.514
  603    HB2  TYR  81           1HB      TYR  81  15.286  -2.773   4.919
  604    HB3  TYR  81           2HB      TYR  81  14.495  -2.667   3.367
  605    HD1  TYR  81           1HD      TYR  81  14.549  -0.974   6.748
  606    HD2  TYR  81           2HD      TYR  81  13.779  -0.605   2.522
  607    HE1  TYR  81           1HE      TYR  81  14.323   1.472   7.011
  608    HE2  TYR  81           2HE      TYR  81  13.557   1.851   2.770
  609    HH   TYR  81           HH       TYR  81  13.926   3.486   5.954
  610    H    ARG  82           H        ARG  82  14.778  -4.759   6.377
  611    HA   ARG  82           HA       ARG  82  13.357  -4.491   8.936
  612    HB2  ARG  82           1HB      ARG  82  16.048  -5.772   8.296
  613    HB3  ARG  82           2HB      ARG  82  15.152  -5.910   9.819
  614    HG2  ARG  82           1HG      ARG  82  13.250  -6.971   8.571
  615    HG3  ARG  82           2HG      ARG  82  14.228  -6.916   7.091
  616    HD2  ARG  82           1HD      ARG  82  15.964  -8.314   8.262
  617    HD3  ARG  82           2HD      ARG  82  14.838  -8.471   9.624
  618    HE   ARG  82           HE       ARG  82  13.863  -9.256   6.911
  619   HH11  ARG  82          1HH1      ARG  82  15.122 -10.561   9.990
  620   HH12  ARG  82          2HH1      ARG  82  14.484 -12.135   9.593
  621   HH21  ARG  82          1HH2      ARG  82  13.266 -11.164   6.503
  622   HH22  ARG  82          2HH2      ARG  82  13.555 -12.537   7.572
  623    H    ARG  83           H        ARG  83  14.196  -3.432  10.824
  624    HA   ARG  83           HA       ARG  83  14.951  -0.801  10.430
  625    HB2  ARG  83           1HB      ARG  83  15.155  -2.587  12.873
  626    HB3  ARG  83           2HB      ARG  83  15.648  -0.891  12.931
  627    HG2  ARG  83           1HG      ARG  83  13.435  -0.131  12.251
  628    HG3  ARG  83           2HG      ARG  83  12.893  -1.800  12.036
  629    HD2  ARG  83           1HD      ARG  83  12.090  -0.851  14.183
  630    HD3  ARG  83           2HD      ARG  83  13.095  -2.274  14.398
  631    HE   ARG  83           HE       ARG  83  14.776  -1.014  15.387
  632   HH11  ARG  83          1HH1      ARG  83  12.166   1.224  14.431
  633   HH12  ARG  83          2HH1      ARG  83  12.952   2.559  15.222
  634   HH21  ARG  83          1HH2      ARG  83  15.659   0.748  16.412
  635   HH22  ARG  83          2HH2      ARG  83  14.858   2.288  16.355
  636    H    ASN  84           H        ASN  84  17.270  -3.443  10.880
  637    HA   ASN  84           HA       ASN  84  19.538  -1.562  11.118
  638    HB2  ASN  84           1HB      ASN  84  19.364  -4.588  11.258
  639    HB3  ASN  84           2HB      ASN  84  20.850  -3.660  11.454
  640   HD21  ASN  84          2HD2      ASN  84  18.274  -5.015  13.180
  641   HD22  ASN  84          1HD2      ASN  84  18.468  -4.080  14.652
  642    H    GLU  85           H        GLU  85  17.863  -2.695   8.475
  643    HA   GLU  85           HA       GLU  85  20.235  -3.238   6.768
  644    HB2  GLU  85           1HB      GLU  85  18.524  -5.009   7.023
  645    HB3  GLU  85           2HB      GLU  85  17.292  -3.915   6.401
  646    HG2  GLU  85           1HG      GLU  85  18.070  -5.533   4.734
  647    HG3  GLU  85           2HG      GLU  85  18.326  -3.869   4.221
  648    H    HIS  86           H        HIS  86  20.325  -2.355   4.660
  649    HA   HIS  86           HA       HIS  86  18.730   0.106   4.085
  650    HB2  HIS  86           1HB      HIS  86  20.681   0.904   5.213
  651    HB3  HIS  86           2HB      HIS  86  21.741  -0.195   4.335
  652    HD2  HIS  86           2HD      HIS  86  22.493   0.419   1.901
  653    HE1  HIS  86           1HE      HIS  86  20.873   4.359   1.769
  654    HE2  HIS  86           2HE      HIS  86  22.420   2.713   0.589
  655    H    GLY  87           H        GLY  87  20.715  -2.579   2.860
  656    HA2  GLY  87           1HA      GLY  87  20.443  -1.731   0.025
  657    HA3  GLY  87           2HA      GLY  87  21.380  -3.102   0.670
  658    H    ARG  88           H        ARG  88  19.783  -4.720   1.911
  659    HA   ARG  88           HA       ARG  88  18.018  -5.872  -0.082
  660    HB2  ARG  88           1HB      ARG  88  19.206  -7.348   1.347
  661    HB3  ARG  88           2HB      ARG  88  18.678  -6.524   2.797
  662    HG2  ARG  88           1HG      ARG  88  17.572  -8.641   2.630
  663    HG3  ARG  88           2HG      ARG  88  16.378  -7.357   2.500
  664    HD2  ARG  88           1HD      ARG  88  16.272  -7.690   0.047
  665    HD3  ARG  88           2HD      ARG  88  17.536  -8.934   0.162
  666    HE   ARG  88           HE       ARG  88  15.426  -9.645   1.952
  667   HH11  ARG  88          1HH1      ARG  88  15.921  -9.580  -1.572
  668   HH12  ARG  88          2HH1      ARG  88  14.791 -10.885  -1.798
  669   HH21  ARG  88          1HH2      ARG  88  14.101 -11.157   1.631
  670   HH22  ARG  88          2HH2      ARG  88  13.751 -11.839   0.041
  671    H    ARG  89           H        ARG  89  16.193  -4.955  -0.616
  672    HA   ARG  89           HA       ARG  89  14.108  -4.397   1.377
  673    HB2  ARG  89           1HB      ARG  89  13.651  -2.167   0.670
  674    HB3  ARG  89           2HB      ARG  89  15.321  -2.281   1.198
  675    HG2  ARG  89           1HG      ARG  89  15.891  -2.531  -1.356
  676    HG3  ARG  89           2HG      ARG  89  14.233  -1.936  -1.603
  677    HD2  ARG  89           1HD      ARG  89  14.874  -0.009  -0.015
  678    HD3  ARG  89           2HD      ARG  89  16.531  -0.571  -0.158
  679    HE   ARG  89           HE       ARG  89  15.583  -0.298  -2.784
  680   HH11  ARG  89          1HH1      ARG  89  16.226   1.886  -0.077
  681   HH12  ARG  89          2HH1      ARG  89  16.446   3.259  -1.118
  682   HH21  ARG  89          1HH2      ARG  89  15.893   1.512  -4.072
  683   HH22  ARG  89          2HH2      ARG  89  16.272   3.045  -3.347
  684    H    ARG  90           H        ARG  90  12.049  -4.566   0.596
  685    HA   ARG  90           HA       ARG  90  11.736  -5.785  -2.141
  686    HB2  ARG  90           1HB      ARG  90  10.319  -6.367   0.486
  687    HB3  ARG  90           2HB      ARG  90   9.741  -6.946  -1.078
  688    HG2  ARG  90           1HG      ARG  90  11.711  -8.283  -1.430
  689    HG3  ARG  90           2HG      ARG  90  12.558  -7.524  -0.080
  690    HD2  ARG  90           1HD      ARG  90  11.868  -9.716   0.581
  691    HD3  ARG  90           2HD      ARG  90  10.982  -8.516   1.527
  692    HE   ARG  90           HE       ARG  90   9.291  -9.130  -0.619
  693   HH11  ARG  90          1HH1      ARG  90  10.786 -11.031   2.013
  694   HH12  ARG  90          2HH1      ARG  90   9.455 -12.175   1.988
  695   HH21  ARG  90          1HH2      ARG  90   7.656 -10.563  -0.475
  696   HH22  ARG  90          2HH2      ARG  90   7.708 -11.895   0.678
  697    H    LYS  91           H        LYS  91  10.204  -4.970  -3.483
  698    HA   LYS  91           HA       LYS  91   9.182  -2.326  -3.073
  699    HB2  LYS  91           1HB      LYS  91   8.910  -4.525  -5.100
  700    HB3  LYS  91           2HB      LYS  91   7.685  -3.286  -5.143
  701    HG2  LYS  91           1HG      LYS  91  10.667  -2.707  -5.292
  702    HG3  LYS  91           2HG      LYS  91   9.642  -2.956  -6.701
  703    HD2  LYS  91           1HD      LYS  91   9.346  -0.737  -4.652
  704    HD3  LYS  91           2HD      LYS  91  10.010  -0.561  -6.256
  705    HE2  LYS  91           1HE      LYS  91   7.118  -1.301  -5.622
  706    HE3  LYS  91           2HE      LYS  91   7.696   0.309  -6.012
  707    HZ1  LYS  91           3HZ      LYS  91   6.805  -0.772  -7.977
  708    HZ2  LYS  91           1HZ      LYS  91   8.400  -0.498  -8.186
  709    HZ3  LYS  91           2HZ      LYS  91   7.870  -2.010  -7.859
  710    H    ILE  92           H        ILE  92   7.213  -1.489  -2.693
  711    HA   ILE  92           HA       ILE  92   4.901  -3.291  -2.148
  712    HB   ILE  92           HB       ILE  92   4.075  -1.890  -0.379
  713   HG12  ILE  92          1HG1      ILE  92   6.647  -0.332  -0.579
  714   HG13  ILE  92          2HG1      ILE  92   5.069   0.237  -1.146
  715   HG21  ILE  92          1HG2      ILE  92   5.618  -3.794   0.159
  716   HG22  ILE  92          2HG2      ILE  92   6.952  -2.630   0.278
  717   HG23  ILE  92          3HG2      ILE  92   5.567  -2.523   1.384
  718   HD11  ILE  92          3HD1      ILE  92   5.524   1.272   0.954
  719   HD12  ILE  92          1HD1      ILE  92   4.273   0.041   1.255
  720   HD13  ILE  92          2HD1      ILE  92   5.967  -0.263   1.714
  721    H    LYS  93           H        LYS  93   2.801  -2.060  -2.330
  722    HA   LYS  93           HA       LYS  93   2.804   0.364  -3.935
  723    HB2  LYS  93           1HB      LYS  93   1.681  -0.444  -5.883
  724    HB3  LYS  93           2HB      LYS  93   3.157  -1.380  -5.703
  725    HG2  LYS  93           1HG      LYS  93   1.941  -3.304  -4.895
  726    HG3  LYS  93           2HG      LYS  93   0.442  -2.376  -4.731
  727    HD2  LYS  93           1HD      LYS  93   0.330  -2.033  -7.152
  728    HD3  LYS  93           2HD      LYS  93   1.808  -2.999  -7.373
  729    HE2  LYS  93           1HE      LYS  93   0.743  -4.993  -6.569
  730    HE3  LYS  93           2HE      LYS  93  -0.620  -4.090  -5.891
  731    HZ1  LYS  93           3HZ      LYS  93  -1.168  -5.200  -8.000
  732    HZ2  LYS  93           1HZ      LYS  93  -1.401  -3.586  -8.076
  733    HZ3  LYS  93           2HZ      LYS  93  -0.086  -4.267  -8.799
  734    H    ARG  94           H        ARG  94   0.591   1.066  -4.495
  735    HA   ARG  94           HA       ARG  94  -1.519   0.201  -2.547
  736    HB2  ARG  94           1HB      ARG  94  -1.059   2.938  -3.811
  737    HB3  ARG  94           2HB      ARG  94  -2.428   2.483  -2.786
  738    HG2  ARG  94           1HG      ARG  94  -0.858   2.007  -0.910
  739    HG3  ARG  94           2HG      ARG  94   0.506   2.485  -1.926
  740    HD2  ARG  94           1HD      ARG  94   0.010   4.345  -0.545
  741    HD3  ARG  94           2HD      ARG  94  -0.527   4.758  -2.179
  742    HE   ARG  94           HE       ARG  94  -2.728   3.617  -0.805
  743   HH11  ARG  94          1HH1      ARG  94  -0.769   6.545  -0.528
  744   HH12  ARG  94          2HH1      ARG  94  -2.053   7.442   0.231
  745   HH21  ARG  94          1HH2      ARG  94  -4.376   4.860   0.074
  746   HH22  ARG  94          2HH2      ARG  94  -4.075   6.514   0.511
  747    H    ASP  95           H        ASP  95  -3.544  -0.182  -3.381
  748    HA   ASP  95           HA       ASP  95  -4.146   0.224  -6.237
  749    HB2  ASP  95           1HB      ASP  95  -2.945  -2.190  -5.445
  750    HB3  ASP  95           2HB      ASP  95  -4.675  -2.555  -5.418
  751    H    ILE  96           H        ILE  96  -6.324  -1.018  -6.685
  752    HA   ILE  96           HA       ILE  96  -8.313  -0.365  -4.530
  753    HB   ILE  96           HB       ILE  96  -8.498   0.290  -7.485
  754   HG12  ILE  96          1HG1      ILE  96  -6.923   1.814  -6.327
  755   HG13  ILE  96          2HG1      ILE  96  -8.353   2.627  -6.931
  756   HG21  ILE  96          1HG2      ILE  96 -10.733  -0.144  -6.660
  757   HG22  ILE  96          2HG2      ILE  96 -10.440   0.765  -5.159
  758   HG23  ILE  96          3HG2      ILE  96 -10.577   1.610  -6.713
  759   HD11  ILE  96          3HD1      ILE  96  -7.587   3.299  -4.589
  760   HD12  ILE  96          1HD1      ILE  96  -9.298   2.842  -4.754
  761   HD13  ILE  96          2HD1      ILE  96  -8.150   1.692  -4.057
  762    H    ILE  97           H        ILE  97  -9.942  -1.719  -4.342
  763    HA   ILE  97           HA       ILE  97 -10.004  -4.231  -5.957
  764    HB   ILE  97           HB       ILE  97 -11.605  -3.486  -3.514
  765   HG12  ILE  97          1HG1      ILE  97 -10.102  -5.490  -2.611
  766   HG13  ILE  97          2HG1      ILE  97  -8.961  -4.907  -3.814
  767   HG21  ILE  97          1HG2      ILE  97 -12.817  -5.056  -4.820
  768   HG22  ILE  97          2HG2      ILE  97 -11.379  -6.092  -5.031
  769   HG23  ILE  97          3HG2      ILE  97 -12.149  -5.904  -3.433
  770   HD11  ILE  97          3HD1      ILE  97  -8.899  -3.996  -1.361
  771   HD12  ILE  97          1HD1      ILE  97  -8.708  -2.827  -2.687
  772   HD13  ILE  97          2HD1      ILE  97 -10.261  -2.989  -1.830
  773    H    ASP  98           H        ASP  98 -11.621  -4.785  -7.300
  774    HA   ASP  98           HA       ASP  98 -13.625  -2.719  -8.001
  775    HB2  ASP  98           1HB      ASP  98 -11.946  -3.505  -9.676
  776    HB3  ASP  98           2HB      ASP  98 -12.669  -5.112  -9.597
  777    H    ILE  99           H        ILE  99 -13.532  -5.785  -6.564
  778    HA   ILE  99           HA       ILE  99 -15.038  -7.013  -5.447
  779    HB   ILE  99           HB       ILE  99 -17.147  -5.006  -6.234
  780   HG12  ILE  99          1HG1      ILE  99 -15.260  -3.935  -4.987
  781   HG13  ILE  99          2HG1      ILE  99 -16.796  -3.884  -4.151
  782   HG21  ILE  99          1HG2      ILE  99 -18.237  -7.002  -5.491
  783   HG22  ILE  99          2HG2      ILE  99 -17.192  -7.116  -4.061
  784   HG23  ILE  99          3HG2      ILE  99 -18.356  -5.786  -4.223
  785   HD11  ILE  99          3HD1      ILE  99 -14.837  -4.391  -2.674
  786   HD12  ILE  99          1HD1      ILE  99 -16.119  -5.608  -2.590
  787   HD13  ILE  99          2HD1      ILE  99 -14.639  -5.943  -3.512
  788    HA   PRO 100           HA       PRO 100 -16.641  -9.640  -8.743
  789    HB2  PRO 100           1HB      PRO 100 -17.001 -11.944  -7.363
  790    HB3  PRO 100           2HB      PRO 100 -15.374 -11.278  -7.668
  791    HG2  PRO 100           1HG      PRO 100 -17.084 -10.971  -5.168
  792    HG3  PRO 100           2HG      PRO 100 -15.365 -11.471  -5.268
  793    HD2  PRO 100           1HD      PRO 100 -16.151  -8.873  -4.773
  794    HD3  PRO 100           2HD      PRO 100 -14.658  -9.270  -5.671
  795    H    LYS 101           H        LYS 101 -18.584 -10.931  -9.188
  796    HA   LYS 101           HA       LYS 101 -21.028  -9.661  -8.372
  797    HB2  LYS 101           1HB      LYS 101 -22.168 -11.395  -9.633
  798    HB3  LYS 101           2HB      LYS 101 -20.808 -10.722 -10.531
  799    HG2  LYS 101           1HG      LYS 101 -19.448 -12.733 -10.034
  800    HG3  LYS 101           2HG      LYS 101 -20.739 -13.377  -9.018
  801    HD2  LYS 101           1HD      LYS 101 -20.783 -14.490 -11.174
  802    HD3  LYS 101           2HD      LYS 101 -22.246 -13.548 -10.928
  803    HE2  LYS 101           1HE      LYS 101 -21.578 -13.269 -13.208
  804    HE3  LYS 101           2HE      LYS 101 -21.317 -11.734 -12.384
  805    HZ1  LYS 101           3HZ      LYS 101 -19.443 -12.342 -13.809
  806    HZ2  LYS 101           1HZ      LYS 101 -18.943 -12.294 -12.256
  807    HZ3  LYS 101           2HZ      LYS 101 -19.204 -13.734 -12.992
  808    H    LYS 102           H        LYS 102 -19.320 -12.387  -7.005
  809    HA   LYS 102           HA       LYS 102 -21.305 -13.448  -5.265
  810    HB2  LYS 102           1HB      LYS 102 -19.103 -14.447  -5.897
  811    HB3  LYS 102           2HB      LYS 102 -18.287 -13.251  -4.880
  812    HG2  LYS 102           1HG      LYS 102 -19.351 -14.188  -2.870
  813    HG3  LYS 102           2HG      LYS 102 -20.362 -15.246  -3.865
  814    HD2  LYS 102           1HD      LYS 102 -18.560 -16.527  -2.892
  815    HD3  LYS 102           2HD      LYS 102 -18.343 -16.452  -4.645
  816    HE2  LYS 102           1HE      LYS 102 -16.649 -14.652  -4.365
  817    HE3  LYS 102           2HE      LYS 102 -16.904 -14.674  -2.614
  818    HZ1  LYS 102           3HZ      LYS 102 -14.965 -15.985  -3.247
  819    HZ2  LYS 102           1HZ      LYS 102 -16.092 -16.968  -2.594
  820    HZ3  LYS 102           2HZ      LYS 102 -15.860 -16.950  -4.213
  821    H    GLY 103           H        GLY 103 -19.650 -10.392  -5.068
  822    HA2  GLY 103           1HA      GLY 103 -20.176  -9.882  -2.235
  823    HA3  GLY 103           2HA      GLY 103 -19.571  -8.741  -3.465
  824    H    VAL 104           H        VAL 104 -22.211  -9.803  -4.959
  825    HA   VAL 104           HA       VAL 104 -23.862  -7.522  -4.088
  826    HB   VAL 104           HB       VAL 104 -24.409  -9.596  -6.252
  827   HG11  VAL 104          1HG1      VAL 104 -26.507  -8.565  -5.459
  828   HG12  VAL 104          2HG1      VAL 104 -25.792  -6.946  -5.622
  829   HG13  VAL 104          3HG1      VAL 104 -26.090  -7.947  -7.060
  830   HG21  VAL 104          3HG2      VAL 104 -23.794  -7.778  -7.824
  831   HG22  VAL 104          1HG2      VAL 104 -23.355  -6.736  -6.453
  832   HG23  VAL 104          2HG2      VAL 104 -22.426  -8.210  -6.795
  833    H    SER 105           H        SER 105 -25.161  -7.695  -2.412
  834    HA   SER 105           HA       SER 105 -26.843 -10.059  -1.850
  835    HB2  SER 105           1HB      SER 105 -24.751  -9.012   0.110
  836    HB3  SER 105           2HB      SER 105 -26.003 -10.194   0.492
  837    HG   SER 105           HG       SER 105 -25.022 -11.636  -1.018
  838    H    GLY 106           H        GLY 106 -28.457  -9.646  -0.201
  839    HA2  GLY 106           1HA      GLY 106 -29.429  -6.891  -0.112
  840    HA3  GLY 106           2HA      GLY 106 -30.192  -8.315   0.619
  841    HA   PRO 107           HA       PRO 107 -27.928  -5.622   3.821
  842    HB2  PRO 107           1HB      PRO 107 -29.931  -4.140   4.911
  843    HB3  PRO 107           2HB      PRO 107 -29.111  -3.663   3.395
  844    HG2  PRO 107           1HG      PRO 107 -31.735  -5.169   3.690
  845    HG3  PRO 107           2HG      PRO 107 -31.402  -3.718   2.689
  846    HD2  PRO 107           1HD      PRO 107 -31.332  -6.240   1.644
  847    HD3  PRO 107           2HD      PRO 107 -30.188  -4.974   1.101
  848    H    SER 108           H        SER 108 -27.958  -5.926   6.126
  849    HA   SER 108           HA       SER 108 -29.132  -8.438   6.990
  850    HB2  SER 108           1HB      SER 108 -27.880  -7.924   9.086
  851    HB3  SER 108           2HB      SER 108 -26.889  -7.900   7.624
  852    HG   SER 108           HG       SER 108 -26.463  -6.095   9.010
  853    H    SER 109           H        SER 109 -30.530  -5.405   6.862
  854    HA   SER 109           HA       SER 109 -32.023  -5.499   9.393
  855    HB2  SER 109           1HB      SER 109 -33.062  -3.425   8.485
  856    HB3  SER 109           2HB      SER 109 -31.299  -3.359   8.579
  857    HG   SER 109           HG       SER 109 -32.130  -2.552   6.565
  858    H    GLY 110           H        GLY 110 -32.423  -7.091   6.439
  859    HA2  GLY 110           1HA      GLY 110 -34.965  -8.209   7.115
  860    HA3  GLY 110           2HA      GLY 110 -35.211  -6.952   5.904
  861   H5'1  ATP 201          H5"       ATP 111  10.682 -13.366   7.892
  862   H5'2  ATP 201          H5'       ATP 111  11.167 -13.042   6.222
  863    H4'  ATP 201           H4'      ATP 111   8.739 -14.671   7.082
  864    H3'  ATP 201           H3'      ATP 111  10.101 -14.891   4.624
  865   HO3'  ATP 201          H3T       ATP 111   8.369 -16.269   5.171
  866    H2'  ATP 201           H2'      ATP 111   9.765 -12.586   4.145
  867   HO2'  ATP 201          2HO       ATP 111   7.734 -14.183   2.973
  868    H1'  ATP 201           H1'      ATP 111   6.955 -13.066   5.225
  869    H8   ATP 201           8H       ATP 111   9.393 -10.394   3.899
  870   HN61  ATP 201          2H6       ATP 111   5.808  -6.999   3.219
  871   HN62  ATP 201          1H6       ATP 111   4.178  -6.950   3.904
  872    H2   ATP 201           2H       ATP 111   3.541 -10.211   6.548
  Start of MODEL    3
    1    HA   PRO   1           HA       PRO   1  20.073   3.494  -9.614
    2    HB2  PRO   1           1HB      PRO   1  19.622   3.579 -12.594
    3    HB3  PRO   1           2HB      PRO   1  20.697   4.575 -11.570
    4    HG2  PRO   1           1HG      PRO   1  21.316   2.105 -12.988
    5    HG3  PRO   1           2HG      PRO   1  22.423   3.042 -11.941
    6    HD2  PRO   1           1HD      PRO   1  21.540   0.516 -11.275
    7    HD3  PRO   1           2HD      PRO   1  21.948   1.768 -10.077
    8    H    SER   2           H        SER   2  18.497   5.312 -10.017
    9    HA   SER   2           HA       SER   2  15.792   4.766 -10.943
   10    HB2  SER   2           1HB      SER   2  16.396   4.962  -7.968
   11    HB3  SER   2           2HB      SER   2  14.833   5.436  -8.640
   12    HG   SER   2           HG       SER   2  15.960   2.875  -9.147
   13    H    SER   3           H        SER   3  14.575   6.700 -11.169
   14    HA   SER   3           HA       SER   3  15.492   9.293 -10.264
   15    HB2  SER   3           1HB      SER   3  16.071  10.192 -12.477
   16    HB3  SER   3           2HB      SER   3  17.193   8.928 -11.982
   17    HG   SER   3           HG       SER   3  16.543   8.694 -14.180
   18    H    GLY   4           H        GLY   4  14.186  11.076 -11.308
   19    HA2  GLY   4           1HA      GLY   4  12.224  11.973 -12.209
   20    HA3  GLY   4           2HA      GLY   4  11.649  10.343 -12.598
   21    H    SER   5           H        SER   5   9.594  11.093 -11.850
   22    HA   SER   5           HA       SER   5   9.053  12.062  -9.236
   23    HB2  SER   5           1HB      SER   5   7.198  10.594 -11.147
   24    HB3  SER   5           2HB      SER   5   6.714  11.630  -9.793
   25    HG   SER   5           HG       SER   5   6.667  12.755 -11.813
   26    H    SER   6           H        SER   6   8.166  11.118  -7.356
   27    HA   SER   6           HA       SER   6   8.830   8.324  -6.823
   28    HB2  SER   6           1HB      SER   6   7.923   8.956  -4.552
   29    HB3  SER   6           2HB      SER   6   9.295   9.919  -5.125
   30    HG   SER   6           HG       SER   6   7.608  11.229  -4.223
   31    H    GLY   7           H        GLY   7   5.982   9.939  -7.932
   32    HA2  GLY   7           1HA      GLY   7   4.054   7.956  -6.906
   33    HA3  GLY   7           2HA      GLY   7   3.709   9.348  -7.949
   34    H    PHE   8           H        PHE   8   2.462   7.030  -8.418
   35    HA   PHE   8           HA       PHE   8   3.727   5.350 -10.397
   36    HB2  PHE   8           1HB      PHE   8   0.798   5.746  -9.666
   37    HB3  PHE   8           2HB      PHE   8   1.419   4.469 -10.701
   38    HD1  PHE   8           1HD      PHE   8   2.914   2.680  -9.785
   39    HD2  PHE   8           2HD      PHE   8   1.010   5.587  -7.229
   40    HE1  PHE   8           1HE      PHE   8   3.423   1.276  -7.803
   41    HE2  PHE   8           2HE      PHE   8   1.545   4.192  -5.248
   42    HZ   PHE   8           HZ       PHE   8   2.776   2.051  -5.530
   43    H    LEU   9           H        LEU   9   3.108   5.116 -12.612
   44    HA   LEU   9           HA       LEU   9   3.341   7.561 -14.061
   45    HB2  LEU   9           1HB      LEU   9   4.348   5.415 -14.750
   46    HB3  LEU   9           2HB      LEU   9   2.744   4.711 -14.959
   47    HG   LEU   9           HG       LEU   9   2.281   6.300 -16.818
   48   HD11  LEU   9          1HD1      LEU   9   3.756   8.187 -16.207
   49   HD12  LEU   9          2HD1      LEU   9   5.189   7.160 -16.428
   50   HD13  LEU   9          3HD1      LEU   9   4.164   7.588 -17.815
   51   HD21  LEU   9          3HD2      LEU   9   3.792   5.243 -18.448
   52   HD22  LEU   9          1HD2      LEU   9   4.849   4.691 -17.130
   53   HD23  LEU   9          2HD2      LEU   9   3.193   4.062 -17.271
   54    H    ASP  10           H        ASP  10   1.914   8.844 -15.032
   55    HA   ASP  10           HA       ASP  10  -0.993   8.201 -15.083
   56    HB2  ASP  10           1HB      ASP  10   0.552  10.760 -15.621
   57    HB3  ASP  10           2HB      ASP  10  -1.188  10.579 -15.834
   58    H    LYS  11           H        LYS  11  -2.106   7.908 -16.964
   59    HA   LYS  11           HA       LYS  11  -0.703   8.003 -19.575
   60    HB2  LYS  11           1HB      LYS  11  -2.005   5.677 -18.127
   61    HB3  LYS  11           2HB      LYS  11  -2.059   5.721 -19.871
   62    HG2  LYS  11           1HG      LYS  11   0.659   6.316 -19.215
   63    HG3  LYS  11           2HG      LYS  11   0.170   5.024 -18.111
   64    HD2  LYS  11           1HD      LYS  11  -0.617   3.696 -20.087
   65    HD3  LYS  11           2HD      LYS  11  -0.088   5.023 -21.154
   66    HE2  LYS  11           1HE      LYS  11   2.241   4.759 -20.320
   67    HE3  LYS  11           2HE      LYS  11   1.717   3.446 -19.255
   68    HZ1  LYS  11           3HZ      LYS  11   2.667   2.589 -21.311
   69    HZ2  LYS  11           1HZ      LYS  11   1.089   2.179 -21.235
   70    HZ3  LYS  11           2HZ      LYS  11   1.575   3.392 -22.221
   71    HA   PRO  12           HA       PRO  12  -4.297   9.849 -21.160
   72    HB2  PRO  12           1HB      PRO  12  -4.356   9.094 -23.785
   73    HB3  PRO  12           2HB      PRO  12  -3.067  10.106 -23.087
   74    HG2  PRO  12           1HG      PRO  12  -3.078   7.103 -23.537
   75    HG3  PRO  12           2HG      PRO  12  -1.798   8.272 -24.009
   76    HD2  PRO  12           1HD      PRO  12  -1.671   6.787 -21.706
   77    HD3  PRO  12           2HD      PRO  12  -1.011   8.430 -21.786
   78    H    THR  13           H        THR  13  -6.291   9.506 -22.475
   79    HA   THR  13           HA       THR  13  -7.715   6.994 -22.432
   80    HB   THR  13           HB       THR  13  -7.600   7.493 -19.991
   81    HG1  THR  13           1HG      THR  13  -9.652   6.935 -19.726
   82   HG21  THR  13          3HG2      THR  13  -8.686   9.373 -19.026
   83   HG22  THR  13          1HG2      THR  13  -7.650  10.038 -20.279
   84   HG23  THR  13          2HG2      THR  13  -9.395   9.882 -20.579
   85    H    LEU  14           H        LEU  14 -10.022   7.314 -22.782
   86    HA   LEU  14           HA       LEU  14 -10.467   9.455 -24.831
   87    HB2  LEU  14           1HB      LEU  14 -11.820   6.746 -24.555
   88    HB3  LEU  14           2HB      LEU  14 -11.978   7.875 -25.886
   89    HG   LEU  14           HG       LEU  14  -9.145   7.309 -25.598
   90   HD11  LEU  14          1HD1      LEU  14  -9.811   5.296 -24.344
   91   HD12  LEU  14          2HD1      LEU  14 -10.847   4.786 -25.697
   92   HD13  LEU  14          3HD1      LEU  14  -9.084   4.888 -25.908
   93   HD21  LEU  14          3HD2      LEU  14  -9.378   6.428 -27.874
   94   HD22  LEU  14          1HD2      LEU  14 -11.147   6.374 -27.700
   95   HD23  LEU  14          2HD2      LEU  14 -10.292   7.936 -27.693
   96    H    LEU  15           H        LEU  15 -11.251   8.722 -21.685
   97    HA   LEU  15           HA       LEU  15 -14.089   9.558 -21.784
   98    HB2  LEU  15           1HB      LEU  15 -12.453   8.802 -19.345
   99    HB3  LEU  15           2HB      LEU  15 -14.199   8.881 -19.495
  100    HG   LEU  15           HG       LEU  15 -12.361   6.804 -20.759
  101   HD11  LEU  15          1HD1      LEU  15 -12.775   6.567 -18.327
  102   HD12  LEU  15          2HD1      LEU  15 -14.528   6.582 -18.626
  103   HD13  LEU  15          3HD1      LEU  15 -13.526   5.256 -19.254
  104   HD21  LEU  15          3HD2      LEU  15 -14.449   5.674 -21.513
  105   HD22  LEU  15          1HD2      LEU  15 -15.388   7.101 -21.019
  106   HD23  LEU  15          2HD2      LEU  15 -14.192   7.215 -22.333
  107    H    SER  16           H        SER  16 -14.536  10.796 -19.531
  108    HA   SER  16           HA       SER  16 -13.348  13.496 -19.832
  109    HB2  SER  16           1HB      SER  16 -15.997  12.326 -18.982
  110    HB3  SER  16           2HB      SER  16 -15.561  13.917 -18.483
  111    HG   SER  16           HG       SER  16 -16.736  13.906 -20.499
  112    HA   PRO  17           HA       PRO  17 -11.563  13.476 -15.793
  113    HB2  PRO  17           1HB      PRO  17 -12.186  15.957 -14.783
  114    HB3  PRO  17           2HB      PRO  17 -11.001  15.684 -16.098
  115    HG2  PRO  17           1HG      PRO  17 -13.930  16.457 -16.365
  116    HG3  PRO  17           2HG      PRO  17 -12.506  17.195 -17.177
  117    HD2  PRO  17           1HD      PRO  17 -14.022  15.359 -18.441
  118    HD3  PRO  17           2HD      PRO  17 -12.240  15.362 -18.621
  119    H    GLU  18           H        GLU  18 -15.013  14.126 -16.040
  120    HA   GLU  18           HA       GLU  18 -15.517  13.517 -13.218
  121    HB2  GLU  18           1HB      GLU  18 -17.853  13.932 -13.741
  122    HB3  GLU  18           2HB      GLU  18 -16.821  15.247 -14.292
  123    HG2  GLU  18           1HG      GLU  18 -16.945  14.394 -16.617
  124    HG3  GLU  18           2HG      GLU  18 -17.962  13.053 -16.081
  125    H    GLU  19           H        GLU  19 -15.023  11.552 -15.955
  126    HA   GLU  19           HA       GLU  19 -16.750   9.322 -15.054
  127    HB2  GLU  19           1HB      GLU  19 -14.846   9.770 -17.369
  128    HB3  GLU  19           2HB      GLU  19 -15.414   8.172 -16.966
  129    HG2  GLU  19           1HG      GLU  19 -17.191  10.552 -17.647
  130    HG3  GLU  19           2HG      GLU  19 -16.677   9.306 -18.784
  131    H    LEU  20           H        LEU  20 -13.329  10.023 -15.605
  132    HA   LEU  20           HA       LEU  20 -12.173   7.654 -14.583
  133    HB2  LEU  20           1HB      LEU  20 -11.042  10.479 -14.585
  134    HB3  LEU  20           2HB      LEU  20 -10.086   9.009 -14.541
  135    HG   LEU  20           HG       LEU  20 -11.952   9.497 -16.898
  136   HD11  LEU  20          1HD1      LEU  20 -10.682  11.558 -16.456
  137   HD12  LEU  20          2HD1      LEU  20  -9.164  10.650 -16.624
  138   HD13  LEU  20          3HD1      LEU  20 -10.284  10.803 -18.013
  139   HD21  LEU  20          3HD2      LEU  20 -10.380   8.137 -18.097
  140   HD22  LEU  20          1HD2      LEU  20  -9.253   8.108 -16.723
  141   HD23  LEU  20          2HD2      LEU  20 -10.825   7.281 -16.615
  142    H    LYS  21           H        LYS  21 -12.576  10.824 -12.985
  143    HA   LYS  21           HA       LYS  21 -11.743   9.960 -10.364
  144    HB2  LYS  21           1HB      LYS  21 -13.378  12.280 -11.398
  145    HB3  LYS  21           2HB      LYS  21 -13.309  11.972  -9.675
  146    HG2  LYS  21           1HG      LYS  21 -11.656  13.644 -10.432
  147    HG3  LYS  21           2HG      LYS  21 -10.971  12.287  -9.535
  148    HD2  LYS  21           1HD      LYS  21 -10.032  11.314 -11.551
  149    HD3  LYS  21           2HD      LYS  21 -10.941  12.427 -12.569
  150    HE2  LYS  21           1HE      LYS  21  -8.669  13.188 -12.508
  151    HE3  LYS  21           2HE      LYS  21  -9.668  14.347 -11.629
  152    HZ1  LYS  21           3HZ      LYS  21  -7.613  13.832 -10.443
  153    HZ2  LYS  21           1HZ      LYS  21  -8.889  13.338  -9.552
  154    HZ3  LYS  21           2HZ      LYS  21  -7.985  12.244 -10.371
  155    H    ALA  22           H        ALA  22 -14.963   9.755 -11.910
  156    HA   ALA  22           HA       ALA  22 -16.322   8.925  -9.488
  157    HB1  ALA  22           1HB      ALA  22 -17.536   9.994 -11.302
  158    HB2  ALA  22           2HB      ALA  22 -17.120   8.670 -12.418
  159    HB3  ALA  22           3HB      ALA  22 -18.179   8.369 -11.026
  160    H    ALA  23           H        ALA  23 -14.671   7.077 -12.071
  161    HA   ALA  23           HA       ALA  23 -15.483   4.477 -11.284
  162    HB1  ALA  23           1HB      ALA  23 -14.210   5.072 -13.362
  163    HB2  ALA  23           2HB      ALA  23 -12.764   5.361 -12.352
  164    HB3  ALA  23           3HB      ALA  23 -13.463   3.738 -12.452
  165    H    SER  24           H        SER  24 -13.065   6.595  -9.820
  166    HA   SER  24           HA       SER  24 -12.146   4.499  -7.947
  167    HB2  SER  24           1HB      SER  24 -10.591   6.129  -8.992
  168    HB3  SER  24           2HB      SER  24 -11.401   7.441  -8.116
  169    HG   SER  24           HG       SER  24  -9.523   6.642  -7.008
  170    H    ARG  25           H        ARG  25 -13.764   7.694  -7.703
  171    HA   ARG  25           HA       ARG  25 -14.243   7.652  -4.920
  172    HB2  ARG  25           1HB      ARG  25 -14.246   9.624  -6.428
  173    HB3  ARG  25           2HB      ARG  25 -15.784   9.098  -7.103
  174    HG2  ARG  25           1HG      ARG  25 -16.074  10.878  -5.473
  175    HG3  ARG  25           2HG      ARG  25 -16.896   9.418  -4.937
  176    HD2  ARG  25           1HD      ARG  25 -15.050   8.948  -3.355
  177    HD3  ARG  25           2HD      ARG  25 -14.164  10.360  -3.933
  178    HE   ARG  25           HE       ARG  25 -16.494  10.274  -2.147
  179   HH11  ARG  25          1HH1      ARG  25 -14.558  12.444  -4.170
  180   HH12  ARG  25          2HH1      ARG  25 -15.103  13.860  -3.321
  181   HH21  ARG  25          1HH2      ARG  25 -17.152  12.137  -1.106
  182   HH22  ARG  25          2HH2      ARG  25 -16.552  13.685  -1.616
  183    H    GLY  26           H        GLY  26 -16.162   6.309  -7.557
  184    HA2  GLY  26           1HA      GLY  26 -18.584   5.749  -6.104
  185    HA3  GLY  26           2HA      GLY  26 -18.050   5.006  -7.634
  186    H    ASN  27           H        ASN  27 -15.503   4.175  -6.036
  187    HA   ASN  27           HA       ASN  27 -16.656   1.794  -4.629
  188    HB2  ASN  27           1HB      ASN  27 -13.946   2.324  -5.903
  189    HB3  ASN  27           2HB      ASN  27 -14.239   0.989  -4.790
  190   HD21  ASN  27          2HD2      ASN  27 -13.985   1.531  -8.024
  191   HD22  ASN  27          1HD2      ASN  27 -15.006   0.195  -8.545
  192    H    GLY  28           H        GLY  28 -13.703   3.846  -4.220
  193    HA2  GLY  28           1HA      GLY  28 -13.030   5.140  -2.409
  194    HA3  GLY  28           2HA      GLY  28 -14.580   4.807  -1.597
  195    H    GLU  29           H        GLU  29 -13.112   1.955  -2.556
  196    HA   GLU  29           HA       GLU  29 -12.232   1.161   0.126
  197    HB2  GLU  29           1HB      GLU  29 -13.221  -0.145  -2.234
  198    HB3  GLU  29           2HB      GLU  29 -11.580  -0.659  -2.037
  199    HG2  GLU  29           1HG      GLU  29 -13.092  -2.190  -0.845
  200    HG3  GLU  29           2HG      GLU  29 -12.044  -1.365   0.303
  201    H    TYR  30           H        TYR  30 -10.099  -0.311  -0.079
  202    HA   TYR  30           HA       TYR  30  -7.958   0.596  -1.734
  203    HB2  TYR  30           1HB      TYR  30  -6.593   1.754  -0.142
  204    HB3  TYR  30           2HB      TYR  30  -8.115   2.604  -0.275
  205    HD1  TYR  30           1HD      TYR  30  -9.965   1.944   1.502
  206    HD2  TYR  30           2HD      TYR  30  -5.770   1.081   1.956
  207    HE1  TYR  30           1HE      TYR  30 -10.283   1.708   3.973
  208    HE2  TYR  30           2HE      TYR  30  -6.082   0.792   4.414
  209    HH   TYR  30           HH       TYR  30  -9.275   1.241   5.994
  210    H    ALA  31           H        ALA  31  -6.091  -0.573  -1.483
  211    HA   ALA  31           HA       ALA  31  -5.724  -2.470   0.740
  212    HB1  ALA  31           1HB      ALA  31  -6.983  -3.926  -0.612
  213    HB2  ALA  31           2HB      ALA  31  -6.339  -3.273  -2.128
  214    HB3  ALA  31           3HB      ALA  31  -5.326  -4.301  -1.076
  215    H    TRP  32           H        TRP  32  -3.626  -3.125   0.988
  216    HA   TRP  32           HA       TRP  32  -1.546  -1.761  -0.678
  217    HB2  TRP  32           1HB      TRP  32  -1.629  -2.524   2.254
  218    HB3  TRP  32           2HB      TRP  32  -0.123  -2.257   1.399
  219    HD1  TRP  32           HD       TRP  32  -3.303  -0.236   2.267
  220    HE1  TRP  32           1HE      TRP  32  -2.699   2.254   2.307
  221    HE3  TRP  32           3HE      TRP  32   1.554  -0.568   0.682
  222    HZ2  TRP  32           2HZ      TRP  32  -0.235   3.847   2.141
  223    HZ3  TRP  32           3HZ      TRP  32   2.959   1.478   0.548
  224    HH2  TRP  32           HH       TRP  32   2.074   3.647   1.298
  225    H    TYR  33           H        TYR  33   0.192  -2.920  -1.380
  226    HA   TYR  33           HA       TYR  33   0.204  -5.876  -1.039
  227    HB2  TYR  33           1HB      TYR  33   0.296  -4.378  -3.683
  228    HB3  TYR  33           2HB      TYR  33   0.617  -6.088  -3.488
  229    HD1  TYR  33           2HD      TYR  33  -2.062  -3.492  -3.154
  230    HD2  TYR  33           1HD      TYR  33  -1.120  -7.682  -3.599
  231    HE1  TYR  33           2HE      TYR  33  -4.474  -3.989  -3.495
  232    HE2  TYR  33           1HE      TYR  33  -3.537  -8.180  -3.932
  233    HH   TYR  33           HH       TYR  33  -6.038  -5.604  -3.970
  234    H    TYR  34           H        TYR  34   2.205  -6.888  -1.456
  235    HA   TYR  34           HA       TYR  34   4.565  -5.166  -2.022
  236    HB2  TYR  34           1HB      TYR  34   5.864  -6.153  -0.300
  237    HB3  TYR  34           2HB      TYR  34   4.402  -5.527   0.433
  238    HD1  TYR  34           2HD      TYR  34   2.564  -7.141   1.139
  239    HD2  TYR  34           1HD      TYR  34   6.447  -8.483  -0.180
  240    HE1  TYR  34           2HE      TYR  34   2.145  -9.356   2.175
  241    HE2  TYR  34           1HE      TYR  34   6.041 -10.695   0.878
  242    HH   TYR  34           HH       TYR  34   2.983 -11.465   2.589
  243    H    GLU  35           H        GLU  35   6.285  -6.231  -3.140
  244    HA   GLU  35           HA       GLU  35   5.506  -8.671  -4.602
  245    HB2  GLU  35           1HB      GLU  35   8.052  -7.014  -4.714
  246    HB3  GLU  35           2HB      GLU  35   7.738  -8.481  -5.654
  247    HG2  GLU  35           1HG      GLU  35   5.573  -7.273  -6.454
  248    HG3  GLU  35           2HG      GLU  35   6.348  -5.804  -5.846
  249    H    GLY  36           H        GLY  36   5.460 -10.439  -3.418
  250    HA2  GLY  36           1HA      GLY  36   7.616 -11.108  -1.452
  251    HA3  GLY  36           2HA      GLY  36   6.021 -11.839  -1.563
  252    H    ARG  37           H        ARG  37   6.499 -13.919  -1.799
  253    HA   ARG  37           HA       ARG  37   8.747 -15.053  -2.953
  254    HB2  ARG  37           1HB      ARG  37   7.453 -17.193  -2.887
  255    HB3  ARG  37           2HB      ARG  37   7.469 -16.274  -1.381
  256    HG2  ARG  37           1HG      ARG  37   5.192 -15.519  -1.708
  257    HG3  ARG  37           2HG      ARG  37   5.143 -16.174  -3.350
  258    HD2  ARG  37           1HD      ARG  37   5.366 -18.472  -2.448
  259    HD3  ARG  37           2HD      ARG  37   5.448 -17.818  -0.811
  260    HE   ARG  37           HE       ARG  37   3.171 -17.426  -0.810
  261   HH11  ARG  37          1HH1      ARG  37   4.065 -18.244  -4.149
  262   HH12  ARG  37          2HH1      ARG  37   2.400 -18.434  -4.624
  263   HH21  ARG  37          1HH2      ARG  37   1.067 -17.621  -1.523
  264   HH22  ARG  37          2HH2      ARG  37   0.735 -18.031  -3.178
  265    H    ASN  38           H        ASN  38   5.808 -14.240  -4.703
  266    HA   ASN  38           HA       ASN  38   6.997 -15.193  -7.243
  267    HB2  ASN  38           1HB      ASN  38   4.283 -16.099  -6.215
  268    HB3  ASN  38           2HB      ASN  38   4.867 -16.361  -7.850
  269   HD21  ASN  38          2HD2      ASN  38   6.711 -17.852  -8.158
  270   HD22  ASN  38          1HD2      ASN  38   6.981 -19.065  -6.918
  271    H    GLY  39           H        GLY  39   5.189 -12.791  -5.654
  272    HA2  GLY  39           1HA      GLY  39   4.990 -10.940  -7.734
  273    HA3  GLY  39           2HA      GLY  39   3.512 -11.878  -7.828
  274    H    TRP  40           H        TRP  40   2.481  -9.772  -7.340
  275    HA   TRP  40           HA       TRP  40   2.755  -8.470  -4.820
  276    HB2  TRP  40           1HB      TRP  40   0.481  -8.521  -6.836
  277    HB3  TRP  40           2HB      TRP  40   0.619  -7.399  -5.492
  278    HD1  TRP  40           HD       TRP  40   1.614  -7.825  -9.029
  279    HE1  TRP  40           1HE      TRP  40   3.180  -5.956  -9.796
  280    HE3  TRP  40           3HE      TRP  40   2.791  -5.847  -4.466
  281    HZ2  TRP  40           2HZ      TRP  40   4.654  -3.764  -8.587
  282    HZ3  TRP  40           3HZ      TRP  40   4.290  -3.889  -4.300
  283    HH2  TRP  40           HH       TRP  40   5.201  -2.813  -6.340
  284    H    TRP  41           H        TRP  41   2.122  -9.094  -2.885
  285    HA   TRP  41           HA       TRP  41  -0.319 -10.794  -2.547
  286    HB2  TRP  41           1HB      TRP  41   2.236 -10.807  -0.899
  287    HB3  TRP  41           2HB      TRP  41   0.778 -11.737  -0.550
  288    HD1  TRP  41           HD       TRP  41   3.993 -12.243  -2.002
  289    HE1  TRP  41           1HE      TRP  41   4.088 -14.176  -3.703
  290    HE3  TRP  41           3HE      TRP  41  -1.019 -12.942  -2.698
  291    HZ2  TRP  41           2HZ      TRP  41   2.222 -15.657  -5.325
  292    HZ3  TRP  41           3HZ      TRP  41  -1.840 -14.561  -4.350
  293    HH2  TRP  41           HH       TRP  41  -0.239 -15.943  -5.684
  294    H    GLN  42           H        GLN  42  -1.793 -10.143  -1.053
  295    HA   GLN  42           HA       GLN  42  -1.730  -7.301  -0.443
  296    HB2  GLN  42           1HB      GLN  42  -3.706  -8.704  -1.329
  297    HB3  GLN  42           2HB      GLN  42  -3.882  -9.302   0.323
  298    HG2  GLN  42           1HG      GLN  42  -4.102  -6.874   1.072
  299    HG3  GLN  42           2HG      GLN  42  -4.071  -6.407  -0.628
  300   HE21  GLN  42          2HE2      GLN  42  -5.981  -6.944  -1.977
  301   HE22  GLN  42          1HE2      GLN  42  -7.467  -7.444  -1.189
  302    H    TYR  43           H        TYR  43  -1.533  -6.304   1.513
  303    HA   TYR  43           HA       TYR  43  -0.575  -7.711   3.880
  304    HB2  TYR  43           1HB      TYR  43  -1.412  -4.876   3.233
  305    HB3  TYR  43           2HB      TYR  43  -1.032  -5.356   4.878
  306    HD1  TYR  43           1HD      TYR  43   1.259  -6.131   5.496
  307    HD2  TYR  43           2HD      TYR  43   0.350  -4.503   1.623
  308    HE1  TYR  43           1HE      TYR  43   3.655  -5.589   5.165
  309    HE2  TYR  43           2HE      TYR  43   2.744  -3.914   1.289
  310    HH   TYR  43           HH       TYR  43   5.208  -4.630   3.778
  311    H    ASP  44           H        ASP  44  -1.608  -7.647   5.985
  312    HA   ASP  44           HA       ASP  44  -4.445  -8.374   5.931
  313    HB2  ASP  44           1HB      ASP  44  -2.511  -9.320   7.406
  314    HB3  ASP  44           2HB      ASP  44  -2.821  -7.930   8.441
  315    H    GLU  45           H        GLU  45  -5.971  -7.371   7.503
  316    HA   GLU  45           HA       GLU  45  -6.202  -4.517   6.912
  317    HB2  GLU  45           1HB      GLU  45  -8.346  -4.651   8.088
  318    HB3  GLU  45           2HB      GLU  45  -8.186  -5.833   6.791
  319    HG2  GLU  45           1HG      GLU  45  -7.789  -7.633   8.401
  320    HG3  GLU  45           2HG      GLU  45  -7.763  -6.479   9.737
  321    H    ARG  46           H        ARG  46  -4.913  -6.334   9.568
  322    HA   ARG  46           HA       ARG  46  -4.995  -4.234  11.584
  323    HB2  ARG  46           1HB      ARG  46  -3.141  -6.638  11.263
  324    HB3  ARG  46           2HB      ARG  46  -3.088  -5.501  12.604
  325    HG2  ARG  46           1HG      ARG  46  -4.304  -7.242  13.453
  326    HG3  ARG  46           2HG      ARG  46  -5.539  -6.034  13.033
  327    HD2  ARG  46           1HD      ARG  46  -6.118  -7.296  11.021
  328    HD3  ARG  46           2HD      ARG  46  -4.744  -8.384  11.293
  329    HE   ARG  46           HE       ARG  46  -6.478  -8.472  13.553
  330   HH11  ARG  46          1HH1      ARG  46  -6.409  -9.513  10.164
  331   HH12  ARG  46          2HH1      ARG  46  -7.541 -10.809  10.446
  332   HH21  ARG  46          1HH2      ARG  46  -7.924 -10.178  13.849
  333   HH22  ARG  46          2HH2      ARG  46  -8.380 -11.182  12.506
  334    H    THR  47           H        THR  47  -2.792  -5.253   9.123
  335    HA   THR  47           HA       THR  47  -0.643  -3.385   9.809
  336    HB   THR  47           HB       THR  47  -0.817  -5.466   7.591
  337    HG1  THR  47           1HG      THR  47   0.343  -6.688   9.174
  338   HG21  THR  47          3HG2      THR  47   1.699  -5.396   7.852
  339   HG22  THR  47          1HG2      THR  47   0.999  -3.921   7.152
  340   HG23  THR  47          2HG2      THR  47   1.491  -3.936   8.855
  341    H    SER  48           H        SER  48  -2.658  -3.892   6.862
  342    HA   SER  48           HA       SER  48  -1.375  -1.865   5.332
  343    HB2  SER  48           1HB      SER  48  -3.347  -1.948   3.881
  344    HB3  SER  48           2HB      SER  48  -2.729  -3.553   4.274
  345    HG   SER  48           HG       SER  48  -4.442  -3.935   5.582
  346    H    ARG  49           H        ARG  49  -3.993  -1.553   7.694
  347    HA   ARG  49           HA       ARG  49  -4.696   1.122   7.026
  348    HB2  ARG  49           1HB      ARG  49  -5.908   1.209   9.016
  349    HB3  ARG  49           2HB      ARG  49  -5.998  -0.444   8.449
  350    HG2  ARG  49           1HG      ARG  49  -5.664  -0.750  10.707
  351    HG3  ARG  49           2HG      ARG  49  -4.057  -0.960  10.051
  352    HD2  ARG  49           1HD      ARG  49  -4.179   0.322  12.220
  353    HD3  ARG  49           2HD      ARG  49  -3.325   1.135  10.932
  354    HE   ARG  49           HE       ARG  49  -6.176   1.827  11.282
  355   HH11  ARG  49          1HH1      ARG  49  -2.837   2.824  12.044
  356   HH12  ARG  49          2HH1      ARG  49  -3.272   4.528  11.960
  357   HH21  ARG  49          1HH2      ARG  49  -6.627   4.047  11.373
  358   HH22  ARG  49          2HH2      ARG  49  -5.340   5.166  11.740
  359    H    GLU  50           H        GLU  50  -1.873  -0.131   8.756
  360    HA   GLU  50           HA       GLU  50  -1.221   2.410  10.052
  361    HB2  GLU  50           1HB      GLU  50   0.585   0.048   9.380
  362    HB3  GLU  50           2HB      GLU  50   0.997   1.379  10.443
  363    HG2  GLU  50           1HG      GLU  50  -1.345  -0.490  11.009
  364    HG3  GLU  50           2HG      GLU  50   0.299  -0.817  11.530
  365    H    LEU  51           H        LEU  51  -0.387   0.778   7.042
  366    HA   LEU  51           HA       LEU  51   1.546   2.662   6.041
  367    HB2  LEU  51           1HB      LEU  51  -0.233   0.750   4.476
  368    HB3  LEU  51           2HB      LEU  51   1.339   1.378   4.002
  369    HG   LEU  51           HG       LEU  51   0.825  -0.591   6.285
  370   HD11  LEU  51          1HD1      LEU  51   0.419  -1.542   4.059
  371   HD12  LEU  51          2HD1      LEU  51   2.052  -1.056   3.549
  372   HD13  LEU  51          3HD1      LEU  51   1.832  -2.254   4.850
  373   HD21  LEU  51          3HD2      LEU  51   3.305  -0.842   6.271
  374   HD22  LEU  51          1HD2      LEU  51   3.402   0.534   5.146
  375   HD23  LEU  51          2HD2      LEU  51   2.782   0.761   6.796
  376    H    GLU  52           H        GLU  52  -1.936   2.186   5.450
  377    HA   GLU  52           HA       GLU  52  -2.362   4.366   3.713
  378    HB2  GLU  52           1HB      GLU  52  -3.882   2.369   4.232
  379    HB3  GLU  52           2HB      GLU  52  -4.328   3.199   5.714
  380    HG2  GLU  52           1HG      GLU  52  -6.046   3.643   4.155
  381    HG3  GLU  52           2HG      GLU  52  -5.152   5.140   4.310
  382    H    ASP  53           H        ASP  53  -2.253   4.301   7.279
  383    HA   ASP  53           HA       ASP  53  -3.443   6.943   7.608
  384    HB2  ASP  53           1HB      ASP  53  -3.540   4.946   9.172
  385    HB3  ASP  53           2HB      ASP  53  -1.870   5.258   9.601
  386    H    ALA  54           H        ALA  54  -0.235   5.562   7.556
  387    HA   ALA  54           HA       ALA  54   1.304   7.640   8.638
  388    HB1  ALA  54           1HB      ALA  54   2.171   5.455   8.310
  389    HB2  ALA  54           2HB      ALA  54   1.927   5.531   6.551
  390    HB3  ALA  54           3HB      ALA  54   3.172   6.545   7.323
  391    H    PHE  55           H        PHE  55   0.609   7.263   5.085
  392    HA   PHE  55           HA       PHE  55   1.919   9.771   4.467
  393    HB2  PHE  55           1HB      PHE  55   1.192   9.509   2.273
  394    HB3  PHE  55           2HB      PHE  55   1.567   7.904   2.849
  395    HD1  PHE  55           1HD      PHE  55  -1.230  10.241   2.088
  396    HD2  PHE  55           2HD      PHE  55  -0.072   6.148   2.769
  397    HE1  PHE  55           1HE      PHE  55  -3.417   9.474   1.183
  398    HE2  PHE  55           2HE      PHE  55  -2.226   5.388   1.806
  399    HZ   PHE  55           HZ       PHE  55  -3.910   7.038   1.033
  400    H    SER  56           H        SER  56  -1.177   8.986   5.682
  401    HA   SER  56           HA       SER  56  -2.482  11.541   5.029
  402    HB2  SER  56           1HB      SER  56  -3.550   9.190   5.408
  403    HB3  SER  56           2HB      SER  56  -3.424   9.583   7.123
  404    HG   SER  56           HG       SER  56  -5.452  10.234   6.205
  405    H    LYS  57           H        LYS  57  -0.627  10.218   7.755
  406    HA   LYS  57           HA       LYS  57  -1.137  12.441   9.586
  407    HB2  LYS  57           1HB      LYS  57   0.865  10.164   9.456
  408    HB3  LYS  57           2HB      LYS  57   0.899  11.376  10.737
  409    HG2  LYS  57           1HG      LYS  57  -1.079  10.648  11.720
  410    HG3  LYS  57           2HG      LYS  57  -1.697   9.919  10.237
  411    HD2  LYS  57           1HD      LYS  57  -1.012   8.181  11.860
  412    HD3  LYS  57           2HD      LYS  57  -0.124   8.108  10.352
  413    HE2  LYS  57           1HE      LYS  57   1.630   7.828  11.778
  414    HE3  LYS  57           2HE      LYS  57   1.684   9.572  11.609
  415    HZ1  LYS  57           3HZ      LYS  57   1.783   8.960  13.952
  416    HZ2  LYS  57           1HZ      LYS  57   0.391   9.767  13.678
  417    HZ3  LYS  57           2HZ      LYS  57   0.371   8.143  13.860
  418    H    GLY  58           H        GLY  58   1.524  11.546   7.367
  419    HA2  GLY  58           1HA      GLY  58   2.488  13.490   6.094
  420    HA3  GLY  58           2HA      GLY  58   2.722  14.293   7.661
  421    H    LYS  59           H        LYS  59   3.384  11.130   8.388
  422    HA   LYS  59           HA       LYS  59   6.249  11.468   8.175
  423    HB2  LYS  59           1HB      LYS  59   6.306   9.049   8.915
  424    HB3  LYS  59           2HB      LYS  59   5.539  10.177  10.017
  425    HG2  LYS  59           1HG      LYS  59   3.341   9.429   9.479
  426    HG3  LYS  59           2HG      LYS  59   3.928   8.570   8.047
  427    HD2  LYS  59           1HD      LYS  59   3.350   7.046   9.916
  428    HD3  LYS  59           2HD      LYS  59   5.010   6.906   9.382
  429    HE2  LYS  59           1HE      LYS  59   5.772   8.287  11.303
  430    HE3  LYS  59           2HE      LYS  59   4.102   8.426  11.863
  431    HZ1  LYS  59           3HZ      LYS  59   5.261   6.640  13.016
  432    HZ2  LYS  59           1HZ      LYS  59   4.086   5.969  12.093
  433    HZ3  LYS  59           2HZ      LYS  59   5.639   5.894  11.614
  434    H    LYS  60           H        LYS  60   7.715  10.277   6.983
  435    HA   LYS  60           HA       LYS  60   6.791   9.580   4.237
  436    HB2  LYS  60           1HB      LYS  60   8.911  10.204   3.471
  437    HB3  LYS  60           2HB      LYS  60   8.437  11.421   4.651
  438    HG2  LYS  60           1HG      LYS  60   9.901  10.175   6.336
  439    HG3  LYS  60           2HG      LYS  60  10.490   9.207   4.969
  440    HD2  LYS  60           1HD      LYS  60  11.185  11.359   3.837
  441    HD3  LYS  60           2HD      LYS  60  10.658  12.238   5.266
  442    HE2  LYS  60           1HE      LYS  60  13.041  12.003   5.360
  443    HE3  LYS  60           2HE      LYS  60  12.337  11.031   6.653
  444    HZ1  LYS  60           3HZ      LYS  60  14.145   9.921   5.347
  445    HZ2  LYS  60           1HZ      LYS  60  12.759   9.056   5.358
  446    HZ3  LYS  60           2HZ      LYS  60  13.169   9.904   4.025
  447    H    ASN  61           H        ASN  61   7.310   7.872   6.950
  448    HA   ASN  61           HA       ASN  61   7.414   5.356   5.683
  449    HB2  ASN  61           1HB      ASN  61   9.542   4.465   6.483
  450    HB3  ASN  61           2HB      ASN  61   9.859   5.824   5.420
  451   HD21  ASN  61          2HD2      ASN  61  10.273   7.927   6.475
  452   HD22  ASN  61          1HD2      ASN  61  11.111   7.960   8.019
  453    H    THR  62           H        THR  62   7.156   3.641   7.207
  454    HA   THR  62           HA       THR  62   6.596   4.331  10.028
  455    HB   THR  62           HB       THR  62   4.567   4.887   8.632
  456    HG1  THR  62           1HG      THR  62   3.278   3.843  10.297
  457   HG21  THR  62          3HG2      THR  62   3.047   3.058   8.082
  458   HG22  THR  62          1HG2      THR  62   4.559   2.837   7.187
  459   HG23  THR  62          2HG2      THR  62   4.222   1.846   8.623
  460    H    GLU  63           H        GLU  63   5.671   2.267  11.157
  461    HA   GLU  63           HA       GLU  63   7.495   0.005  10.421
  462    HB2  GLU  63           1HB      GLU  63   6.954   1.344  13.098
  463    HB3  GLU  63           2HB      GLU  63   7.676  -0.263  12.951
  464    HG2  GLU  63           1HG      GLU  63   9.491   0.622  11.579
  465    HG3  GLU  63           2HG      GLU  63   8.822   2.250  11.665
  466    H    MET  64           H        MET  64   6.850  -2.022  10.768
  467    HA   MET  64           HA       MET  64   4.161  -2.646  11.836
  468    HB2  MET  64           1HB      MET  64   3.632  -3.877   9.702
  469    HB3  MET  64           2HB      MET  64   3.609  -2.119   9.575
  470    HG2  MET  64           1HG      MET  64   5.801  -2.106   8.513
  471    HG3  MET  64           2HG      MET  64   5.998  -3.835   8.802
  472    HE1  MET  64           3HE      MET  64   6.044  -3.547   5.045
  473    HE2  MET  64           1HE      MET  64   6.942  -3.203   6.523
  474    HE3  MET  64           2HE      MET  64   6.346  -4.855   6.218
  475    H    LEU  65           H        LEU  65   3.807  -4.759  12.317
  476    HA   LEU  65           HA       LEU  65   6.189  -6.507  12.555
  477    HB2  LEU  65           1HB      LEU  65   4.409  -5.591  14.505
  478    HB3  LEU  65           2HB      LEU  65   3.713  -7.138  14.096
  479    HG   LEU  65           HG       LEU  65   5.150  -7.318  15.995
  480   HD11  LEU  65          1HD1      LEU  65   5.124  -9.275  14.521
  481   HD12  LEU  65          2HD1      LEU  65   6.596  -8.681  13.717
  482   HD13  LEU  65          3HD1      LEU  65   6.638  -9.119  15.427
  483   HD21  LEU  65          3HD2      LEU  65   7.503  -6.766  16.012
  484   HD22  LEU  65          1HD2      LEU  65   7.471  -6.365  14.284
  485   HD23  LEU  65          2HD2      LEU  65   6.574  -5.360  15.439
  486    H    ILE  66           H        ILE  66   6.148  -8.494  11.838
  487    HA   ILE  66           HA       ILE  66   3.783  -9.465  10.226
  488    HB   ILE  66           HB       ILE  66   5.210 -10.383   8.600
  489   HG12  ILE  66          1HG1      ILE  66   7.759  -9.141   9.266
  490   HG13  ILE  66          2HG1      ILE  66   7.290 -10.190  10.575
  491   HG21  ILE  66          1HG2      ILE  66   4.434  -8.024   8.436
  492   HG22  ILE  66          2HG2      ILE  66   6.001  -7.482   9.064
  493   HG23  ILE  66          3HG2      ILE  66   5.905  -8.371   7.527
  494   HD11  ILE  66          3HD1      ILE  66   8.671 -11.276   8.734
  495   HD12  ILE  66          1HD1      ILE  66   7.203 -12.133   9.197
  496   HD13  ILE  66          2HD1      ILE  66   7.229 -11.180   7.709
  497    H    ALA  67           H        ALA  67   5.089 -12.023   9.643
  498    HA   ALA  67           HA       ALA  67   4.077 -13.635  11.702
  499    HB1  ALA  67           1HB      ALA  67   4.452 -14.285   9.322
  500    HB2  ALA  67           2HB      ALA  67   6.213 -14.222   9.593
  501    HB3  ALA  67           3HB      ALA  67   5.224 -15.432  10.437
  502    H    GLY  68           H        GLY  68   7.141 -12.008  11.726
  503    HA2  GLY  68           1HA      GLY  68   7.786 -12.883  14.362
  504    HA3  GLY  68           2HA      GLY  68   8.739 -13.817  13.228
  505    H    PHE  69           H        PHE  69   8.094 -10.498  12.284
  506    HA   PHE  69           HA       PHE  69  10.759  -9.549  13.144
  507    HB2  PHE  69           1HB      PHE  69   9.977  -9.944  10.223
  508    HB3  PHE  69           2HB      PHE  69  11.380  -9.061  10.771
  509    HD1  PHE  69           1HD      PHE  69  13.330 -10.208  11.765
  510    HD2  PHE  69           2HD      PHE  69   9.960 -12.420  10.227
  511    HE1  PHE  69           1HE      PHE  69  14.703 -12.274  11.715
  512    HE2  PHE  69           2HE      PHE  69  11.336 -14.480  10.175
  513    HZ   PHE  69           HZ       PHE  69  13.710 -14.414  10.921
  514    H    LEU  70           H        LEU  70  11.109  -7.344  12.839
  515    HA   LEU  70           HA       LEU  70   8.724  -5.627  12.367
  516    HB2  LEU  70           1HB      LEU  70  10.326  -5.398  14.405
  517    HB3  LEU  70           2HB      LEU  70  11.511  -4.818  13.250
  518    HG   LEU  70           HG       LEU  70  10.598  -2.958  14.367
  519   HD11  LEU  70          1HD1      LEU  70  10.868  -2.695  11.842
  520   HD12  LEU  70          2HD1      LEU  70   9.088  -2.797  11.761
  521   HD13  LEU  70          3HD1      LEU  70   9.858  -1.509  12.680
  522   HD21  LEU  70          3HD2      LEU  70   8.183  -2.383  14.378
  523   HD22  LEU  70          1HD2      LEU  70   7.815  -3.934  13.596
  524   HD23  LEU  70          2HD2      LEU  70   8.525  -3.904  15.223
  525    H    TYR  71           H        TYR  71   8.471  -4.734  10.467
  526    HA   TYR  71           HA       TYR  71  10.820  -4.220   8.691
  527    HB2  TYR  71           1HB      TYR  71   8.017  -4.958   7.844
  528    HB3  TYR  71           2HB      TYR  71   9.300  -4.440   6.752
  529    HD1  TYR  71           2HD      TYR  71  11.623  -6.081   7.987
  530    HD2  TYR  71           1HD      TYR  71   7.572  -7.096   6.919
  531    HE1  TYR  71           2HE      TYR  71  12.266  -8.471   7.748
  532    HE2  TYR  71           1HE      TYR  71   8.199  -9.464   6.746
  533    HH   TYR  71           HH       TYR  71   9.972 -11.017   6.805
  534    H    VAL  72           H        VAL  72  11.045  -2.299   7.846
  535    HA   VAL  72           HA       VAL  72   9.284  -0.063   8.712
  536    HB   VAL  72           HB       VAL  72  11.993   0.042   7.333
  537   HG11  VAL  72          1HG1      VAL  72  10.630   2.087   6.996
  538   HG12  VAL  72          2HG1      VAL  72  10.378   2.213   8.751
  539   HG13  VAL  72          3HG1      VAL  72  12.003   2.413   8.061
  540   HG21  VAL  72          3HG2      VAL  72  12.931   0.705   9.522
  541   HG22  VAL  72          1HG2      VAL  72  11.375   0.341  10.293
  542   HG23  VAL  72          2HG2      VAL  72  12.325  -0.954   9.527
  543    H    ALA  73           H        ALA  73   7.850   0.668   7.248
  544    HA   ALA  73           HA       ALA  73   8.095  -0.053   4.352
  545    HB1  ALA  73           1HB      ALA  73   6.057  -0.849   5.481
  546    HB2  ALA  73           2HB      ALA  73   5.704   0.807   6.027
  547    HB3  ALA  73           3HB      ALA  73   5.675   0.411   4.291
  548    H    ASP  74           H        ASP  74   8.801   1.481   3.075
  549    HA   ASP  74           HA       ASP  74   8.961   4.302   3.976
  550    HB2  ASP  74           1HB      ASP  74  11.058   3.132   3.550
  551    HB3  ASP  74           2HB      ASP  74  10.519   2.683   1.933
  552    H    LEU  75           H        LEU  75   7.554   5.674   3.178
  553    HA   LEU  75           HA       LEU  75   5.919   5.169   0.823
  554    HB2  LEU  75           1HB      LEU  75   6.194   7.435   2.840
  555    HB3  LEU  75           2HB      LEU  75   5.145   7.572   1.460
  556    HG   LEU  75           HG       LEU  75   4.792   5.194   3.326
  557   HD11  LEU  75          1HD1      LEU  75   4.731   7.093   4.848
  558   HD12  LEU  75          2HD1      LEU  75   3.695   8.011   3.735
  559   HD13  LEU  75          3HD1      LEU  75   3.070   6.553   4.531
  560   HD21  LEU  75          3HD2      LEU  75   2.468   5.440   2.516
  561   HD22  LEU  75          1HD2      LEU  75   2.983   6.774   1.462
  562   HD23  LEU  75          2HD2      LEU  75   3.647   5.148   1.213
  563    H    GLU  76           H        GLU  76   8.970   6.808   1.359
  564    HA   GLU  76           HA       GLU  76   8.783   8.748  -0.745
  565    HB2  GLU  76           1HB      GLU  76  11.276   7.393   0.376
  566    HB3  GLU  76           2HB      GLU  76  11.224   8.801  -0.664
  567    HG2  GLU  76           1HG      GLU  76   9.770   9.827   1.264
  568    HG3  GLU  76           2HG      GLU  76  10.417   8.516   2.238
  569    H    ASN  77           H        ASN  77  10.335   5.539  -0.672
  570    HA   ASN  77           HA       ASN  77  10.705   5.529  -3.622
  571    HB2  ASN  77           1HB      ASN  77  11.822   3.755  -1.410
  572    HB3  ASN  77           2HB      ASN  77  12.263   3.679  -3.112
  573   HD21  ASN  77          2HD2      ASN  77  12.386   5.811  -0.196
  574   HD22  ASN  77          1HD2      ASN  77  13.826   6.670  -0.745
  575    H    MET  78           H        MET  78   8.500   4.440  -1.379
  576    HA   MET  78           HA       MET  78   6.917   2.808  -1.160
  577    HB2  MET  78           1HB      MET  78   7.062   2.544  -4.173
  578    HB3  MET  78           2HB      MET  78   5.794   1.936  -3.099
  579    HG2  MET  78           1HG      MET  78   6.182   4.800  -2.666
  580    HG3  MET  78           2HG      MET  78   5.955   4.459  -4.370
  581    HE1  MET  78           3HE      MET  78   2.904   3.675  -1.007
  582    HE2  MET  78           1HE      MET  78   4.451   2.804  -1.067
  583    HE3  MET  78           2HE      MET  78   4.429   4.573  -0.855
  584    H    VAL  79           H        VAL  79   8.864   1.780  -0.105
  585    HA   VAL  79           HA       VAL  79   9.066  -1.018  -1.075
  586    HB   VAL  79           HB       VAL  79  11.490  -1.192  -0.597
  587   HG11  VAL  79          1HG1      VAL  79  10.745  -0.834  -2.927
  588   HG12  VAL  79          2HG1      VAL  79  10.965   0.919  -2.716
  589   HG13  VAL  79          3HG1      VAL  79  12.355  -0.178  -2.599
  590   HG21  VAL  79          3HG2      VAL  79  12.880   0.845  -0.400
  591   HG22  VAL  79          1HG2      VAL  79  11.413   1.828  -0.263
  592   HG23  VAL  79          2HG2      VAL  79  11.800   0.613   0.974
  593    H    GLN  80           H        GLN  80  10.091  -2.467   0.660
  594    HA   GLN  80           HA       GLN  80   9.924  -1.376   3.386
  595    HB2  GLN  80           1HB      GLN  80   8.404  -3.085   4.186
  596    HB3  GLN  80           2HB      GLN  80   7.669  -2.170   2.889
  597    HG2  GLN  80           1HG      GLN  80   7.061  -4.232   2.174
  598    HG3  GLN  80           2HG      GLN  80   8.589  -4.156   1.341
  599   HE21  GLN  80          2HE2      GLN  80   7.884  -6.594   1.433
  600   HE22  GLN  80          1HE2      GLN  80   8.465  -7.498   2.836
  601    H    TYR  81           H        TYR  81  11.173  -2.353   4.898
  602    HA   TYR  81           HA       TYR  81  12.945  -4.618   4.256
  603    HB2  TYR  81           1HB      TYR  81  14.963  -3.103   4.517
  604    HB3  TYR  81           2HB      TYR  81  14.068  -2.994   3.029
  605    HD1  TYR  81           2HD      TYR  81  14.265  -1.249   6.384
  606    HD2  TYR  81           1HD      TYR  81  13.579  -0.916   2.142
  607    HE1  TYR  81           2HE      TYR  81  14.167   1.214   6.595
  608    HE2  TYR  81           1HE      TYR  81  13.554   1.535   2.320
  609    HH   TYR  81           HH       TYR  81  13.682   3.364   3.756
  610    H    ARG  82           H        ARG  82  14.625  -4.966   5.992
  611    HA   ARG  82           HA       ARG  82  13.525  -4.690   8.698
  612    HB2  ARG  82           1HB      ARG  82  16.175  -5.754   7.620
  613    HB3  ARG  82           2HB      ARG  82  15.780  -5.686   9.343
  614    HG2  ARG  82           1HG      ARG  82  13.756  -7.059   8.954
  615    HG3  ARG  82           2HG      ARG  82  14.189  -7.210   7.242
  616    HD2  ARG  82           1HD      ARG  82  15.852  -8.175   9.609
  617    HD3  ARG  82           2HD      ARG  82  14.839  -9.201   8.599
  618    HE   ARG  82           HE       ARG  82  17.485  -8.112   7.984
  619   HH11  ARG  82          1HH1      ARG  82  14.564  -9.400   6.423
  620   HH12  ARG  82          2HH1      ARG  82  15.421  -9.818   4.962
  621   HH21  ARG  82          1HH2      ARG  82  18.529  -8.845   6.165
  622   HH22  ARG  82          2HH2      ARG  82  17.653  -9.691   4.902
  623    H    ARG  83           H        ARG  83  14.233  -3.375  10.347
  624    HA   ARG  83           HA       ARG  83  14.968  -0.749   9.936
  625    HB2  ARG  83           1HB      ARG  83  15.425  -2.561  12.338
  626    HB3  ARG  83           2HB      ARG  83  15.828  -0.843  12.362
  627    HG2  ARG  83           1HG      ARG  83  13.517  -0.213  11.915
  628    HG3  ARG  83           2HG      ARG  83  13.043  -1.912  11.763
  629    HD2  ARG  83           1HD      ARG  83  12.424  -0.996  13.974
  630    HD3  ARG  83           2HD      ARG  83  13.530  -2.356  14.084
  631    HE   ARG  83           HE       ARG  83  15.229  -0.990  14.885
  632   HH11  ARG  83          1HH1      ARG  83  12.398   1.081  14.223
  633   HH12  ARG  83          2HH1      ARG  83  13.188   2.466  14.914
  634   HH21  ARG  83          1HH2      ARG  83  16.115   0.833  15.797
  635   HH22  ARG  83          2HH2      ARG  83  15.221   2.321  15.828
  636    H    ASN  84           H        ASN  84  17.290  -3.409  10.471
  637    HA   ASN  84           HA       ASN  84  19.569  -1.523  10.296
  638    HB2  ASN  84           1HB      ASN  84  19.376  -4.425  11.138
  639    HB3  ASN  84           2HB      ASN  84  20.881  -3.510  11.058
  640   HD21  ASN  84          2HD2      ASN  84  18.389  -4.393  13.150
  641   HD22  ASN  84          1HD2      ASN  84  18.636  -3.138  14.353
  642    H    GLU  85           H        GLU  85  17.875  -3.385   8.015
  643    HA   GLU  85           HA       GLU  85  20.272  -3.511   6.241
  644    HB2  GLU  85           1HB      GLU  85  18.142  -5.667   6.466
  645    HB3  GLU  85           2HB      GLU  85  19.241  -5.457   5.103
  646    HG2  GLU  85           1HG      GLU  85  20.385  -6.997   6.281
  647    HG3  GLU  85           2HG      GLU  85  21.155  -5.489   6.786
  648    H    HIS  86           H        HIS  86  19.628  -1.418   5.712
  649    HA   HIS  86           HA       HIS  86  17.241  -0.876   4.160
  650    HB2  HIS  86           1HB      HIS  86  19.930   0.540   4.361
  651    HB3  HIS  86           2HB      HIS  86  18.545   1.156   3.459
  652    HD2  HIS  86           2HD      HIS  86  19.463   0.229   7.142
  653    HE1  HIS  86           1HE      HIS  86  16.262   3.025   7.278
  654    HE2  HIS  86           2HE      HIS  86  17.879   1.635   8.683
  655    H    GLY  87           H        GLY  87  20.079  -2.638   3.437
  656    HA2  GLY  87           1HA      GLY  87  19.898  -2.414   0.487
  657    HA3  GLY  87           2HA      GLY  87  21.053  -3.387   1.432
  658    H    ARG  88           H        ARG  88  18.207  -4.216   2.836
  659    HA   ARG  88           HA       ARG  88  17.535  -6.344   0.835
  660    HB2  ARG  88           1HB      ARG  88  17.635  -6.575   3.866
  661    HB3  ARG  88           2HB      ARG  88  16.939  -7.783   2.792
  662    HG2  ARG  88           1HG      ARG  88  19.851  -6.870   2.777
  663    HG3  ARG  88           2HG      ARG  88  19.251  -8.372   3.462
  664    HD2  ARG  88           1HD      ARG  88  19.116  -7.590   0.514
  665    HD3  ARG  88           2HD      ARG  88  20.280  -8.669   1.221
  666    HE   ARG  88           HE       ARG  88  18.036  -9.942   1.982
  667   HH11  ARG  88          1HH1      ARG  88  19.058  -8.766  -1.207
  668   HH12  ARG  88          2HH1      ARG  88  18.064  -9.913  -2.052
  669   HH21  ARG  88          1HH2      ARG  88  16.646 -11.320   0.796
  670   HH22  ARG  88          2HH2      ARG  88  16.775 -11.353  -0.934
  671    H    ARG  89           H        ARG  89  16.071  -5.237  -0.120
  672    HA   ARG  89           HA       ARG  89  13.598  -4.484   1.363
  673    HB2  ARG  89           1HB      ARG  89  13.423  -2.382   0.274
  674    HB3  ARG  89           2HB      ARG  89  14.986  -2.489   1.068
  675    HG2  ARG  89           1HG      ARG  89  15.994  -3.076  -1.200
  676    HG3  ARG  89           2HG      ARG  89  14.407  -2.653  -1.898
  677    HD2  ARG  89           1HD      ARG  89  14.599  -0.403  -0.839
  678    HD3  ARG  89           2HD      ARG  89  16.218  -0.837  -0.261
  679    HE   ARG  89           HE       ARG  89  16.114  -1.285  -3.063
  680   HH11  ARG  89          1HH1      ARG  89  16.127   1.473  -0.846
  681   HH12  ARG  89          2HH1      ARG  89  16.777   2.550  -2.045
  682   HH21  ARG  89          1HH2      ARG  89  16.965   0.156  -4.558
  683   HH22  ARG  89          2HH2      ARG  89  17.254   1.809  -4.112
  684    H    ARG  90           H        ARG  90  11.693  -4.464   0.329
  685    HA   ARG  90           HA       ARG  90  11.456  -5.759  -2.376
  686    HB2  ARG  90           1HB      ARG  90   9.840  -6.173   0.172
  687    HB3  ARG  90           2HB      ARG  90   9.281  -6.689  -1.424
  688    HG2  ARG  90           1HG      ARG  90  11.220  -8.158  -1.683
  689    HG3  ARG  90           2HG      ARG  90  11.862  -7.649  -0.110
  690    HD2  ARG  90           1HD      ARG  90   9.976  -8.599   1.068
  691    HD3  ARG  90           2HD      ARG  90   9.117  -8.944  -0.431
  692    HE   ARG  90           HE       ARG  90  11.224 -10.533   0.813
  693   HH11  ARG  90          1HH1      ARG  90   9.662  -9.972  -2.342
  694   HH12  ARG  90          2HH1      ARG  90  10.310 -11.457  -2.977
  695   HH21  ARG  90          1HH2      ARG  90  11.893 -12.296   0.041
  696   HH22  ARG  90          2HH2      ARG  90  11.598 -12.827  -1.620
  697    H    LYS  91           H        LYS  91  10.007  -4.831  -3.761
  698    HA   LYS  91           HA       LYS  91   9.053  -2.151  -3.362
  699    HB2  LYS  91           1HB      LYS  91   8.925  -4.290  -5.441
  700    HB3  LYS  91           2HB      LYS  91   7.554  -3.215  -5.446
  701    HG2  LYS  91           1HG      LYS  91  10.420  -2.207  -5.526
  702    HG3  LYS  91           2HG      LYS  91   9.495  -2.589  -6.979
  703    HD2  LYS  91           1HD      LYS  91   8.611  -0.566  -4.897
  704    HD3  LYS  91           2HD      LYS  91   9.497  -0.141  -6.353
  705    HE2  LYS  91           1HE      LYS  91   7.715  -0.630  -7.778
  706    HE3  LYS  91           2HE      LYS  91   6.936  -1.719  -6.636
  707    HZ1  LYS  91           3HZ      LYS  91   5.799   0.444  -6.853
  708    HZ2  LYS  91           1HZ      LYS  91   6.227   0.132  -5.312
  709    HZ3  LYS  91           2HZ      LYS  91   7.098   1.206  -6.216
  710    H    ILE  92           H        ILE  92   7.092  -1.288  -2.871
  711    HA   ILE  92           HA       ILE  92   4.784  -3.114  -2.375
  712    HB   ILE  92           HB       ILE  92   4.042  -1.963  -0.465
  713   HG12  ILE  92          1HG1      ILE  92   6.307  -0.030  -0.909
  714   HG13  ILE  92          2HG1      ILE  92   4.582   0.299  -1.035
  715   HG21  ILE  92          1HG2      ILE  92   5.843  -3.702  -0.179
  716   HG22  ILE  92          2HG2      ILE  92   7.015  -2.382   0.000
  717   HG23  ILE  92          3HG2      ILE  92   5.675  -2.561   1.157
  718   HD11  ILE  92          3HD1      ILE  92   5.401   1.254   0.996
  719   HD12  ILE  92          1HD1      ILE  92   4.410  -0.160   1.448
  720   HD13  ILE  92          2HD1      ILE  92   6.187  -0.254   1.489
  721    H    LYS  93           H        LYS  93   2.682  -1.964  -2.422
  722    HA   LYS  93           HA       LYS  93   2.530   0.582  -3.815
  723    HB2  LYS  93           1HB      LYS  93   1.373  -0.131  -5.784
  724    HB3  LYS  93           2HB      LYS  93   2.864  -1.061  -5.715
  725    HG2  LYS  93           1HG      LYS  93   1.676  -3.045  -4.982
  726    HG3  LYS  93           2HG      LYS  93   0.183  -2.146  -4.715
  727    HD2  LYS  93           1HD      LYS  93  -0.018  -1.647  -7.099
  728    HD3  LYS  93           2HD      LYS  93   1.458  -2.587  -7.435
  729    HE2  LYS  93           1HE      LYS  93   0.440  -4.634  -6.719
  730    HE3  LYS  93           2HE      LYS  93  -0.902  -3.790  -5.929
  731    HZ1  LYS  93           3HZ      LYS  93  -1.513  -4.782  -8.087
  732    HZ2  LYS  93           1HZ      LYS  93  -1.795  -3.178  -8.039
  733    HZ3  LYS  93           2HZ      LYS  93  -0.493  -3.765  -8.861
  734    H    ARG  94           H        ARG  94   0.287   1.254  -4.242
  735    HA   ARG  94           HA       ARG  94  -1.741   0.159  -2.326
  736    HB2  ARG  94           1HB      ARG  94  -1.443   2.933  -3.558
  737    HB3  ARG  94           2HB      ARG  94  -2.908   2.355  -2.746
  738    HG2  ARG  94           1HG      ARG  94  -1.636   1.964  -0.672
  739    HG3  ARG  94           2HG      ARG  94  -0.163   2.565  -1.451
  740    HD2  ARG  94           1HD      ARG  94  -1.038   4.351  -0.133
  741    HD3  ARG  94           2HD      ARG  94  -1.306   4.778  -1.812
  742    HE   ARG  94           HE       ARG  94  -3.340   3.954   0.227
  743   HH11  ARG  94          1HH1      ARG  94  -2.849   5.101  -3.108
  744   HH12  ARG  94          2HH1      ARG  94  -4.520   5.549  -3.265
  745   HH21  ARG  94          1HH2      ARG  94  -5.370   4.694   0.001
  746   HH22  ARG  94          2HH2      ARG  94  -5.950   5.275  -1.544
  747    H    ASP  95           H        ASP  95  -3.792  -0.244  -3.138
  748    HA   ASP  95           HA       ASP  95  -4.485   0.315  -5.929
  749    HB2  ASP  95           1HB      ASP  95  -3.420  -2.232  -5.331
  750    HB3  ASP  95           2HB      ASP  95  -5.174  -2.464  -5.294
  751    H    ILE  96           H        ILE  96  -6.802  -0.746  -6.292
  752    HA   ILE  96           HA       ILE  96  -8.533  -0.032  -3.940
  753    HB   ILE  96           HB       ILE  96  -8.930   0.785  -6.830
  754   HG12  ILE  96          1HG1      ILE  96  -7.116   2.102  -5.781
  755   HG13  ILE  96          2HG1      ILE  96  -8.516   3.073  -6.195
  756   HG21  ILE  96          1HG2      ILE  96 -11.107   0.507  -5.792
  757   HG22  ILE  96          2HG2      ILE  96 -10.585   1.317  -4.299
  758   HG23  ILE  96          3HG2      ILE  96 -10.797   2.242  -5.796
  759   HD11  ILE  96          3HD1      ILE  96  -7.458   3.553  -3.924
  760   HD12  ILE  96          1HD1      ILE  96  -9.211   3.260  -3.926
  761   HD13  ILE  96          2HD1      ILE  96  -8.111   1.980  -3.398
  762    H    ILE  97           H        ILE  97 -10.225  -1.247  -3.629
  763    HA   ILE  97           HA       ILE  97 -10.677  -3.677  -5.293
  764    HB   ILE  97           HB       ILE  97 -11.935  -2.870  -2.672
  765   HG12  ILE  97          1HG1      ILE  97 -10.518  -4.995  -1.968
  766   HG13  ILE  97          2HG1      ILE  97  -9.498  -4.528  -3.323
  767   HG21  ILE  97          1HG2      ILE  97 -13.417  -4.300  -3.863
  768   HG22  ILE  97          2HG2      ILE  97 -12.106  -5.448  -4.248
  769   HG23  ILE  97          3HG2      ILE  97 -12.673  -5.233  -2.570
  770   HD11  ILE  97          3HD1      ILE  97  -9.060  -3.658  -0.871
  771   HD12  ILE  97          1HD1      ILE  97  -8.783  -2.573  -2.248
  772   HD13  ILE  97          2HD1      ILE  97 -10.266  -2.437  -1.258
  773    H    ASP  98           H        ASP  98 -12.477  -4.079  -6.450
  774    HA   ASP  98           HA       ASP  98 -14.360  -1.840  -6.911
  775    HB2  ASP  98           1HB      ASP  98 -12.941  -2.721  -8.766
  776    HB3  ASP  98           2HB      ASP  98 -13.770  -4.271  -8.627
  777    H    ILE  99           H        ILE  99 -14.384  -4.952  -5.546
  778    HA   ILE  99           HA       ILE  99 -15.871  -6.091  -4.318
  779    HB   ILE  99           HB       ILE  99 -17.836  -3.850  -4.774
  780   HG12  ILE  99          1HG1      ILE  99 -15.717  -3.029  -3.727
  781   HG13  ILE  99          2HG1      ILE  99 -17.131  -2.864  -2.712
  782   HG21  ILE  99          1HG2      ILE  99 -19.036  -5.755  -3.971
  783   HG22  ILE  99          2HG2      ILE  99 -17.844  -6.046  -2.688
  784   HG23  ILE  99          3HG2      ILE  99 -18.873  -4.600  -2.653
  785   HD11  ILE  99          3HD1      ILE  99 -15.073  -3.636  -1.503
  786   HD12  ILE  99          1HD1      ILE  99 -16.463  -4.710  -1.300
  787   HD13  ILE  99          2HD1      ILE  99 -15.150  -5.161  -2.405
  788    HA   PRO 100           HA       PRO 100 -18.122  -8.381  -7.490
  789    HB2  PRO 100           1HB      PRO 100 -18.558 -10.701  -6.158
  790    HB3  PRO 100           2HB      PRO 100 -16.918 -10.193  -6.648
  791    HG2  PRO 100           1HG      PRO 100 -18.256  -9.849  -3.937
  792    HG3  PRO 100           2HG      PRO 100 -16.623 -10.500  -4.283
  793    HD2  PRO 100           1HD      PRO 100 -17.086  -7.864  -3.587
  794    HD3  PRO 100           2HD      PRO 100 -15.754  -8.358  -4.671
  795    H    LYS 101           H        LYS 101 -20.245  -9.464  -7.710
  796    HA   LYS 101           HA       LYS 101 -22.400  -7.943  -6.585
  797    HB2  LYS 101           1HB      LYS 101 -23.880  -9.475  -7.727
  798    HB3  LYS 101           2HB      LYS 101 -22.539  -9.006  -8.768
  799    HG2  LYS 101           1HG      LYS 101 -21.423 -11.204  -8.297
  800    HG3  LYS 101           2HG      LYS 101 -22.816 -11.672  -7.297
  801    HD2  LYS 101           1HD      LYS 101 -24.309 -11.433  -9.263
  802    HD3  LYS 101           2HD      LYS 101 -22.916 -10.965 -10.263
  803    HE2  LYS 101           1HE      LYS 101 -21.840 -13.158  -9.780
  804    HE3  LYS 101           2HE      LYS 101 -23.228 -13.622  -8.787
  805    HZ1  LYS 101           3HZ      LYS 101 -23.403 -14.523 -11.028
  806    HZ2  LYS 101           1HZ      LYS 101 -24.620 -13.465 -10.777
  807    HZ3  LYS 101           2HZ      LYS 101 -23.336 -13.033 -11.695
  808    H    LYS 102           H        LYS 102 -20.965 -10.983  -5.535
  809    HA   LYS 102           HA       LYS 102 -22.844 -11.690  -3.493
  810    HB2  LYS 102           1HB      LYS 102 -21.098 -13.135  -4.548
  811    HB3  LYS 102           2HB      LYS 102 -19.848 -12.234  -3.676
  812    HG2  LYS 102           1HG      LYS 102 -20.734 -13.028  -1.524
  813    HG3  LYS 102           2HG      LYS 102 -22.137 -13.742  -2.330
  814    HD2  LYS 102           1HD      LYS 102 -20.564 -15.481  -1.745
  815    HD3  LYS 102           2HD      LYS 102 -20.659 -15.343  -3.507
  816    HE2  LYS 102           1HE      LYS 102 -18.549 -14.026  -3.521
  817    HE3  LYS 102           2HE      LYS 102 -18.477 -14.108  -1.755
  818    HZ1  LYS 102           3HZ      LYS 102 -17.075 -15.797  -2.783
  819    HZ2  LYS 102           1HZ      LYS 102 -18.273 -16.524  -1.945
  820    HZ3  LYS 102           2HZ      LYS 102 -18.344 -16.449  -3.577
  821    H    GLY 103           H        GLY 103 -20.516  -9.123  -3.569
  822    HA2  GLY 103           1HA      GLY 103 -20.352  -8.702  -0.666
  823    HA3  GLY 103           2HA      GLY 103 -19.654  -7.702  -1.968
  824    H    VAL 104           H        VAL 104 -22.695  -7.889  -2.978
  825    HA   VAL 104           HA       VAL 104 -23.454  -5.268  -1.930
  826    HB   VAL 104           HB       VAL 104 -25.026  -7.195  -3.692
  827   HG11  VAL 104          1HG1      VAL 104 -26.567  -5.649  -2.554
  828   HG12  VAL 104          2HG1      VAL 104 -25.546  -4.265  -3.001
  829   HG13  VAL 104          3HG1      VAL 104 -26.403  -5.192  -4.251
  830   HG21  VAL 104          3HG2      VAL 104 -24.391  -5.654  -5.526
  831   HG22  VAL 104          1HG2      VAL 104 -23.416  -4.693  -4.393
  832   HG23  VAL 104          2HG2      VAL 104 -22.951  -6.359  -4.784
  833    H    SER 105           H        SER 105 -24.313  -4.975  -0.059
  834    HA   SER 105           HA       SER 105 -25.474  -5.099   1.888
  835    HB2  SER 105           1HB      SER 105 -26.913  -7.555   0.833
  836    HB3  SER 105           2HB      SER 105 -27.267  -6.682   2.322
  837    HG   SER 105           HG       SER 105 -27.390  -5.596  -0.321
  838    H    GLY 106           H        GLY 106 -24.904  -5.755   3.891
  839    HA2  GLY 106           1HA      GLY 106 -24.158  -8.278   4.824
  840    HA3  GLY 106           2HA      GLY 106 -22.686  -7.582   4.173
  841    HA   PRO 107           HA       PRO 107 -23.146  -6.408   8.701
  842    HB2  PRO 107           1HB      PRO 107 -20.182  -6.932   8.452
  843    HB3  PRO 107           2HB      PRO 107 -21.280  -7.297   9.819
  844    HG2  PRO 107           1HG      PRO 107 -20.527  -9.270   8.127
  845    HG3  PRO 107           2HG      PRO 107 -22.244  -9.148   8.639
  846    HD2  PRO 107           1HD      PRO 107 -20.977  -8.170   6.061
  847    HD3  PRO 107           2HD      PRO 107 -22.493  -9.094   6.297
  848    H    SER 108           H        SER 108 -22.587  -4.449   9.706
  849    HA   SER 108           HA       SER 108 -20.664  -2.561   8.666
  850    HB2  SER 108           1HB      SER 108 -22.556  -2.423   6.972
  851    HB3  SER 108           2HB      SER 108 -23.585  -1.826   8.283
  852    HG   SER 108           HG       SER 108 -22.575  -0.134   7.033
  853    H    SER 109           H        SER 109 -21.109  -0.322   9.787
  854    HA   SER 109           HA       SER 109 -22.419  -0.303  12.357
  855    HB2  SER 109           1HB      SER 109 -20.434  -1.816  12.809
  856    HB3  SER 109           2HB      SER 109 -19.383  -0.437  12.447
  857    HG   SER 109           HG       SER 109 -19.845  -0.672  14.715
  858    H    GLY 110           H        GLY 110 -21.989   1.722  13.545
  859    HA2  GLY 110           1HA      GLY 110 -20.552   3.958  12.511
  860    HA3  GLY 110           2HA      GLY 110 -22.206   4.034  11.903
  861   H5'1  ATP 201          H5"       ATP 111  11.945 -14.231   5.120
  862   H5'2  ATP 201          H5'       ATP 111  11.805 -12.669   5.925
  863    H4'  ATP 201           H4'      ATP 111  10.111 -14.313   6.663
  864    H3'  ATP 201           H3'      ATP 111   9.833 -15.127   4.050
  865   HO3'  ATP 201          H3T       ATP 111   7.648 -15.852   4.891
  866    H2'  ATP 201           H2'      ATP 111   8.868 -13.111   3.262
  867   HO2'  ATP 201          2HO       ATP 111   7.304 -14.726   2.745
  868    H1'  ATP 201           H1'      ATP 111   7.132 -12.959   5.728
  869    H8   ATP 201           8H       ATP 111   9.586 -10.692   3.682
  870   HN61  ATP 201          2H6       ATP 111   6.327  -6.976   3.096
  871   HN62  ATP 201          1H6       ATP 111   4.661  -6.835   3.680
  872    H2   ATP 201           2H       ATP 111   3.658 -10.165   6.138
  Start of MODEL    4
    1    HA   PRO   1           HA       PRO   1  21.966  11.039 -14.169
    2    HB2  PRO   1           1HB      PRO   1  22.947   8.416 -13.123
    3    HB3  PRO   1           2HB      PRO   1  23.817   9.790 -13.850
    4    HG2  PRO   1           1HG      PRO   1  23.208   9.245 -11.003
    5    HG3  PRO   1           2HG      PRO   1  24.331  10.467 -11.672
    6    HD2  PRO   1           1HD      PRO   1  22.024  11.225 -10.460
    7    HD3  PRO   1           2HD      PRO   1  22.635  12.067 -11.906
    8    H    SER   2           H        SER   2  20.745   7.806 -13.017
    9    HA   SER   2           HA       SER   2  18.734   7.603 -15.111
   10    HB2  SER   2           1HB      SER   2  19.835   5.734 -16.293
   11    HB3  SER   2           2HB      SER   2  20.723   7.246 -16.476
   12    HG   SER   2           HG       SER   2  22.120   5.473 -16.007
   13    H    SER   3           H        SER   3  17.884   5.233 -15.169
   14    HA   SER   3           HA       SER   3  18.140   3.787 -12.585
   15    HB2  SER   3           1HB      SER   3  15.505   4.753 -13.774
   16    HB3  SER   3           2HB      SER   3  15.657   3.562 -12.476
   17    HG   SER   3           HG       SER   3  16.618   6.254 -12.359
   18    H    GLY   4           H        GLY   4  17.765   1.583 -12.763
   19    HA2  GLY   4           1HA      GLY   4  18.257   0.450 -15.385
   20    HA3  GLY   4           2HA      GLY   4  18.174  -0.415 -13.835
   21    H    SER   5           H        SER   5  15.837   1.470 -15.751
   22    HA   SER   5           HA       SER   5  13.725   1.063 -16.542
   23    HB2  SER   5           1HB      SER   5  14.586  -1.849 -16.669
   24    HB3  SER   5           2HB      SER   5  13.221  -1.114 -17.511
   25    HG   SER   5           HG       SER   5  15.983  -0.455 -17.868
   26    H    SER   6           H        SER   6  14.258   0.719 -13.516
   27    HA   SER   6           HA       SER   6  12.235  -1.143 -12.581
   28    HB2  SER   6           1HB      SER   6  12.919  -0.175 -10.354
   29    HB3  SER   6           2HB      SER   6  14.225  -0.888 -11.312
   30    HG   SER   6           HG       SER   6  14.775   1.181 -10.384
   31    H    GLY   7           H        GLY   7  11.988   2.089 -13.669
   32    HA2  GLY   7           1HA      GLY   7   9.620   2.791 -12.022
   33    HA3  GLY   7           2HA      GLY   7  10.400   3.800 -13.255
   34    H    PHE   8           H        PHE   8   7.552   2.957 -12.777
   35    HA   PHE   8           HA       PHE   8   6.806   1.460 -15.186
   36    HB2  PHE   8           1HB      PHE   8   4.565   1.633 -14.342
   37    HB3  PHE   8           2HB      PHE   8   5.631   1.128 -13.056
   38    HD1  PHE   8           1HD      PHE   8   3.482   3.859 -14.325
   39    HD2  PHE   8           2HD      PHE   8   6.062   2.586 -11.110
   40    HE1  PHE   8           1HE      PHE   8   2.618   5.699 -12.902
   41    HE2  PHE   8           2HE      PHE   8   5.195   4.428  -9.691
   42    HZ   PHE   8           HZ       PHE   8   3.474   5.988 -10.582
   43    H    LEU   9           H        LEU   9   4.883   2.444 -16.457
   44    HA   LEU   9           HA       LEU   9   5.112   5.317 -17.032
   45    HB2  LEU   9           1HB      LEU   9   6.902   4.221 -18.378
   46    HB3  LEU   9           2HB      LEU   9   5.704   3.139 -19.085
   47    HG   LEU   9           HG       LEU   9   4.590   5.080 -20.172
   48   HD11  LEU   9          1HD1      LEU   9   5.182   6.907 -18.624
   49   HD12  LEU   9          2HD1      LEU   9   6.905   6.701 -19.012
   50   HD13  LEU   9          3HD1      LEU   9   5.764   7.276 -20.248
   51   HD21  LEU   9          3HD2      LEU   9   6.344   5.495 -21.845
   52   HD22  LEU   9          1HD2      LEU   9   7.580   4.880 -20.723
   53   HD23  LEU   9          2HD2      LEU   9   6.324   3.792 -21.358
   54    H    ASP  10           H        ASP  10   3.282   6.175 -17.906
   55    HA   ASP  10           HA       ASP  10   0.796   4.807 -17.550
   56    HB2  ASP  10           1HB      ASP  10   1.465   7.435 -18.916
   57    HB3  ASP  10           2HB      ASP  10  -0.164   6.888 -18.533
   58    H    LYS  11           H        LYS  11  -0.841   4.293 -19.034
   59    HA   LYS  11           HA       LYS  11  -0.042   3.749 -21.841
   60    HB2  LYS  11           1HB      LYS  11  -1.080   1.884 -19.677
   61    HB3  LYS  11           2HB      LYS  11  -1.431   1.546 -21.351
   62    HG2  LYS  11           1HG      LYS  11   1.360   2.140 -21.315
   63    HG3  LYS  11           2HG      LYS  11   1.060   1.168 -19.869
   64    HD2  LYS  11           1HD      LYS  11  -0.050  -0.562 -21.324
   65    HD3  LYS  11           2HD      LYS  11   0.247   0.477 -22.728
   66    HE2  LYS  11           1HE      LYS  11   1.940  -1.221 -22.726
   67    HE3  LYS  11           2HE      LYS  11   2.706   0.319 -22.324
   68    HZ1  LYS  11           3HZ      LYS  11   3.464  -1.483 -20.883
   69    HZ2  LYS  11           1HZ      LYS  11   2.686  -0.363 -19.986
   70    HZ3  LYS  11           2HZ      LYS  11   1.948  -1.777 -20.358
   71    HA   PRO  12           HA       PRO  12  -3.814   5.460 -23.075
   72    HB2  PRO  12           1HB      PRO  12  -4.396   4.182 -25.422
   73    HB3  PRO  12           2HB      PRO  12  -2.958   5.208 -25.199
   74    HG2  PRO  12           1HG      PRO  12  -3.165   2.184 -24.979
   75    HG3  PRO  12           2HG      PRO  12  -1.961   3.135 -25.910
   76    HD2  PRO  12           1HD      PRO  12  -1.454   2.155 -23.398
   77    HD3  PRO  12           2HD      PRO  12  -0.765   3.692 -23.954
   78    H    THR  13           H        THR  13  -6.038   4.983 -23.961
   79    HA   THR  13           HA       THR  13  -7.461   2.613 -23.095
   80    HB   THR  13           HB       THR  13  -7.151   3.823 -20.943
   81    HG1  THR  13           1HG      THR  13  -9.205   3.496 -20.382
   82   HG21  THR  13          3HG2      THR  13  -8.145   5.949 -20.523
   83   HG22  THR  13          1HG2      THR  13  -7.154   6.160 -21.960
   84   HG23  THR  13          2HG2      THR  13  -8.916   6.003 -22.127
   85    H    LEU  14           H        LEU  14  -9.764   2.833 -23.420
   86    HA   LEU  14           HA       LEU  14 -10.288   4.207 -26.019
   87    HB2  LEU  14           1HB      LEU  14 -11.768   1.898 -24.703
   88    HB3  LEU  14           2HB      LEU  14 -11.980   2.490 -26.338
   89    HG   LEU  14           HG       LEU  14  -9.167   1.827 -26.037
   90   HD11  LEU  14          1HD1      LEU  14  -9.842   0.438 -24.116
   91   HD12  LEU  14          2HD1      LEU  14 -11.019  -0.417 -25.140
   92   HD13  LEU  14          3HD1      LEU  14  -9.278  -0.547 -25.477
   93   HD21  LEU  14          3HD2      LEU  14  -9.642   0.227 -27.834
   94   HD22  LEU  14          1HD2      LEU  14 -11.389   0.388 -27.551
   95   HD23  LEU  14          2HD2      LEU  14 -10.448   1.773 -28.151
   96    H    LEU  15           H        LEU  15 -10.855   4.685 -22.773
   97    HA   LEU  15           HA       LEU  15 -13.624   5.703 -23.021
   98    HB2  LEU  15           1HB      LEU  15 -11.875   5.639 -20.541
   99    HB3  LEU  15           2HB      LEU  15 -13.618   5.827 -20.640
  100    HG   LEU  15           HG       LEU  15 -12.015   3.297 -21.187
  101   HD11  LEU  15          1HD1      LEU  15 -12.341   3.928 -18.808
  102   HD12  LEU  15          2HD1      LEU  15 -14.099   3.982 -19.068
  103   HD13  LEU  15          3HD1      LEU  15 -13.220   2.446 -19.224
  104   HD21  LEU  15          3HD2      LEU  15 -14.215   2.160 -21.471
  105   HD22  LEU  15          1HD2      LEU  15 -15.020   3.745 -21.479
  106   HD23  LEU  15          2HD2      LEU  15 -13.879   3.302 -22.772
  107    H    SER  16           H        SER  16 -13.828   7.645 -21.315
  108    HA   SER  16           HA       SER  16 -12.437   9.981 -22.505
  109    HB2  SER  16           1HB      SER  16 -15.136   9.402 -21.287
  110    HB3  SER  16           2HB      SER  16 -14.541  11.022 -21.332
  111    HG   SER  16           HG       SER  16 -15.802  10.480 -23.218
  112    HA   PRO  17           HA       PRO  17 -10.473  11.070 -18.708
  113    HB2  PRO  17           1HB      PRO  17 -10.835  13.792 -18.528
  114    HB3  PRO  17           2HB      PRO  17  -9.743  13.006 -19.708
  115    HG2  PRO  17           1HG      PRO  17 -12.604  13.931 -20.150
  116    HG3  PRO  17           2HG      PRO  17 -11.165  14.236 -21.184
  117    HD2  PRO  17           1HD      PRO  17 -12.890  12.251 -21.768
  118    HD3  PRO  17           2HD      PRO  17 -11.125  12.023 -21.973
  119    H    GLU  18           H        GLU  18 -13.862  11.937 -19.077
  120    HA   GLU  18           HA       GLU  18 -14.284  12.287 -16.195
  121    HB2  GLU  18           1HB      GLU  18 -16.594  12.740 -16.779
  122    HB3  GLU  18           2HB      GLU  18 -15.480  13.712 -17.737
  123    HG2  GLU  18           1HG      GLU  18 -15.790  12.191 -19.673
  124    HG3  GLU  18           2HG      GLU  18 -16.892  11.190 -18.720
  125    H    GLU  19           H        GLU  19 -14.103   9.529 -18.207
  126    HA   GLU  19           HA       GLU  19 -16.027   7.885 -16.678
  127    HB2  GLU  19           1HB      GLU  19 -14.126   7.387 -18.983
  128    HB3  GLU  19           2HB      GLU  19 -14.845   6.060 -18.118
  129    HG2  GLU  19           1HG      GLU  19 -16.392   8.276 -19.517
  130    HG3  GLU  19           2HG      GLU  19 -16.019   6.700 -20.212
  131    H    LEU  20           H        LEU  20 -12.554   7.997 -17.339
  132    HA   LEU  20           HA       LEU  20 -11.667   5.927 -15.624
  133    HB2  LEU  20           1HB      LEU  20 -10.205   8.468 -16.444
  134    HB3  LEU  20           2HB      LEU  20  -9.437   6.972 -15.955
  135    HG   LEU  20           HG       LEU  20 -11.276   6.914 -18.375
  136   HD11  LEU  20          1HD1      LEU  20  -9.873   8.933 -18.577
  137   HD12  LEU  20          2HD1      LEU  20  -8.418   7.918 -18.463
  138   HD13  LEU  20          3HD1      LEU  20  -9.558   7.720 -19.830
  139   HD21  LEU  20          3HD2      LEU  20  -9.795   5.180 -19.136
  140   HD22  LEU  20          1HD2      LEU  20  -8.653   5.485 -17.811
  141   HD23  LEU  20          2HD2      LEU  20 -10.265   4.814 -17.471
  142    H    LYS  21           H        LYS  21 -11.726   9.448 -15.084
  143    HA   LYS  21           HA       LYS  21 -10.964   9.408 -12.314
  144    HB2  LYS  21           1HB      LYS  21 -12.363  11.386 -14.112
  145    HB3  LYS  21           2HB      LYS  21 -12.373  11.659 -12.381
  146    HG2  LYS  21           1HG      LYS  21 -10.546  12.845 -13.543
  147    HG3  LYS  21           2HG      LYS  21 -10.013  11.806 -12.222
  148    HD2  LYS  21           1HD      LYS  21  -9.151  10.142 -13.758
  149    HD3  LYS  21           2HD      LYS  21  -9.878  10.975 -15.143
  150    HE2  LYS  21           1HE      LYS  21  -8.442  12.959 -14.697
  151    HE3  LYS  21           2HE      LYS  21  -7.728  12.133 -13.307
  152    HZ1  LYS  21           3HZ      LYS  21  -6.326  11.934 -15.268
  153    HZ2  LYS  21           1HZ      LYS  21  -6.857  10.452 -14.837
  154    HZ3  LYS  21           2HZ      LYS  21  -7.517  11.219 -16.125
  155    H    ALA  22           H        ALA  22 -14.217   9.036 -13.788
  156    HA   ALA  22           HA       ALA  22 -15.606   9.121 -11.234
  157    HB1  ALA  22           1HB      ALA  22 -16.748   9.706 -13.305
  158    HB2  ALA  22           2HB      ALA  22 -16.476   8.075 -13.965
  159    HB3  ALA  22           3HB      ALA  22 -17.534   8.306 -12.560
  160    H    ALA  23           H        ALA  23 -14.361   6.425 -13.250
  161    HA   ALA  23           HA       ALA  23 -15.330   4.272 -11.680
  162    HB1  ALA  23           1HB      ALA  23 -14.303   4.093 -13.949
  163    HB2  ALA  23           2HB      ALA  23 -12.716   4.497 -13.249
  164    HB3  ALA  23           3HB      ALA  23 -13.535   2.995 -12.784
  165    H    SER  24           H        SER  24 -12.426   6.271 -11.232
  166    HA   SER  24           HA       SER  24 -11.457   4.747  -8.932
  167    HB2  SER  24           1HB      SER  24 -10.031   5.985 -10.556
  168    HB3  SER  24           2HB      SER  24 -10.666   7.512  -9.911
  169    HG   SER  24           HG       SER  24  -8.660   6.867  -8.919
  170    H    ARG  25           H        ARG  25 -13.009   7.969  -9.290
  171    HA   ARG  25           HA       ARG  25 -13.040   8.586  -6.510
  172    HB2  ARG  25           1HB      ARG  25 -13.130  10.192  -8.395
  173    HB3  ARG  25           2HB      ARG  25 -14.775   9.675  -8.751
  174    HG2  ARG  25           1HG      ARG  25 -14.735  11.771  -7.528
  175    HG3  ARG  25           2HG      ARG  25 -15.552  10.535  -6.579
  176    HD2  ARG  25           1HD      ARG  25 -13.541  10.260  -5.174
  177    HD3  ARG  25           2HD      ARG  25 -12.647  11.405  -6.174
  178    HE   ARG  25           HE       ARG  25 -14.693  11.973  -4.145
  179   HH11  ARG  25          1HH1      ARG  25 -12.899  13.409  -6.840
  180   HH12  ARG  25          2HH1      ARG  25 -13.201  15.030  -6.289
  181   HH21  ARG  25          1HH2      ARG  25 -15.044  14.083  -3.499
  182   HH22  ARG  25          2HH2      ARG  25 -14.399  15.402  -4.428
  183    H    GLY  26           H        GLY  26 -15.421   6.938  -8.539
  184    HA2  GLY  26           1HA      GLY  26 -17.612   7.024  -6.629
  185    HA3  GLY  26           2HA      GLY  26 -17.515   6.103  -8.155
  186    H    ASN  27           H        ASN  27 -14.894   4.947  -6.870
  187    HA   ASN  27           HA       ASN  27 -16.189   2.540  -5.844
  188    HB2  ASN  27           1HB      ASN  27 -14.366   2.447  -7.451
  189    HB3  ASN  27           2HB      ASN  27 -13.265   3.226  -6.323
  190   HD21  ASN  27          2HD2      ASN  27 -14.060   0.218  -7.547
  191   HD22  ASN  27          1HD2      ASN  27 -13.512  -0.727  -6.155
  192    H    GLY  28           H        GLY  28 -13.207   3.755  -4.287
  193    HA2  GLY  28           1HA      GLY  28 -13.065   5.065  -2.299
  194    HA3  GLY  28           2HA      GLY  28 -14.710   4.581  -1.836
  195    H    GLU  29           H        GLU  29 -13.192   1.778  -2.832
  196    HA   GLU  29           HA       GLU  29 -12.437   0.938  -0.109
  197    HB2  GLU  29           1HB      GLU  29 -13.153  -0.378  -2.619
  198    HB3  GLU  29           2HB      GLU  29 -11.633  -0.972  -2.061
  199    HG2  GLU  29           1HG      GLU  29 -14.072  -0.713  -0.275
  200    HG3  GLU  29           2HG      GLU  29 -13.811  -2.133  -1.290
  201    H    TYR  30           H        TYR  30 -10.292  -0.410  -0.067
  202    HA   TYR  30           HA       TYR  30  -8.041   0.500  -1.645
  203    HB2  TYR  30           1HB      TYR  30  -6.878   1.789   0.001
  204    HB3  TYR  30           2HB      TYR  30  -8.433   2.534  -0.291
  205    HD1  TYR  30           1HD      TYR  30 -10.379   1.880   1.391
  206    HD2  TYR  30           2HD      TYR  30  -6.203   1.131   2.165
  207    HE1  TYR  30           1HE      TYR  30 -10.860   1.722   3.836
  208    HE2  TYR  30           2HE      TYR  30  -6.684   0.923   4.601
  209    HH   TYR  30           HH       TYR  30  -8.293   1.014   6.246
  210    H    ALA  31           H        ALA  31  -6.145  -0.539  -1.269
  211    HA   ALA  31           HA       ALA  31  -5.721  -2.306   1.043
  212    HB1  ALA  31           1HB      ALA  31  -6.928  -3.853  -0.324
  213    HB2  ALA  31           2HB      ALA  31  -6.152  -3.293  -1.812
  214    HB3  ALA  31           3HB      ALA  31  -5.228  -4.232  -0.611
  215    H    TRP  32           H        TRP  32  -3.564  -3.027   1.211
  216    HA   TRP  32           HA       TRP  32  -1.560  -1.705  -0.577
  217    HB2  TRP  32           1HB      TRP  32  -1.403  -2.326   2.386
  218    HB3  TRP  32           2HB      TRP  32   0.004  -2.009   1.392
  219    HD1  TRP  32           HD       TRP  32  -3.281  -0.133   2.241
  220    HE1  TRP  32           1HE      TRP  32  -2.794   2.378   2.320
  221    HE3  TRP  32           3HE      TRP  32   1.678  -0.218   0.928
  222    HZ2  TRP  32           2HZ      TRP  32  -0.448   4.086   2.247
  223    HZ3  TRP  32           3HZ      TRP  32   3.001   1.882   0.936
  224    HH2  TRP  32           HH       TRP  32   1.950   4.031   1.607
  225    H    TYR  33           H        TYR  33   0.203  -2.897  -1.212
  226    HA   TYR  33           HA       TYR  33   0.194  -5.838  -0.742
  227    HB2  TYR  33           1HB      TYR  33   0.272  -4.441  -3.440
  228    HB3  TYR  33           2HB      TYR  33   0.652  -6.131  -3.197
  229    HD1  TYR  33           2HD      TYR  33  -2.136  -3.639  -2.856
  230    HD2  TYR  33           1HD      TYR  33  -1.008  -7.771  -3.375
  231    HE1  TYR  33           2HE      TYR  33  -4.515  -4.244  -3.228
  232    HE2  TYR  33           1HE      TYR  33  -3.386  -8.374  -3.754
  233    HH   TYR  33           HH       TYR  33  -5.561  -7.612  -3.867
  234    H    TYR  34           H        TYR  34   2.173  -6.895  -1.293
  235    HA   TYR  34           HA       TYR  34   4.579  -5.194  -1.712
  236    HB2  TYR  34           1HB      TYR  34   5.822  -6.445  -0.078
  237    HB3  TYR  34           2HB      TYR  34   4.417  -5.722   0.676
  238    HD1  TYR  34           2HD      TYR  34   2.479  -7.130   1.396
  239    HD2  TYR  34           1HD      TYR  34   6.108  -8.860  -0.166
  240    HE1  TYR  34           2HE      TYR  34   1.842  -9.329   2.362
  241    HE2  TYR  34           1HE      TYR  34   5.480 -11.059   0.803
  242    HH   TYR  34           HH       TYR  34   3.921 -12.239   2.019
  243    H    GLU  35           H        GLU  35   6.288  -6.216  -2.889
  244    HA   GLU  35           HA       GLU  35   5.435  -8.464  -4.612
  245    HB2  GLU  35           1HB      GLU  35   8.015  -6.848  -4.568
  246    HB3  GLU  35           2HB      GLU  35   7.679  -8.208  -5.647
  247    HG2  GLU  35           1HG      GLU  35   5.598  -6.942  -6.423
  248    HG3  GLU  35           2HG      GLU  35   6.226  -5.559  -5.513
  249    H    GLY  36           H        GLY  36   5.513 -10.434  -3.836
  250    HA2  GLY  36           1HA      GLY  36   7.780 -11.389  -2.115
  251    HA3  GLY  36           2HA      GLY  36   6.236 -12.217  -2.386
  252    H    ARG  37           H        ARG  37   7.640 -14.050  -2.824
  253    HA   ARG  37           HA       ARG  37   9.483 -14.249  -4.944
  254    HB2  ARG  37           1HB      ARG  37   9.134 -15.853  -3.044
  255    HB3  ARG  37           2HB      ARG  37   7.656 -16.417  -3.830
  256    HG2  ARG  37           1HG      ARG  37   9.116 -17.039  -5.853
  257    HG3  ARG  37           2HG      ARG  37  10.525 -16.651  -4.856
  258    HD2  ARG  37           1HD      ARG  37   9.812 -18.355  -3.201
  259    HD3  ARG  37           2HD      ARG  37   8.381 -18.721  -4.167
  260    HE   ARG  37           HE       ARG  37  11.113 -19.609  -4.625
  261   HH11  ARG  37          1HH1      ARG  37   8.051 -19.038  -6.341
  262   HH12  ARG  37          2HH1      ARG  37   8.445 -20.204  -7.573
  263   HH21  ARG  37          1HH2      ARG  37  11.541 -21.064  -6.262
  264   HH22  ARG  37          2HH2      ARG  37  10.388 -21.316  -7.537
  265    H    ASN  38           H        ASN  38   5.988 -14.932  -4.972
  266    HA   ASN  38           HA       ASN  38   6.079 -15.643  -7.848
  267    HB2  ASN  38           1HB      ASN  38   4.111 -16.215  -5.611
  268    HB3  ASN  38           2HB      ASN  38   3.795 -16.602  -7.299
  269   HD21  ASN  38          2HD2      ASN  38   3.614 -18.850  -6.710
  270   HD22  ASN  38          1HD2      ASN  38   5.064 -19.792  -6.418
  271    H    GLY  39           H        GLY  39   5.224 -12.856  -6.121
  272    HA2  GLY  39           1HA      GLY  39   4.616 -11.127  -8.047
  273    HA3  GLY  39           2HA      GLY  39   3.071 -11.964  -7.954
  274    H    TRP  40           H        TRP  40   2.287  -9.777  -7.396
  275    HA   TRP  40           HA       TRP  40   2.811  -8.572  -4.847
  276    HB2  TRP  40           1HB      TRP  40   0.402  -8.431  -6.699
  277    HB3  TRP  40           2HB      TRP  40   0.661  -7.398  -5.301
  278    HD1  TRP  40           HD       TRP  40   1.527  -7.714  -8.908
  279    HE1  TRP  40           1HE      TRP  40   3.081  -5.832  -9.653
  280    HE3  TRP  40           3HE      TRP  40   2.747  -5.825  -4.315
  281    HZ2  TRP  40           2HZ      TRP  40   4.532  -3.635  -8.416
  282    HZ3  TRP  40           3HZ      TRP  40   4.212  -3.843  -4.127
  283    HH2  TRP  40           HH       TRP  40   5.103  -2.726  -6.153
  284    H    TRP  41           H        TRP  41   2.088  -9.023  -2.878
  285    HA   TRP  41           HA       TRP  41  -0.325 -10.736  -2.475
  286    HB2  TRP  41           1HB      TRP  41   2.295 -10.840  -0.933
  287    HB3  TRP  41           2HB      TRP  41   0.836 -11.761  -0.550
  288    HD1  TRP  41           HD       TRP  41   3.994 -12.259  -2.195
  289    HE1  TRP  41           1HE      TRP  41   3.960 -14.068  -4.011
  290    HE3  TRP  41           3HE      TRP  41  -1.070 -12.900  -2.609
  291    HZ2  TRP  41           2HZ      TRP  41   1.984 -15.395  -5.649
  292    HZ3  TRP  41           3HZ      TRP  41  -2.001 -14.396  -4.327
  293    HH2  TRP  41           HH       TRP  41  -0.494 -15.653  -5.868
  294    H    GLN  42           H        GLN  42  -1.697 -10.142  -0.831
  295    HA   GLN  42           HA       GLN  42  -1.612  -7.277  -0.279
  296    HB2  GLN  42           1HB      GLN  42  -3.605  -8.696  -1.103
  297    HB3  GLN  42           2HB      GLN  42  -3.761  -9.240   0.572
  298    HG2  GLN  42           1HG      GLN  42  -3.926  -6.797   1.250
  299    HG3  GLN  42           2HG      GLN  42  -3.920  -6.365  -0.456
  300   HE21  GLN  42          2HE2      GLN  42  -6.046  -6.080   1.747
  301   HE22  GLN  42          1HE2      GLN  42  -7.463  -6.827   1.025
  302    H    TYR  43           H        TYR  43  -1.447  -6.244   1.665
  303    HA   TYR  43           HA       TYR  43  -0.480  -7.626   4.056
  304    HB2  TYR  43           1HB      TYR  43  -1.264  -4.785   3.364
  305    HB3  TYR  43           2HB      TYR  43  -0.899  -5.253   5.016
  306    HD1  TYR  43           1HD      TYR  43   1.382  -6.190   5.592
  307    HD2  TYR  43           2HD      TYR  43   0.503  -4.301   1.827
  308    HE1  TYR  43           1HE      TYR  43   3.797  -5.736   5.261
  309    HE2  TYR  43           2HE      TYR  43   2.923  -3.839   1.481
  310    HH   TYR  43           HH       TYR  43   5.403  -4.869   3.847
  311    H    ASP  44           H        ASP  44  -1.531  -7.690   6.090
  312    HA   ASP  44           HA       ASP  44  -4.314  -8.401   6.126
  313    HB2  ASP  44           1HB      ASP  44  -2.362  -7.714   8.364
  314    HB3  ASP  44           2HB      ASP  44  -3.974  -8.375   8.617
  315    H    GLU  45           H        GLU  45  -6.034  -7.365   7.400
  316    HA   GLU  45           HA       GLU  45  -6.391  -4.589   6.738
  317    HB2  GLU  45           1HB      GLU  45  -8.489  -4.854   8.109
  318    HB3  GLU  45           2HB      GLU  45  -8.314  -5.965   6.751
  319    HG2  GLU  45           1HG      GLU  45  -7.775  -7.817   8.190
  320    HG3  GLU  45           2HG      GLU  45  -7.542  -6.760   9.579
  321    H    ARG  46           H        ARG  46  -4.931  -6.144   9.455
  322    HA   ARG  46           HA       ARG  46  -5.179  -3.798  11.234
  323    HB2  ARG  46           1HB      ARG  46  -3.549  -6.300  11.734
  324    HB3  ARG  46           2HB      ARG  46  -4.188  -5.153  12.908
  325    HG2  ARG  46           1HG      ARG  46  -5.706  -7.262  11.334
  326    HG3  ARG  46           2HG      ARG  46  -5.503  -7.135  13.078
  327    HD2  ARG  46           1HD      ARG  46  -6.911  -5.042  13.056
  328    HD3  ARG  46           2HD      ARG  46  -7.107  -5.244  11.306
  329    HE   ARG  46           HE       ARG  46  -8.717  -6.794  11.607
  330   HH11  ARG  46          1HH1      ARG  46  -7.080  -6.593  14.753
  331   HH12  ARG  46          2HH1      ARG  46  -8.276  -7.603  15.510
  332   HH21  ARG  46          1HH2      ARG  46 -10.143  -8.041  12.596
  333   HH22  ARG  46          2HH2      ARG  46 -10.011  -8.434  14.293
  334    H    THR  47           H        THR  47  -3.040  -4.902   8.813
  335    HA   THR  47           HA       THR  47  -0.713  -3.343   9.836
  336    HB   THR  47           HB       THR  47  -0.832  -5.458   7.652
  337    HG1  THR  47           1HG      THR  47   0.234  -6.663   9.305
  338   HG21  THR  47          3HG2      THR  47   1.680  -5.411   7.996
  339   HG22  THR  47          1HG2      THR  47   1.033  -3.932   7.261
  340   HG23  THR  47          2HG2      THR  47   1.457  -3.944   8.981
  341    H    SER  48           H        SER  48  -2.583  -3.869   6.801
  342    HA   SER  48           HA       SER  48  -1.350  -1.776   5.319
  343    HB2  SER  48           1HB      SER  48  -3.324  -1.863   3.877
  344    HB3  SER  48           2HB      SER  48  -2.691  -3.471   4.233
  345    HG   SER  48           HG       SER  48  -4.394  -3.881   5.573
  346    H    ARG  49           H        ARG  49  -3.946  -1.586   7.722
  347    HA   ARG  49           HA       ARG  49  -4.731   1.082   7.145
  348    HB2  ARG  49           1HB      ARG  49  -5.902   1.088   9.154
  349    HB3  ARG  49           2HB      ARG  49  -5.954  -0.554   8.561
  350    HG2  ARG  49           1HG      ARG  49  -5.566  -0.883  10.810
  351    HG3  ARG  49           2HG      ARG  49  -3.967  -1.044  10.120
  352    HD2  ARG  49           1HD      ARG  49  -4.100   0.216  12.314
  353    HD3  ARG  49           2HD      ARG  49  -3.263   1.045  11.026
  354    HE   ARG  49           HE       ARG  49  -6.121   1.700  11.415
  355   HH11  ARG  49          1HH1      ARG  49  -2.785   2.754  12.107
  356   HH12  ARG  49          2HH1      ARG  49  -3.246   4.451  12.016
  357   HH21  ARG  49          1HH2      ARG  49  -6.604   3.911  11.493
  358   HH22  ARG  49          2HH2      ARG  49  -5.330   5.053  11.828
  359    H    GLU  50           H        GLU  50  -1.844  -0.127   8.783
  360    HA   GLU  50           HA       GLU  50  -1.229   2.402  10.125
  361    HB2  GLU  50           1HB      GLU  50   0.612   0.087   9.386
  362    HB3  GLU  50           2HB      GLU  50   1.013   1.405  10.470
  363    HG2  GLU  50           1HG      GLU  50  -1.285  -0.521  11.032
  364    HG3  GLU  50           2HG      GLU  50   0.373  -0.830  11.516
  365    H    LEU  51           H        LEU  51  -0.378   0.820   7.090
  366    HA   LEU  51           HA       LEU  51   1.492   2.765   6.096
  367    HB2  LEU  51           1HB      LEU  51  -0.245   0.830   4.512
  368    HB3  LEU  51           2HB      LEU  51   1.317   1.499   4.052
  369    HG   LEU  51           HG       LEU  51   0.835  -0.516   6.297
  370   HD11  LEU  51          1HD1      LEU  51   0.469  -1.449   4.055
  371   HD12  LEU  51          2HD1      LEU  51   2.094  -0.916   3.562
  372   HD13  LEU  51          3HD1      LEU  51   1.893  -2.135   4.846
  373   HD21  LEU  51          3HD2      LEU  51   3.317  -0.724   6.289
  374   HD22  LEU  51          1HD2      LEU  51   3.401   0.666   5.179
  375   HD23  LEU  51          2HD2      LEU  51   2.766   0.864   6.829
  376    H    GLU  52           H        GLU  52  -1.980   2.188   5.496
  377    HA   GLU  52           HA       GLU  52  -2.474   4.367   3.767
  378    HB2  GLU  52           1HB      GLU  52  -3.940   2.332   4.263
  379    HB3  GLU  52           2HB      GLU  52  -4.379   3.106   5.778
  380    HG2  GLU  52           1HG      GLU  52  -6.144   3.525   4.268
  381    HG3  GLU  52           2HG      GLU  52  -5.308   5.049   4.451
  382    H    ASP  53           H        ASP  53  -2.295   4.289   7.326
  383    HA   ASP  53           HA       ASP  53  -3.503   6.924   7.695
  384    HB2  ASP  53           1HB      ASP  53  -3.568   4.944   9.268
  385    HB3  ASP  53           2HB      ASP  53  -1.872   5.219   9.625
  386    H    ALA  54           H        ALA  54  -0.270   5.524   7.657
  387    HA   ALA  54           HA       ALA  54   1.239   7.709   8.591
  388    HB1  ALA  54           1HB      ALA  54   2.130   5.511   8.494
  389    HB2  ALA  54           2HB      ALA  54   1.903   5.403   6.740
  390    HB3  ALA  54           3HB      ALA  54   3.131   6.510   7.409
  391    H    PHE  55           H        PHE  55   0.616   6.963   5.086
  392    HA   PHE  55           HA       PHE  55   1.964   9.376   4.246
  393    HB2  PHE  55           1HB      PHE  55   1.555   8.751   2.122
  394    HB3  PHE  55           2HB      PHE  55   1.357   7.188   2.878
  395    HD1  PHE  55           1HD      PHE  55  -0.957   6.248   3.232
  396    HD2  PHE  55           2HD      PHE  55  -0.262   9.873   1.015
  397    HE1  PHE  55           1HE      PHE  55  -3.194   6.041   2.178
  398    HE2  PHE  55           2HE      PHE  55  -2.498   9.658  -0.045
  399    HZ   PHE  55           HZ       PHE  55  -3.968   7.731   0.533
  400    H    SER  56           H        SER  56  -1.118   8.798   5.540
  401    HA   SER  56           HA       SER  56  -2.388  11.286   4.582
  402    HB2  SER  56           1HB      SER  56  -3.509   8.996   5.151
  403    HB3  SER  56           2HB      SER  56  -3.423   9.547   6.828
  404    HG   SER  56           HG       SER  56  -5.411  10.140   5.787
  405    H    LYS  57           H        LYS  57  -0.687  10.163   7.502
  406    HA   LYS  57           HA       LYS  57  -1.236  12.494   9.158
  407    HB2  LYS  57           1HB      LYS  57   0.791  10.233   9.197
  408    HB3  LYS  57           2HB      LYS  57   0.826  11.534  10.387
  409    HG2  LYS  57           1HG      LYS  57  -1.160  10.887  11.419
  410    HG3  LYS  57           2HG      LYS  57  -1.758  10.023  10.001
  411    HD2  LYS  57           1HD      LYS  57  -1.055   8.442  11.777
  412    HD3  LYS  57           2HD      LYS  57  -0.158   8.252  10.284
  413    HE2  LYS  57           1HE      LYS  57   1.584   8.116  11.764
  414    HE3  LYS  57           2HE      LYS  57   1.632   9.829  11.399
  415    HZ1  LYS  57           3HZ      LYS  57   1.718   9.481  13.795
  416    HZ2  LYS  57           1HZ      LYS  57   0.327  10.251  13.426
  417    HZ3  LYS  57           2HZ      LYS  57   0.307   8.657  13.787
  418    H    GLY  58           H        GLY  58   1.464  11.500   7.045
  419    HA2  GLY  58           1HA      GLY  58   2.441  13.366   5.682
  420    HA3  GLY  58           2HA      GLY  58   2.650  14.261   7.205
  421    H    LYS  59           H        LYS  59   3.311  11.132   8.116
  422    HA   LYS  59           HA       LYS  59   6.167  11.527   7.961
  423    HB2  LYS  59           1HB      LYS  59   6.266   9.142   8.811
  424    HB3  LYS  59           2HB      LYS  59   5.484  10.322   9.844
  425    HG2  LYS  59           1HG      LYS  59   3.301   9.506   9.374
  426    HG3  LYS  59           2HG      LYS  59   3.880   8.597   7.969
  427    HD2  LYS  59           1HD      LYS  59   3.373   7.139   9.899
  428    HD3  LYS  59           2HD      LYS  59   5.037   7.021   9.366
  429    HE2  LYS  59           1HE      LYS  59   5.755   8.505  11.229
  430    HE3  LYS  59           2HE      LYS  59   4.083   8.602  11.790
  431    HZ1  LYS  59           3HZ      LYS  59   5.313   6.901  12.998
  432    HZ2  LYS  59           1HZ      LYS  59   4.157   6.159  12.108
  433    HZ3  LYS  59           2HZ      LYS  59   5.711   6.120  11.620
  434    H    LYS  60           H        LYS  60   7.679  10.273   6.946
  435    HA   LYS  60           HA       LYS  60   6.939   9.568   4.147
  436    HB2  LYS  60           1HB      LYS  60   9.088  10.267   3.526
  437    HB3  LYS  60           2HB      LYS  60   8.498  11.454   4.677
  438    HG2  LYS  60           1HG      LYS  60   9.892  10.302   6.455
  439    HG3  LYS  60           2HG      LYS  60  10.544   9.261   5.182
  440    HD2  LYS  60           1HD      LYS  60  12.128  11.002   5.582
  441    HD3  LYS  60           2HD      LYS  60  11.399  11.286   3.997
  442    HE2  LYS  60           1HE      LYS  60   9.894  13.002   5.001
  443    HE3  LYS  60           2HE      LYS  60  10.606  12.695   6.591
  444    HZ1  LYS  60           3HZ      LYS  60  11.611  14.622   5.517
  445    HZ2  LYS  60           1HZ      LYS  60  12.741  13.457   5.707
  446    HZ3  LYS  60           2HZ      LYS  60  12.084  13.730   4.233
  447    H    ASN  61           H        ASN  61   7.333   7.890   6.897
  448    HA   ASN  61           HA       ASN  61   7.551   5.367   5.666
  449    HB2  ASN  61           1HB      ASN  61   9.629   4.505   6.567
  450    HB3  ASN  61           2HB      ASN  61   9.992   5.858   5.510
  451   HD21  ASN  61          2HD2      ASN  61  10.259   7.985   6.612
  452   HD22  ASN  61          1HD2      ASN  61  11.081   8.026   8.163
  453    H    THR  62           H        THR  62   6.982   3.751   7.088
  454    HA   THR  62           HA       THR  62   6.655   4.403   9.985
  455    HB   THR  62           HB       THR  62   4.557   4.970   8.688
  456    HG1  THR  62           1HG      THR  62   3.342   3.956  10.424
  457   HG21  THR  62          3HG2      THR  62   2.993   3.149   8.234
  458   HG22  THR  62          1HG2      THR  62   4.453   2.916   7.261
  459   HG23  THR  62          2HG2      THR  62   4.188   1.932   8.718
  460    H    GLU  63           H        GLU  63   5.704   2.380  11.153
  461    HA   GLU  63           HA       GLU  63   7.530   0.095  10.493
  462    HB2  GLU  63           1HB      GLU  63   6.916   1.520  13.107
  463    HB3  GLU  63           2HB      GLU  63   7.654  -0.088  13.050
  464    HG2  GLU  63           1HG      GLU  63   9.517   0.720  11.747
  465    HG3  GLU  63           2HG      GLU  63   8.832   2.347  11.646
  466    H    MET  64           H        MET  64   6.854  -1.943  10.871
  467    HA   MET  64           HA       MET  64   4.158  -2.529  11.936
  468    HB2  MET  64           1HB      MET  64   3.590  -3.736   9.803
  469    HB3  MET  64           2HB      MET  64   3.599  -1.976   9.677
  470    HG2  MET  64           1HG      MET  64   5.779  -2.006   8.598
  471    HG3  MET  64           2HG      MET  64   5.959  -3.732   8.899
  472    HE1  MET  64           3HE      MET  64   6.001  -3.542   5.157
  473    HE2  MET  64           1HE      MET  64   6.909  -3.184   6.630
  474    HE3  MET  64           2HE      MET  64   6.262  -4.824   6.361
  475    H    LEU  65           H        LEU  65   3.749  -4.671  12.359
  476    HA   LEU  65           HA       LEU  65   6.122  -6.422  12.654
  477    HB2  LEU  65           1HB      LEU  65   4.283  -5.495  14.542
  478    HB3  LEU  65           2HB      LEU  65   3.596  -7.041  14.122
  479    HG   LEU  65           HG       LEU  65   4.963  -7.211  16.075
  480   HD11  LEU  65          1HD1      LEU  65   4.991  -9.179  14.604
  481   HD12  LEU  65          2HD1      LEU  65   6.497  -8.589  13.861
  482   HD13  LEU  65          3HD1      LEU  65   6.467  -9.022  15.572
  483   HD21  LEU  65          3HD2      LEU  65   7.324  -6.679  16.161
  484   HD22  LEU  65          1HD2      LEU  65   7.340  -6.269  14.434
  485   HD23  LEU  65          2HD2      LEU  65   6.413  -5.269  15.573
  486    H    ILE  66           H        ILE  66   6.085  -8.462  11.993
  487    HA   ILE  66           HA       ILE  66   3.768  -9.466  10.344
  488    HB   ILE  66           HB       ILE  66   5.230 -10.366   8.744
  489   HG12  ILE  66          1HG1      ILE  66   7.741  -9.049   9.409
  490   HG13  ILE  66          2HG1      ILE  66   7.291 -10.099  10.730
  491   HG21  ILE  66          1HG2      ILE  66   4.400  -8.031   8.545
  492   HG22  ILE  66          2HG2      ILE  66   5.954  -7.446   9.169
  493   HG23  ILE  66          3HG2      ILE  66   5.881  -8.363   7.645
  494   HD11  ILE  66          3HD1      ILE  66   8.707 -11.140   8.863
  495   HD12  ILE  66          1HD1      ILE  66   7.288 -12.053   9.383
  496   HD13  ILE  66          2HD1      ILE  66   7.230 -11.120   7.883
  497    H    ALA  67           H        ALA  67   5.123 -11.997   9.784
  498    HA   ALA  67           HA       ALA  67   4.126 -13.621  11.836
  499    HB1  ALA  67           1HB      ALA  67   4.540 -14.272   9.464
  500    HB2  ALA  67           2HB      ALA  67   6.297 -14.175   9.754
  501    HB3  ALA  67           3HB      ALA  67   5.324 -15.399  10.592
  502    H    GLY  68           H        GLY  68   7.165 -11.942  11.885
  503    HA2  GLY  68           1HA      GLY  68   7.783 -12.785  14.538
  504    HA3  GLY  68           2HA      GLY  68   8.769 -13.712  13.427
  505    H    PHE  69           H        PHE  69   8.072 -10.405  12.464
  506    HA   PHE  69           HA       PHE  69  10.709  -9.405  13.341
  507    HB2  PHE  69           1HB      PHE  69   9.970  -9.825  10.411
  508    HB3  PHE  69           2HB      PHE  69  11.355  -8.923  10.974
  509    HD1  PHE  69           2HD      PHE  69  13.282 -10.056  12.064
  510    HD2  PHE  69           1HD      PHE  69  10.005 -12.287  10.360
  511    HE1  PHE  69           2HE      PHE  69  14.681 -12.106  12.046
  512    HE2  PHE  69           1HE      PHE  69  11.409 -14.328  10.338
  513    HZ   PHE  69           HZ       PHE  69  13.748 -14.244  11.182
  514    H    LEU  70           H        LEU  70  11.025  -7.191  12.995
  515    HA   LEU  70           HA       LEU  70   8.598  -5.545  12.465
  516    HB2  LEU  70           1HB      LEU  70  10.058  -5.277  14.585
  517    HB3  LEU  70           2HB      LEU  70  11.300  -4.670  13.505
  518    HG   LEU  70           HG       LEU  70  10.285  -2.843  14.578
  519   HD11  LEU  70          1HD1      LEU  70  10.701  -2.584  12.050
  520   HD12  LEU  70          2HD1      LEU  70   8.930  -2.669  11.886
  521   HD13  LEU  70          3HD1      LEU  70   9.676  -1.390  12.853
  522   HD21  LEU  70          3HD2      LEU  70   7.890  -2.255  14.413
  523   HD22  LEU  70          1HD2      LEU  70   7.569  -3.835  13.672
  524   HD23  LEU  70          2HD2      LEU  70   8.201  -3.739  15.332
  525    H    TYR  71           H        TYR  71   8.402  -4.686  10.562
  526    HA   TYR  71           HA       TYR  71  10.784  -4.186   8.818
  527    HB2  TYR  71           1HB      TYR  71   7.970  -4.902   7.994
  528    HB3  TYR  71           2HB      TYR  71   9.222  -4.361   6.882
  529    HD1  TYR  71           1HD      TYR  71  11.601  -5.963   7.996
  530    HD2  TYR  71           2HD      TYR  71   7.528  -7.068   7.100
  531    HE1  TYR  71           1HE      TYR  71  12.308  -8.305   7.675
  532    HE2  TYR  71           2HE      TYR  71   8.208  -9.409   6.891
  533    HH   TYR  71           HH       TYR  71  11.655 -10.444   7.198
  534    H    VAL  72           H        VAL  72  11.132  -2.248   8.080
  535    HA   VAL  72           HA       VAL  72   9.369   0.015   8.825
  536    HB   VAL  72           HB       VAL  72  12.018   0.160   7.342
  537   HG11  VAL  72          1HG1      VAL  72  10.551   2.169   7.172
  538   HG12  VAL  72          2HG1      VAL  72  10.457   2.233   8.948
  539   HG13  VAL  72          3HG1      VAL  72  12.005   2.501   8.126
  540   HG21  VAL  72          3HG2      VAL  72  13.045   0.814   9.507
  541   HG22  VAL  72          1HG2      VAL  72  11.547   0.334  10.337
  542   HG23  VAL  72          2HG2      VAL  72  12.528  -0.871   9.459
  543    H    ALA  73           H        ALA  73   7.848   0.575   7.368
  544    HA   ALA  73           HA       ALA  73   8.088  -0.152   4.483
  545    HB1  ALA  73           1HB      ALA  73   5.966  -0.711   5.587
  546    HB2  ALA  73           2HB      ALA  73   5.780   0.976   6.120
  547    HB3  ALA  73           3HB      ALA  73   5.734   0.577   4.387
  548    H    ASP  74           H        ASP  74   9.199   1.267   3.339
  549    HA   ASP  74           HA       ASP  74   9.446   4.102   4.102
  550    HB2  ASP  74           1HB      ASP  74  11.457   2.841   3.474
  551    HB3  ASP  74           2HB      ASP  74  10.752   2.479   1.897
  552    H    LEU  75           H        LEU  75   7.885   5.386   3.514
  553    HA   LEU  75           HA       LEU  75   6.093   4.821   1.266
  554    HB2  LEU  75           1HB      LEU  75   6.151   6.825   3.541
  555    HB3  LEU  75           2HB      LEU  75   5.096   7.064   2.170
  556    HG   LEU  75           HG       LEU  75   3.876   5.056   2.613
  557   HD11  LEU  75          1HD1      LEU  75   5.529   3.525   3.550
  558   HD12  LEU  75          2HD1      LEU  75   5.592   4.513   5.037
  559   HD13  LEU  75          3HD1      LEU  75   4.098   3.673   4.575
  560   HD21  LEU  75          3HD2      LEU  75   2.743   5.816   4.599
  561   HD22  LEU  75          1HD2      LEU  75   4.225   6.575   5.230
  562   HD23  LEU  75          2HD2      LEU  75   3.408   7.256   3.822
  563    H    GLU  76           H        GLU  76   9.040   6.557   1.609
  564    HA   GLU  76           HA       GLU  76   8.590   8.609  -0.385
  565    HB2  GLU  76           1HB      GLU  76  11.179   7.283   0.533
  566    HB3  GLU  76           2HB      GLU  76  11.055   8.664  -0.548
  567    HG2  GLU  76           1HG      GLU  76   9.771   9.779   1.406
  568    HG3  GLU  76           2HG      GLU  76  10.426   8.484   2.406
  569    H    ASN  77           H        ASN  77  10.300   5.465  -0.528
  570    HA   ASN  77           HA       ASN  77  10.439   5.589  -3.488
  571    HB2  ASN  77           1HB      ASN  77  11.832   3.802  -1.452
  572    HB3  ASN  77           2HB      ASN  77  12.156   3.841  -3.179
  573   HD21  ASN  77          2HD2      ASN  77  12.377   5.801  -0.165
  574   HD22  ASN  77          1HD2      ASN  77  13.705   6.790  -0.771
  575    H    MET  78           H        MET  78   8.419   4.259  -1.219
  576    HA   MET  78           HA       MET  78   6.924   2.543  -1.057
  577    HB2  MET  78           1HB      MET  78   7.100   2.398  -4.083
  578    HB3  MET  78           2HB      MET  78   5.880   1.635  -3.063
  579    HG2  MET  78           1HG      MET  78   6.181   4.611  -2.812
  580    HG3  MET  78           2HG      MET  78   5.512   3.962  -4.296
  581    HE1  MET  78           3HE      MET  78   3.440   4.072  -0.217
  582    HE2  MET  78           1HE      MET  78   4.996   3.228  -0.328
  583    HE3  MET  78           2HE      MET  78   4.882   4.964  -0.726
  584    H    VAL  79           H        VAL  79   8.974   1.675  -0.058
  585    HA   VAL  79           HA       VAL  79   9.193  -1.137  -0.957
  586    HB   VAL  79           HB       VAL  79  11.596  -1.309  -0.525
  587   HG11  VAL  79          1HG1      VAL  79  10.845  -1.007  -2.842
  588   HG12  VAL  79          2HG1      VAL  79  11.059   0.754  -2.684
  589   HG13  VAL  79          3HG1      VAL  79  12.453  -0.337  -2.560
  590   HG21  VAL  79          3HG2      VAL  79  13.048   0.673  -0.383
  591   HG22  VAL  79          1HG2      VAL  79  11.620   1.727  -0.302
  592   HG23  VAL  79          2HG2      VAL  79  11.959   0.558   0.999
  593    H    GLN  80           H        GLN  80  10.263  -2.517   0.836
  594    HA   GLN  80           HA       GLN  80  10.060  -1.336   3.520
  595    HB2  GLN  80           1HB      GLN  80   8.515  -2.994   4.356
  596    HB3  GLN  80           2HB      GLN  80   7.795  -2.193   2.971
  597    HG2  GLN  80           1HG      GLN  80   7.303  -4.280   2.266
  598    HG3  GLN  80           2HG      GLN  80   8.953  -4.353   1.704
  599   HE21  GLN  80          2HE2      GLN  80  10.547  -5.535   3.139
  600   HE22  GLN  80          1HE2      GLN  80   9.881  -6.744   4.250
  601    H    TYR  81           H        TYR  81  11.310  -2.294   5.083
  602    HA   TYR  81           HA       TYR  81  12.949  -4.678   4.504
  603    HB2  TYR  81           1HB      TYR  81  15.053  -3.279   4.845
  604    HB3  TYR  81           2HB      TYR  81  14.235  -3.160   3.317
  605    HD1  TYR  81           2HD      TYR  81  14.401  -1.345   6.641
  606    HD2  TYR  81           1HD      TYR  81  13.773  -1.077   2.382
  607    HE1  TYR  81           2HE      TYR  81  14.463   1.120   6.787
  608    HE2  TYR  81           1HE      TYR  81  13.890   1.376   2.501
  609    HH   TYR  81           HH       TYR  81  14.374   3.115   5.625
  610    H    ARG  82           H        ARG  82  14.449  -5.231   6.247
  611    HA   ARG  82           HA       ARG  82  13.365  -4.907   8.931
  612    HB2  ARG  82           1HB      ARG  82  14.413  -6.967   8.168
  613    HB3  ARG  82           2HB      ARG  82  15.937  -6.131   7.857
  614    HG2  ARG  82           1HG      ARG  82  16.281  -5.734  10.234
  615    HG3  ARG  82           2HG      ARG  82  14.655  -6.345  10.622
  616    HD2  ARG  82           1HD      ARG  82  15.240  -8.571   9.887
  617    HD3  ARG  82           2HD      ARG  82  16.787  -8.029   9.240
  618    HE   ARG  82           HE       ARG  82  16.044  -8.368  12.101
  619   HH11  ARG  82          1HH1      ARG  82  18.635  -7.385   9.855
  620   HH12  ARG  82          2HH1      ARG  82  19.873  -7.860  10.972
  621   HH21  ARG  82          1HH2      ARG  82  17.711  -8.800  13.527
  622   HH22  ARG  82          2HH2      ARG  82  19.362  -8.562  13.042
  623    H    ARG  83           H        ARG  83  14.140  -3.667  10.627
  624    HA   ARG  83           HA       ARG  83  14.979  -1.082  10.065
  625    HB2  ARG  83           1HB      ARG  83  15.433  -2.505  12.719
  626    HB3  ARG  83           2HB      ARG  83  15.347  -0.761  12.445
  627    HG2  ARG  83           1HG      ARG  83  12.960  -1.077  11.655
  628    HG3  ARG  83           2HG      ARG  83  13.090  -2.774  12.155
  629    HD2  ARG  83           1HD      ARG  83  12.075  -1.761  13.972
  630    HD3  ARG  83           2HD      ARG  83  13.754  -1.848  14.491
  631    HE   ARG  83           HE       ARG  83  12.162   0.540  13.643
  632   HH11  ARG  83          1HH1      ARG  83  15.271  -0.488  15.042
  633   HH12  ARG  83          2HH1      ARG  83  15.623   1.140  15.543
  634   HH21  ARG  83          1HH2      ARG  83  12.608   2.414  14.300
  635   HH22  ARG  83          2HH2      ARG  83  14.115   2.829  15.117
  636    H    ASN  84           H        ASN  84  17.106  -3.808  10.790
  637    HA   ASN  84           HA       ASN  84  19.411  -2.186  11.400
  638    HB2  ASN  84           1HB      ASN  84  19.158  -5.157  10.855
  639    HB3  ASN  84           2HB      ASN  84  20.561  -4.363  11.561
  640   HD21  ASN  84          2HD2      ASN  84  20.508  -3.761  13.792
  641   HD22  ASN  84          1HD2      ASN  84  19.160  -4.202  14.825
  642    H    GLU  85           H        GLU  85  18.168  -3.303   8.318
  643    HA   GLU  85           HA       GLU  85  20.393  -2.020   6.989
  644    HB2  GLU  85           1HB      GLU  85  21.043  -3.887   5.561
  645    HB3  GLU  85           2HB      GLU  85  21.525  -4.093   7.230
  646    HG2  GLU  85           1HG      GLU  85  19.074  -5.434   6.025
  647    HG3  GLU  85           2HG      GLU  85  20.678  -6.139   5.992
  648    H    HIS  86           H        HIS  86  19.719  -0.947   5.357
  649    HA   HIS  86           HA       HIS  86  16.981  -1.140   4.399
  650    HB2  HIS  86           1HB      HIS  86  17.519   0.850   3.149
  651    HB3  HIS  86           2HB      HIS  86  18.130   0.995   4.797
  652    HD2  HIS  86           2HD      HIS  86  20.742   1.286   5.116
  653    HE1  HIS  86           1HE      HIS  86  21.906   1.104   1.024
  654    HE2  HIS  86           2HE      HIS  86  22.709   1.591   3.393
  655    H    GLY  87           H        GLY  87  19.920  -2.496   3.334
  656    HA2  GLY  87           1HA      GLY  87  19.394  -2.760   0.497
  657    HA3  GLY  87           2HA      GLY  87  20.611  -3.655   1.436
  658    H    ARG  88           H        ARG  88  18.355  -4.647   3.254
  659    HA   ARG  88           HA       ARG  88  17.474  -6.931   1.583
  660    HB2  ARG  88           1HB      ARG  88  17.308  -6.433   4.584
  661    HB3  ARG  88           2HB      ARG  88  16.745  -7.897   3.779
  662    HG2  ARG  88           1HG      ARG  88  19.627  -6.914   3.718
  663    HG3  ARG  88           2HG      ARG  88  19.005  -8.102   4.848
  664    HD2  ARG  88           1HD      ARG  88  18.392  -8.783   2.024
  665    HD3  ARG  88           2HD      ARG  88  20.108  -8.611   2.316
  666    HE   ARG  88           HE       ARG  88  18.286 -10.686   3.326
  667   HH11  ARG  88          1HH1      ARG  88  21.439  -9.184   3.993
  668   HH12  ARG  88          2HH1      ARG  88  22.056 -10.631   4.737
  669   HH21  ARG  88          1HH2      ARG  88  19.181 -12.520   4.133
  670   HH22  ARG  88          2HH2      ARG  88  20.770 -12.487   4.871
  671    H    ARG  89           H        ARG  89  16.269  -5.141   0.406
  672    HA   ARG  89           HA       ARG  89  13.646  -4.547   1.663
  673    HB2  ARG  89           1HB      ARG  89  13.518  -2.564   0.296
  674    HB3  ARG  89           2HB      ARG  89  14.956  -2.594   1.309
  675    HG2  ARG  89           1HG      ARG  89  16.374  -3.153  -0.583
  676    HG3  ARG  89           2HG      ARG  89  14.955  -3.197  -1.666
  677    HD2  ARG  89           1HD      ARG  89  14.529  -0.853  -1.301
  678    HD3  ARG  89           2HD      ARG  89  15.733  -0.768  -0.018
  679    HE   ARG  89           HE       ARG  89  16.226  -0.959  -2.948
  680   HH11  ARG  89          1HH2      ARG  89  17.697  -0.698   0.259
  681   HH12  ARG  89          2HH2      ARG  89  19.165  -0.003  -0.365
  682   HH21  ARG  89          1HH1      ARG  89  18.182  -0.167  -3.703
  683   HH22  ARG  89          2HH1      ARG  89  19.460   0.212  -2.590
  684    H    ARG  90           H        ARG  90  11.769  -4.508   0.549
  685    HA   ARG  90           HA       ARG  90  11.553  -5.842  -2.122
  686    HB2  ARG  90           1HB      ARG  90   9.847  -6.342   0.360
  687    HB3  ARG  90           2HB      ARG  90   9.433  -6.910  -1.247
  688    HG2  ARG  90           1HG      ARG  90  11.924  -7.788   0.289
  689    HG3  ARG  90           2HG      ARG  90  10.382  -8.630   0.273
  690    HD2  ARG  90           1HD      ARG  90  11.694  -9.792  -1.279
  691    HD3  ARG  90           2HD      ARG  90  10.573  -8.822  -2.247
  692    HE   ARG  90           HE       ARG  90  13.133  -7.506  -1.737
  693   HH11  ARG  90          1HH1      ARG  90  11.591  -9.786  -3.965
  694   HH12  ARG  90          2HH1      ARG  90  12.710  -9.409  -5.243
  695   HH21  ARG  90          1HH2      ARG  90  14.488  -7.059  -3.376
  696   HH22  ARG  90          2HH2      ARG  90  14.355  -7.879  -4.909
  697    H    LYS  91           H        LYS  91   9.989  -5.001  -3.444
  698    HA   LYS  91           HA       LYS  91   9.072  -2.300  -3.098
  699    HB2  LYS  91           1HB      LYS  91   8.741  -4.572  -5.027
  700    HB3  LYS  91           2HB      LYS  91   7.507  -3.340  -5.096
  701    HG2  LYS  91           1HG      LYS  91  10.445  -2.574  -5.145
  702    HG3  LYS  91           2HG      LYS  91   9.658  -3.171  -6.595
  703    HD2  LYS  91           1HD      LYS  91   8.792  -0.725  -5.002
  704    HD3  LYS  91           2HD      LYS  91   9.679  -0.707  -6.512
  705    HE2  LYS  91           1HE      LYS  91   6.797  -1.545  -6.044
  706    HE3  LYS  91           2HE      LYS  91   7.389  -0.182  -6.985
  707    HZ1  LYS  91           3HZ      LYS  91   6.756  -1.950  -8.466
  708    HZ2  LYS  91           1HZ      LYS  91   8.383  -1.830  -8.540
  709    HZ3  LYS  91           2HZ      LYS  91   7.680  -3.061  -7.703
  710    H    ILE  92           H        ILE  92   7.068  -1.407  -2.742
  711    HA   ILE  92           HA       ILE  92   4.769  -3.181  -2.098
  712    HB   ILE  92           HB       ILE  92   4.044  -1.831  -0.239
  713   HG12  ILE  92          1HG1      ILE  92   6.629  -0.301  -0.560
  714   HG13  ILE  92          2HG1      ILE  92   5.023   0.305  -0.985
  715   HG21  ILE  92          1HG2      ILE  92   5.575  -3.779   0.159
  716   HG22  ILE  92          2HG2      ILE  92   6.938  -2.646   0.256
  717   HG23  ILE  92          3HG2      ILE  92   5.611  -2.557   1.430
  718   HD11  ILE  92          3HD1      ILE  92   5.659   1.270   1.092
  719   HD12  ILE  92          1HD1      ILE  92   4.402   0.059   1.455
  720   HD13  ILE  92          2HD1      ILE  92   6.119  -0.296   1.779
  721    H    LYS  93           H        LYS  93   2.668  -1.931  -2.105
  722    HA   LYS  93           HA       LYS  93   2.578   0.570  -3.589
  723    HB2  LYS  93           1HB      LYS  93   1.371  -0.164  -5.523
  724    HB3  LYS  93           2HB      LYS  93   2.845  -1.119  -5.447
  725    HG2  LYS  93           1HG      LYS  93   1.622  -3.045  -4.589
  726    HG3  LYS  93           2HG      LYS  93   0.135  -2.111  -4.425
  727    HD2  LYS  93           1HD      LYS  93  -0.006  -1.775  -6.832
  728    HD3  LYS  93           2HD      LYS  93   1.490  -2.706  -7.077
  729    HE2  LYS  93           1HE      LYS  93   0.477  -4.724  -6.221
  730    HE3  LYS  93           2HE      LYS  93  -0.926  -3.841  -5.600
  731    HZ1  LYS  93           3HZ      LYS  93  -1.360  -5.025  -7.710
  732    HZ2  LYS  93           1HZ      LYS  93  -1.677  -3.427  -7.796
  733    HZ3  LYS  93           2HZ      LYS  93  -0.309  -4.041  -8.490
  734    H    ARG  94           H        ARG  94   0.373   1.337  -3.972
  735    HA   ARG  94           HA       ARG  94  -1.692   0.328  -2.048
  736    HB2  ARG  94           1HB      ARG  94  -1.373   3.026  -3.440
  737    HB3  ARG  94           2HB      ARG  94  -2.859   2.494  -2.639
  738    HG2  ARG  94           1HG      ARG  94  -1.610   2.177  -0.529
  739    HG3  ARG  94           2HG      ARG  94  -0.147   2.808  -1.299
  740    HD2  ARG  94           1HD      ARG  94  -1.086   4.606  -0.052
  741    HD3  ARG  94           2HD      ARG  94  -1.398   4.967  -1.739
  742    HE   ARG  94           HE       ARG  94  -3.366   4.071   0.346
  743   HH11  ARG  94          1HH1      ARG  94  -2.964   5.266  -2.981
  744   HH12  ARG  94          2HH1      ARG  94  -4.654   5.654  -3.112
  745   HH21  ARG  94          1HH2      ARG  94  -5.433   4.715   0.152
  746   HH22  ARG  94          2HH2      ARG  94  -6.049   5.306  -1.373
  747    H    ASP  95           H        ASP  95  -3.715  -0.197  -2.865
  748    HA   ASP  95           HA       ASP  95  -4.372   0.151  -5.697
  749    HB2  ASP  95           1HB      ASP  95  -3.143  -2.262  -5.007
  750    HB3  ASP  95           2HB      ASP  95  -4.870  -2.634  -4.871
  751    H    ILE  96           H        ILE  96  -6.584  -1.156  -6.025
  752    HA   ILE  96           HA       ILE  96  -8.462  -0.328  -3.831
  753    HB   ILE  96           HB       ILE  96  -8.707   0.268  -6.797
  754   HG12  ILE  96          1HG1      ILE  96  -6.999   1.717  -5.748
  755   HG13  ILE  96          2HG1      ILE  96  -8.400   2.610  -6.301
  756   HG21  ILE  96          1HG2      ILE  96 -10.922  -0.027  -5.848
  757   HG22  ILE  96          2HG2      ILE  96 -10.515   0.942  -4.417
  758   HG23  ILE  96          3HG2      ILE  96 -10.669   1.712  -6.006
  759   HD11  ILE  96          3HD1      ILE  96  -7.446   3.240  -3.997
  760   HD12  ILE  96          1HD1      ILE  96  -9.200   2.975  -4.107
  761   HD13  ILE  96          2HD1      ILE  96  -8.167   1.715  -3.419
  762    H    ILE  97           H        ILE  97 -10.129  -1.593  -3.544
  763    HA   ILE  97           HA       ILE  97 -10.314  -4.187  -4.993
  764    HB   ILE  97           HB       ILE  97 -11.825  -3.225  -2.562
  765   HG12  ILE  97          1HG1      ILE  97 -10.361  -5.178  -1.555
  766   HG13  ILE  97          2HG1      ILE  97  -9.271  -4.808  -2.886
  767   HG21  ILE  97          1HG2      ILE  97 -13.143  -4.833  -3.713
  768   HG22  ILE  97          2HG2      ILE  97 -11.751  -5.936  -3.902
  769   HG23  ILE  97          3HG2      ILE  97 -12.451  -5.607  -2.295
  770   HD11  ILE  97          3HD1      ILE  97  -9.059  -3.643  -0.510
  771   HD12  ILE  97          1HD1      ILE  97  -8.713  -2.721  -1.994
  772   HD13  ILE  97          2HD1      ILE  97 -10.267  -2.535  -1.153
  773    H    ASP  98           H        ASP  98 -11.962  -4.798  -6.260
  774    HA   ASP  98           HA       ASP  98 -13.940  -2.730  -7.060
  775    HB2  ASP  98           1HB      ASP  98 -12.290  -3.685  -8.699
  776    HB3  ASP  98           2HB      ASP  98 -13.082  -5.250  -8.519
  777    H    ILE  99           H        ILE  99 -13.870  -5.660  -5.409
  778    HA   ILE  99           HA       ILE  99 -15.373  -6.860  -4.253
  779    HB   ILE  99           HB       ILE  99 -17.576  -5.082  -5.299
  780   HG12  ILE  99          1HG1      ILE  99 -15.866  -3.753  -4.089
  781   HG13  ILE  99          2HG1      ILE  99 -17.417  -3.789  -3.279
  782   HG21  ILE  99          1HG2      ILE  99 -18.476  -7.157  -4.425
  783   HG22  ILE  99          2HG2      ILE  99 -17.565  -6.966  -2.917
  784   HG23  ILE  99          3HG2      ILE  99 -18.851  -5.819  -3.340
  785   HD11  ILE  99          3HD1      ILE  99 -15.456  -3.978  -1.742
  786   HD12  ILE  99          1HD1      ILE  99 -16.588  -5.330  -1.590
  787   HD13  ILE  99          2HD1      ILE  99 -15.058  -5.545  -2.467
  788    HA   PRO 100           HA       PRO 100 -16.333  -9.777  -7.482
  789    HB2  PRO 100           1HB      PRO 100 -16.807 -12.020  -6.005
  790    HB3  PRO 100           2HB      PRO 100 -15.187 -11.286  -6.169
  791    HG2  PRO 100           1HG      PRO 100 -17.180 -10.932  -3.904
  792    HG3  PRO 100           2HG      PRO 100 -15.433 -11.306  -3.787
  793    HD2  PRO 100           1HD      PRO 100 -16.422  -8.754  -3.542
  794    HD3  PRO 100           2HD      PRO 100 -14.830  -9.089  -4.280
  795    H    LYS 101           H        LYS 101 -18.028 -11.098  -8.296
  796    HA   LYS 101           HA       LYS 101 -20.597  -9.901  -8.136
  797    HB2  LYS 101           1HB      LYS 101 -21.284 -11.570  -9.738
  798    HB3  LYS 101           2HB      LYS 101 -19.687 -10.942 -10.146
  799    HG2  LYS 101           1HG      LYS 101 -18.640 -12.998  -9.175
  800    HG3  LYS 101           2HG      LYS 101 -20.256 -13.624  -8.790
  801    HD2  LYS 101           1HD      LYS 101 -20.852 -13.573 -11.197
  802    HD3  LYS 101           2HD      LYS 101 -19.235 -12.947 -11.584
  803    HE2  LYS 101           1HE      LYS 101 -18.212 -14.993 -10.602
  804    HE3  LYS 101           2HE      LYS 101 -19.822 -15.615 -10.216
  805    HZ1  LYS 101           3HZ      LYS 101 -18.989 -16.542 -12.294
  806    HZ2  LYS 101           1HZ      LYS 101 -20.312 -15.636 -12.600
  807    HZ3  LYS 101           2HZ      LYS 101 -18.823 -15.059 -12.957
  808    H    LYS 102           H        LYS 102 -19.321 -12.475  -6.218
  809    HA   LYS 102           HA       LYS 102 -21.959 -13.298  -5.140
  810    HB2  LYS 102           1HB      LYS 102 -20.088 -14.886  -5.610
  811    HB3  LYS 102           2HB      LYS 102 -19.123 -14.102  -4.353
  812    HG2  LYS 102           1HG      LYS 102 -20.823 -14.732  -2.653
  813    HG3  LYS 102           2HG      LYS 102 -21.814 -15.487  -3.908
  814    HD2  LYS 102           1HD      LYS 102 -18.988 -16.338  -3.127
  815    HD3  LYS 102           2HD      LYS 102 -20.480 -17.097  -2.555
  816    HE2  LYS 102           1HE      LYS 102 -21.091 -17.659  -4.911
  817    HE3  LYS 102           2HE      LYS 102 -19.564 -16.958  -5.466
  818    HZ1  LYS 102           3HZ      LYS 102 -19.387 -19.356  -5.205
  819    HZ2  LYS 102           1HZ      LYS 102 -18.392 -18.625  -4.138
  820    HZ3  LYS 102           2HZ      LYS 102 -19.803 -19.276  -3.627
  821    H    GLY 103           H        GLY 103 -19.377 -11.076  -4.334
  822    HA2  GLY 103           1HA      GLY 103 -20.184 -10.684  -1.522
  823    HA3  GLY 103           2HA      GLY 103 -18.881  -9.852  -2.402
  824    H    VAL 104           H        VAL 104 -20.429  -8.874  -4.593
  825    HA   VAL 104           HA       VAL 104 -21.629  -6.532  -3.422
  826    HB   VAL 104           HB       VAL 104 -20.486  -6.585  -5.628
  827   HG11  VAL 104          1HG1      VAL 104 -21.602  -8.642  -6.557
  828   HG12  VAL 104          2HG1      VAL 104 -23.078  -7.686  -6.785
  829   HG13  VAL 104          3HG1      VAL 104 -21.594  -7.248  -7.651
  830   HG21  VAL 104          3HG2      VAL 104 -21.901  -4.904  -6.672
  831   HG22  VAL 104          1HG2      VAL 104 -23.296  -5.418  -5.704
  832   HG23  VAL 104          2HG2      VAL 104 -21.885  -4.680  -4.915
  833    H    SER 105           H        SER 105 -23.738  -5.955  -3.071
  834    HA   SER 105           HA       SER 105 -26.045  -7.479  -3.943
  835    HB2  SER 105           1HB      SER 105 -25.037  -8.919  -2.092
  836    HB3  SER 105           2HB      SER 105 -25.401  -7.594  -0.976
  837    HG   SER 105           HG       SER 105 -27.083  -9.200  -1.085
  838    H    GLY 106           H        GLY 106 -28.072  -6.609  -2.879
  839    HA2  GLY 106           1HA      GLY 106 -27.986  -3.678  -2.937
  840    HA3  GLY 106           2HA      GLY 106 -29.435  -4.696  -2.842
  841    HA   PRO 107           HA       PRO 107 -28.278  -2.891   1.418
  842    HB2  PRO 107           1HB      PRO 107 -29.718  -0.589   1.565
  843    HB3  PRO 107           2HB      PRO 107 -28.112  -0.657   0.775
  844    HG2  PRO 107           1HG      PRO 107 -30.841  -0.830  -0.555
  845    HG3  PRO 107           2HG      PRO 107 -29.467   0.238  -0.992
  846    HD2  PRO 107           1HD      PRO 107 -29.915  -2.142  -2.254
  847    HD3  PRO 107           2HD      PRO 107 -28.256  -1.553  -1.932
  848    H    SER 108           H        SER 108 -29.673  -2.906   3.285
  849    HA   SER 108           HA       SER 108 -31.979  -4.617   3.039
  850    HB2  SER 108           1HB      SER 108 -30.998  -3.078   5.467
  851    HB3  SER 108           2HB      SER 108 -32.024  -4.516   5.466
  852    HG   SER 108           HG       SER 108 -30.258  -5.725   4.653
  853    H    SER 109           H        SER 109 -31.864  -1.304   2.553
  854    HA   SER 109           HA       SER 109 -34.727  -0.903   2.726
  855    HB2  SER 109           1HB      SER 109 -34.682   0.899   4.399
  856    HB3  SER 109           2HB      SER 109 -34.236  -0.655   5.102
  857    HG   SER 109           HG       SER 109 -32.845   1.044   5.802
  858    H    GLY 110           H        GLY 110 -35.352   1.332   2.083
  859    HA2  GLY 110           1HA      GLY 110 -33.536   3.234   0.953
  860    HA3  GLY 110           2HA      GLY 110 -34.112   2.158  -0.320
  861   H5'1  ATP 201          H5"       ATP 111  11.504 -13.216   6.548
  862   H5'2  ATP 201          H5'       ATP 111  11.110 -13.721   4.897
  863    H4'  ATP 201           H4'      ATP 111   9.462 -14.534   7.326
  864    H3'  ATP 201           H3'      ATP 111   9.350 -15.533   4.717
  865   HO3'  ATP 201          H3T       ATP 111   8.084 -16.410   6.392
  866    H2'  ATP 201           H2'      ATP 111   8.881 -13.386   3.769
  867   HO2'  ATP 201          2HO       ATP 111   6.503 -14.827   4.296
  868    H1'  ATP 201           H1'      ATP 111   6.973 -13.017   6.106
  869    H8   ATP 201           8H       ATP 111   9.490 -10.840   4.022
  870   HN61  ATP 201          2H6       ATP 111   6.264  -7.079   3.365
  871   HN62  ATP 201          1H6       ATP 111   4.542  -7.013   3.750
  872    H2   ATP 201           2H       ATP 111   3.579 -10.152   6.435
  Start of MODEL    5
    1    HA   PRO   1           HA       PRO   1   5.444  15.693   2.632
    2    HB2  PRO   1           1HB      PRO   1   3.876  13.282   3.567
    3    HB3  PRO   1           2HB      PRO   1   4.443  13.702   1.923
    4    HG2  PRO   1           1HG      PRO   1   5.788  12.100   3.924
    5    HG3  PRO   1           2HG      PRO   1   6.471  12.611   2.352
    6    HD2  PRO   1           1HD      PRO   1   7.469  13.490   4.786
    7    HD3  PRO   1           2HD      PRO   1   7.572  14.412   3.266
    8    H    SER   2           H        SER   2   3.329  16.454   1.996
    9    HA   SER   2           HA       SER   2   2.168  18.112   4.011
   10    HB2  SER   2           1HB      SER   2   1.270  17.738   1.139
   11    HB3  SER   2           2HB      SER   2   1.044  19.157   2.178
   12    HG   SER   2           HG       SER   2   2.811  19.442   0.723
   13    H    SER   3           H        SER   3   1.523  15.287   4.473
   14    HA   SER   3           HA       SER   3  -0.161  13.960   5.260
   15    HB2  SER   3           1HB      SER   3  -1.612  16.609   5.543
   16    HB3  SER   3           2HB      SER   3  -1.967  15.116   6.417
   17    HG   SER   3           HG       SER   3  -0.636  16.541   7.650
   18    H    GLY   4           H        GLY   4  -0.468  15.001   2.232
   19    HA2  GLY   4           1HA      GLY   4  -1.881  14.552   0.449
   20    HA3  GLY   4           2HA      GLY   4  -2.821  13.466   1.504
   21    H    SER   5           H        SER   5  -2.349  16.747   2.565
   22    HA   SER   5           HA       SER   5  -5.077  17.608   1.721
   23    HB2  SER   5           1HB      SER   5  -5.329  16.040   3.661
   24    HB3  SER   5           2HB      SER   5  -4.371  17.159   4.642
   25    HG   SER   5           HG       SER   5  -6.663  17.474   4.870
   26    H    SER   6           H        SER   6  -2.052  18.450   3.496
   27    HA   SER   6           HA       SER   6  -2.709  21.335   3.445
   28    HB2  SER   6           1HB      SER   6  -1.370  20.153   5.248
   29    HB3  SER   6           2HB      SER   6  -0.064  19.984   4.064
   30    HG   SER   6           HG       SER   6   0.136  21.878   5.407
   31    H    GLY   7           H        GLY   7  -1.496  19.000   1.274
   32    HA2  GLY   7           1HA      GLY   7  -1.216  20.867  -0.904
   33    HA3  GLY   7           2HA      GLY   7   0.343  20.220  -0.419
   34    H    PHE   8           H        PHE   8  -0.722  19.742  -2.939
   35    HA   PHE   8           HA       PHE   8  -2.020  17.136  -3.062
   36    HB2  PHE   8           1HB      PHE   8  -1.917  17.447  -5.465
   37    HB3  PHE   8           2HB      PHE   8  -2.545  18.875  -4.679
   38    HD1  PHE   8           1HD      PHE   8   0.328  17.443  -6.533
   39    HD2  PHE   8           2HD      PHE   8  -1.320  21.007  -4.744
   40    HE1  PHE   8           1HE      PHE   8   2.023  18.823  -7.711
   41    HE2  PHE   8           2HE      PHE   8   0.378  22.380  -5.924
   42    HZ   PHE   8           HZ       PHE   8   2.053  21.293  -7.408
   43    H    LEU   9           H        LEU   9  -1.182  15.349  -4.314
   44    HA   LEU   9           HA       LEU   9   1.697  14.988  -4.639
   45    HB2  LEU   9           1HB      LEU   9   1.352  14.507  -2.233
   46    HB3  LEU   9           2HB      LEU   9   0.053  13.387  -2.633
   47    HG   LEU   9           HG       LEU   9   1.686  11.884  -3.759
   48   HD11  LEU   9          1HD1      LEU   9   3.416  13.500  -4.464
   49   HD12  LEU   9          2HD1      LEU   9   3.785  13.870  -2.765
   50   HD13  LEU   9          3HD1      LEU   9   4.126  12.258  -3.431
   51   HD21  LEU   9          3HD2      LEU   9   2.802  11.102  -1.708
   52   HD22  LEU   9          1HD2      LEU   9   2.461  12.654  -0.913
   53   HD23  LEU   9          2HD2      LEU   9   1.127  11.573  -1.375
   54    H    ASP  10           H        ASP  10   2.112  13.587  -6.254
   55    HA   ASP  10           HA       ASP  10   0.103  11.670  -7.278
   56    HB2  ASP  10           1HB      ASP  10   1.314  13.978  -8.838
   57    HB3  ASP  10           2HB      ASP  10   0.599  12.563  -9.605
   58    H    LYS  11           H        LYS  11   1.011   9.973  -8.442
   59    HA   LYS  11           HA       LYS  11   3.971   9.697  -8.484
   60    HB2  LYS  11           1HB      LYS  11   1.846   8.042  -7.074
   61    HB3  LYS  11           2HB      LYS  11   3.337   7.293  -7.585
   62    HG2  LYS  11           1HG      LYS  11   4.162   9.699  -6.298
   63    HG3  LYS  11           2HG      LYS  11   2.837   9.067  -5.310
   64    HD2  LYS  11           1HD      LYS  11   4.054   6.855  -5.242
   65    HD3  LYS  11           2HD      LYS  11   5.379   7.611  -6.168
   66    HE2  LYS  11           1HE      LYS  11   5.647   9.309  -4.342
   67    HE3  LYS  11           2HE      LYS  11   4.336   8.536  -3.443
   68    HZ1  LYS  11           3HZ      LYS  11   6.392   7.709  -2.588
   69    HZ2  LYS  11           1HZ      LYS  11   5.721   6.495  -3.426
   70    HZ3  LYS  11           2HZ      LYS  11   6.980   7.342  -4.066
   71    HA   PRO  12           HA       PRO  12   3.637   8.156 -12.444
   72    HB2  PRO  12           1HB      PRO  12   5.706   6.394 -12.721
   73    HB3  PRO  12           2HB      PRO  12   5.934   8.134 -12.400
   74    HG2  PRO  12           1HG      PRO  12   5.876   5.844 -10.414
   75    HG3  PRO  12           2HG      PRO  12   7.131   7.122 -10.558
   76    HD2  PRO  12           1HD      PRO  12   5.096   7.302  -8.743
   77    HD3  PRO  12           2HD      PRO  12   5.700   8.746  -9.565
   78    H    THR  13           H        THR  13   3.611   6.279 -13.892
   79    HA   THR  13           HA       THR  13   2.475   3.729 -13.306
   80    HB   THR  13           HB       THR  13   0.636   5.198 -12.390
   81    HG1  THR  13           1HG      THR  13  -0.096   3.299 -13.011
   82   HG21  THR  13          3HG2      THR  13  -0.842   6.200 -14.260
   83   HG22  THR  13          1HG2      THR  13   0.566   7.130 -13.699
   84   HG23  THR  13          2HG2      THR  13   0.619   6.251 -15.235
   85    H    LEU  14           H        LEU  14   1.047   3.157 -15.287
   86    HA   LEU  14           HA       LEU  14   2.462   3.848 -17.839
   87    HB2  LEU  14           1HB      LEU  14   0.757   1.454 -17.059
   88    HB3  LEU  14           2HB      LEU  14   1.617   1.632 -18.575
   89    HG   LEU  14           HG       LEU  14   3.327   1.803 -16.079
   90   HD11  LEU  14          1HD1      LEU  14   1.735   0.085 -15.465
   91   HD12  LEU  14          2HD1      LEU  14   2.037  -0.790 -16.988
   92   HD13  LEU  14          3HD1      LEU  14   3.336  -0.620 -15.778
   93   HD21  LEU  14          3HD2      LEU  14   4.880   0.516 -17.455
   94   HD22  LEU  14          1HD2      LEU  14   3.649   0.309 -18.718
   95   HD23  LEU  14          2HD2      LEU  14   4.299   1.925 -18.359
   96    H    LEU  15           H        LEU  15  -0.421   4.162 -16.024
   97    HA   LEU  15           HA       LEU  15  -2.257   4.529 -18.304
   98    HB2  LEU  15           1HB      LEU  15  -2.863   5.011 -15.368
   99    HB3  LEU  15           2HB      LEU  15  -3.982   4.678 -16.680
  100    HG   LEU  15           HG       LEU  15  -2.084   2.696 -15.370
  101   HD11  LEU  15          1HD1      LEU  15  -4.129   3.299 -14.105
  102   HD12  LEU  15          2HD1      LEU  15  -5.127   2.860 -15.509
  103   HD13  LEU  15          3HD1      LEU  15  -4.178   1.618 -14.663
  104   HD21  LEU  15          3HD2      LEU  15  -3.159   0.983 -16.831
  105   HD22  LEU  15          1HD2      LEU  15  -3.948   2.286 -17.752
  106   HD23  LEU  15          2HD2      LEU  15  -2.173   2.126 -17.745
  107    H    SER  16           H        SER  16  -3.931   6.433 -17.343
  108    HA   SER  16           HA       SER  16  -2.520   8.996 -17.856
  109    HB2  SER  16           1HB      SER  16  -5.169   7.779 -18.650
  110    HB3  SER  16           2HB      SER  16  -4.932   9.489 -18.691
  111    HG   SER  16           HG       SER  16  -4.434   8.479 -20.729
  112    HA   PRO  17           HA       PRO  17  -3.996  10.657 -14.048
  113    HB2  PRO  17           1HB      PRO  17  -4.815  13.202 -14.698
  114    HB3  PRO  17           2HB      PRO  17  -3.103  12.683 -14.652
  115    HG2  PRO  17           1HG      PRO  17  -4.932  12.842 -17.073
  116    HG3  PRO  17           2HG      PRO  17  -3.256  13.468 -16.905
  117    HD2  PRO  17           1HD      PRO  17  -3.732  11.096 -18.088
  118    HD3  PRO  17           2HD      PRO  17  -2.324  11.315 -17.004
  119    H    GLU  18           H        GLU  18  -6.242  10.632 -16.751
  120    HA   GLU  18           HA       GLU  18  -8.602  10.941 -15.035
  121    HB2  GLU  18           1HB      GLU  18  -9.881  10.810 -17.092
  122    HB3  GLU  18           2HB      GLU  18  -8.583  11.993 -17.213
  123    HG2  GLU  18           1HG      GLU  18  -7.217  10.373 -18.518
  124    HG3  GLU  18           2HG      GLU  18  -8.513   9.178 -18.394
  125    H    GLU  19           H        GLU  19  -6.639   8.263 -15.836
  126    HA   GLU  19           HA       GLU  19  -8.800   6.246 -15.749
  127    HB2  GLU  19           1HB      GLU  19  -5.784   6.155 -16.042
  128    HB3  GLU  19           2HB      GLU  19  -6.690   4.716 -15.664
  129    HG2  GLU  19           1HG      GLU  19  -7.175   6.483 -18.096
  130    HG3  GLU  19           2HG      GLU  19  -6.169   5.036 -18.089
  131    H    LEU  20           H        LEU  20  -5.933   7.151 -13.890
  132    HA   LEU  20           HA       LEU  20  -6.164   5.397 -11.687
  133    HB2  LEU  20           1HB      LEU  20  -5.093   8.247 -11.726
  134    HB3  LEU  20           2HB      LEU  20  -4.646   7.021 -10.560
  135    HG   LEU  20           HG       LEU  20  -4.094   6.496 -13.504
  136   HD11  LEU  20          1HD1      LEU  20  -3.400   8.827 -12.990
  137   HD12  LEU  20          2HD1      LEU  20  -2.316   8.197 -11.728
  138   HD13  LEU  20          3HD1      LEU  20  -2.076   7.765 -13.444
  139   HD21  LEU  20          3HD2      LEU  20  -2.190   5.257 -12.612
  140   HD22  LEU  20          1HD2      LEU  20  -2.566   5.791 -10.964
  141   HD23  LEU  20          2HD2      LEU  20  -3.681   4.709 -11.832
  142    H    LYS  21           H        LYS  21  -7.230   8.783 -11.976
  143    HA   LYS  21           HA       LYS  21  -8.564   8.935  -9.440
  144    HB2  LYS  21           1HB      LYS  21  -8.611  10.566 -11.984
  145    HB3  LYS  21           2HB      LYS  21  -9.797  10.882 -10.730
  146    HG2  LYS  21           1HG      LYS  21  -7.816  12.355 -10.600
  147    HG3  LYS  21           2HG      LYS  21  -8.164  11.477  -9.112
  148    HD2  LYS  21           1HD      LYS  21  -6.311   9.970  -9.451
  149    HD3  LYS  21           2HD      LYS  21  -6.061  10.562 -11.103
  150    HE2  LYS  21           1HE      LYS  21  -5.477  12.808 -10.210
  151    HE3  LYS  21           2HE      LYS  21  -5.727  12.219  -8.561
  152    HZ1  LYS  21           3HZ      LYS  21  -3.371  12.174  -9.200
  153    HZ2  LYS  21           1HZ      LYS  21  -3.902  10.657  -8.906
  154    HZ3  LYS  21           2HZ      LYS  21  -3.686  11.172 -10.447
  155    H    ALA  22           H        ALA  22  -9.741   7.791 -12.606
  156    HA   ALA  22           HA       ALA  22 -12.531   7.618 -11.755
  157    HB1  ALA  22           1HB      ALA  22 -11.953   7.877 -14.115
  158    HB2  ALA  22           2HB      ALA  22 -11.044   6.348 -14.103
  159    HB3  ALA  22           3HB      ALA  22 -12.804   6.345 -13.865
  160    H    ALA  23           H        ALA  23  -9.857   5.228 -12.026
  161    HA   ALA  23           HA       ALA  23 -11.273   2.955 -11.076
  162    HB1  ALA  23           1HB      ALA  23  -9.046   2.917 -12.194
  163    HB2  ALA  23           2HB      ALA  23  -8.322   3.701 -10.767
  164    HB3  ALA  23           3HB      ALA  23  -9.007   2.069 -10.633
  165    H    SER  24           H        SER  24  -9.391   5.402  -9.263
  166    HA   SER  24           HA       SER  24  -9.835   4.275  -6.662
  167    HB2  SER  24           1HB      SER  24  -8.038   5.861  -7.318
  168    HB3  SER  24           2HB      SER  24  -9.246   7.156  -7.417
  169    HG   SER  24           HG       SER  24  -8.182   7.093  -5.357
  170    H    ARG  25           H        ARG  25 -11.547   6.984  -8.297
  171    HA   ARG  25           HA       ARG  25 -13.374   7.440  -6.160
  172    HB2  ARG  25           1HB      ARG  25 -12.745   9.070  -7.881
  173    HB3  ARG  25           2HB      ARG  25 -13.600   8.144  -9.107
  174    HG2  ARG  25           1HG      ARG  25 -14.865  10.110  -8.327
  175    HG3  ARG  25           2HG      ARG  25 -15.741   8.605  -8.094
  176    HD2  ARG  25           1HD      ARG  25 -14.994   8.676  -5.638
  177    HD3  ARG  25           2HD      ARG  25 -14.304  10.262  -5.973
  178    HE   ARG  25           HE       ARG  25 -16.431  11.179  -5.987
  179   HH11  ARG  25          1HH1      ARG  25 -16.835   7.645  -6.147
  180   HH12  ARG  25          2HH1      ARG  25 -18.535   7.753  -5.796
  181   HH21  ARG  25          1HH2      ARG  25 -18.627  11.217  -5.572
  182   HH22  ARG  25          2HH2      ARG  25 -19.536   9.737  -5.498
  183    H    GLY  26           H        GLY  26 -13.523   5.240  -8.862
  184    HA2  GLY  26           1HA      GLY  26 -16.265   4.821  -9.155
  185    HA3  GLY  26           2HA      GLY  26 -15.022   3.612  -9.532
  186    H    ASN  27           H        ASN  27 -14.141   3.228  -6.786
  187    HA   ASN  27           HA       ASN  27 -16.601   2.167  -5.420
  188    HB2  ASN  27           1HB      ASN  27 -13.847   0.910  -5.651
  189    HB3  ASN  27           2HB      ASN  27 -15.007   0.439  -4.414
  190   HD21  ASN  27          2HD2      ASN  27 -13.913  -1.260  -6.491
  191   HD22  ASN  27          1HD2      ASN  27 -15.304  -1.836  -7.403
  192    H    GLY  28           H        GLY  28 -13.326   3.614  -4.883
  193    HA2  GLY  28           1HA      GLY  28 -12.699   5.055  -3.164
  194    HA3  GLY  28           2HA      GLY  28 -14.282   4.844  -2.375
  195    H    GLU  29           H        GLU  29 -12.878   1.884  -3.176
  196    HA   GLU  29           HA       GLU  29 -12.115   1.158  -0.443
  197    HB2  GLU  29           1HB      GLU  29 -12.869  -0.208  -2.888
  198    HB3  GLU  29           2HB      GLU  29 -11.264  -0.727  -2.445
  199    HG2  GLU  29           1HG      GLU  29 -12.945  -2.199  -1.433
  200    HG3  GLU  29           2HG      GLU  29 -12.072  -1.331  -0.172
  201    H    TYR  30           H        TYR  30  -9.939  -0.252  -0.447
  202    HA   TYR  30           HA       TYR  30  -7.702   0.679  -1.979
  203    HB2  TYR  30           1HB      TYR  30  -6.504   1.904  -0.296
  204    HB3  TYR  30           2HB      TYR  30  -8.038   2.699  -0.578
  205    HD1  TYR  30           2HD      TYR  30  -9.997   2.102   1.056
  206    HD2  TYR  30           1HD      TYR  30  -5.871   1.166   1.867
  207    HE1  TYR  30           2HE      TYR  30 -10.525   1.899   3.491
  208    HE2  TYR  30           1HE      TYR  30  -6.394   0.921   4.295
  209    HH   TYR  30           HH       TYR  30  -9.701   1.441   5.592
  210    H    ALA  31           H        ALA  31  -5.823  -0.436  -1.579
  211    HA   ALA  31           HA       ALA  31  -5.540  -2.249   0.719
  212    HB1  ALA  31           1HB      ALA  31  -6.732  -3.768  -0.635
  213    HB2  ALA  31           2HB      ALA  31  -5.995  -3.187  -2.139
  214    HB3  ALA  31           3HB      ALA  31  -5.052  -4.163  -0.982
  215    H    TRP  32           H        TRP  32  -3.456  -3.123   0.919
  216    HA   TRP  32           HA       TRP  32  -1.286  -1.780  -0.645
  217    HB2  TRP  32           1HB      TRP  32  -1.423  -2.591   2.275
  218    HB3  TRP  32           2HB      TRP  32   0.088  -2.311   1.437
  219    HD1  TRP  32           HD       TRP  32  -3.142  -0.282   2.126
  220    HE1  TRP  32           1HE      TRP  32  -2.528   2.197   2.299
  221    HE3  TRP  32           3HE      TRP  32   1.880  -0.637   1.121
  222    HZ2  TRP  32           2HZ      TRP  32  -0.073   3.781   2.369
  223    HZ3  TRP  32           3HZ      TRP  32   3.299   1.412   1.208
  224    HH2  TRP  32           HH       TRP  32   2.337   3.559   1.852
  225    H    TYR  33           H        TYR  33   0.421  -3.001  -1.312
  226    HA   TYR  33           HA       TYR  33   0.308  -5.959  -0.989
  227    HB2  TYR  33           1HB      TYR  33   0.464  -4.419  -3.605
  228    HB3  TYR  33           2HB      TYR  33   0.810  -6.128  -3.451
  229    HD1  TYR  33           1HD      TYR  33  -1.925  -3.589  -3.086
  230    HD2  TYR  33           2HD      TYR  33  -0.899  -7.744  -3.607
  231    HE1  TYR  33           1HE      TYR  33  -4.315  -4.128  -3.483
  232    HE2  TYR  33           2HE      TYR  33  -3.292  -8.286  -4.002
  233    HH   TYR  33           HH       TYR  33  -5.856  -5.775  -3.945
  234    H    TYR  34           H        TYR  34   2.256  -7.061  -1.497
  235    HA   TYR  34           HA       TYR  34   4.729  -5.470  -1.899
  236    HB2  TYR  34           1HB      TYR  34   5.887  -6.581  -0.135
  237    HB3  TYR  34           2HB      TYR  34   4.463  -5.815   0.535
  238    HD1  TYR  34           1HD      TYR  34   2.446  -7.242   1.167
  239    HD2  TYR  34           2HD      TYR  34   6.248  -8.947   0.052
  240    HE1  TYR  34           1HE      TYR  34   1.783  -9.395   2.215
  241    HE2  TYR  34           2HE      TYR  34   5.593 -11.100   1.099
  242    HH   TYR  34           HH       TYR  34   3.955 -12.258   2.234
  243    H    GLU  35           H        GLU  35   6.500  -6.736  -2.835
  244    HA   GLU  35           HA       GLU  35   5.527  -8.940  -4.522
  245    HB2  GLU  35           1HB      GLU  35   8.280  -7.669  -4.312
  246    HB3  GLU  35           2HB      GLU  35   7.850  -9.009  -5.384
  247    HG2  GLU  35           1HG      GLU  35   5.945  -7.457  -6.247
  248    HG3  GLU  35           2HG      GLU  35   6.868  -6.155  -5.485
  249    H    GLY  36           H        GLY  36   5.412 -10.937  -3.932
  250    HA2  GLY  36           1HA      GLY  36   7.366 -12.184  -2.013
  251    HA3  GLY  36           2HA      GLY  36   5.740 -12.778  -2.367
  252    H    ARG  37           H        ARG  37   6.557 -14.814  -2.883
  253    HA   ARG  37           HA       ARG  37   8.726 -15.318  -4.639
  254    HB2  ARG  37           1HB      ARG  37   6.416 -17.196  -3.979
  255    HB3  ARG  37           2HB      ARG  37   8.019 -17.659  -4.540
  256    HG2  ARG  37           1HG      ARG  37   7.349 -16.378  -1.855
  257    HG3  ARG  37           2HG      ARG  37   7.740 -18.072  -2.137
  258    HD2  ARG  37           1HD      ARG  37  10.016 -17.539  -2.763
  259    HD3  ARG  37           2HD      ARG  37   9.657 -15.800  -2.766
  260    HE   ARG  37           HE       ARG  37   9.085 -16.993  -0.201
  261   HH11  ARG  37          1HH1      ARG  37  11.787 -15.807  -2.145
  262   HH12  ARG  37          2HH1      ARG  37  12.665 -15.220  -0.753
  263   HH21  ARG  37          1HH2      ARG  37  10.256 -16.193   1.558
  264   HH22  ARG  37          2HH2      ARG  37  11.786 -15.417   1.317
  265    H    ASN  38           H        ASN  38   5.271 -15.223  -5.330
  266    HA   ASN  38           HA       ASN  38   5.773 -15.845  -8.212
  267    HB2  ASN  38           1HB      ASN  38   3.368 -16.350  -6.436
  268    HB3  ASN  38           2HB      ASN  38   3.411 -16.686  -8.165
  269   HD21  ASN  38          2HD2      ASN  38   3.373 -18.382  -5.469
  270   HD22  ASN  38          1HD2      ASN  38   4.541 -19.634  -5.847
  271    H    GLY  39           H        GLY  39   4.908 -13.177  -6.333
  272    HA2  GLY  39           1HA      GLY  39   4.694 -11.253  -8.219
  273    HA3  GLY  39           2HA      GLY  39   3.066 -11.913  -8.259
  274    H    TRP  40           H        TRP  40   2.421  -9.745  -7.598
  275    HA   TRP  40           HA       TRP  40   2.991  -8.699  -4.971
  276    HB2  TRP  40           1HB      TRP  40   0.693  -8.176  -6.895
  277    HB3  TRP  40           2HB      TRP  40   1.067  -7.220  -5.473
  278    HD1  TRP  40           HD       TRP  40   1.967  -7.635  -9.071
  279    HE1  TRP  40           1HE      TRP  40   3.729  -5.928  -9.786
  280    HE3  TRP  40           3HE      TRP  40   3.257  -5.834  -4.454
  281    HZ2  TRP  40           2HZ      TRP  40   5.409  -3.932  -8.526
  282    HZ3  TRP  40           3HZ      TRP  40   4.941  -4.028  -4.248
  283    HH2  TRP  40           HH       TRP  40   6.010  -3.053  -6.269
  284    H    TRP  41           H        TRP  41   2.109  -9.182  -3.054
  285    HA   TRP  41           HA       TRP  41  -0.510 -10.614  -2.898
  286    HB2  TRP  41           1HB      TRP  41   1.985 -11.171  -1.249
  287    HB3  TRP  41           2HB      TRP  41   0.401 -11.916  -1.013
  288    HD1  TRP  41           HD       TRP  41   3.550 -12.667  -2.566
  289    HE1  TRP  41           1HE      TRP  41   3.387 -14.344  -4.503
  290    HE3  TRP  41           3HE      TRP  41  -1.524 -12.650  -3.233
  291    HZ2  TRP  41           2HZ      TRP  41   1.353 -15.307  -6.308
  292    HZ3  TRP  41           3HZ      TRP  41  -2.542 -13.897  -5.093
  293    HH2  TRP  41           HH       TRP  41  -1.124 -15.235  -6.653
  294    H    GLN  42           H        GLN  42  -1.832 -10.106  -1.164
  295    HA   GLN  42           HA       GLN  42  -1.600  -7.300  -0.467
  296    HB2  GLN  42           1HB      GLN  42  -3.664  -8.596  -1.317
  297    HB3  GLN  42           2HB      GLN  42  -3.819  -9.208   0.334
  298    HG2  GLN  42           1HG      GLN  42  -3.902  -6.797   1.121
  299    HG3  GLN  42           2HG      GLN  42  -3.885  -6.288  -0.567
  300   HE21  GLN  42          2HE2      GLN  42  -5.997  -5.947   1.595
  301   HE22  GLN  42          1HE2      GLN  42  -7.440  -6.639   0.872
  302    H    TYR  43           H        TYR  43  -1.448  -6.342   1.522
  303    HA   TYR  43           HA       TYR  43  -0.418  -7.791   3.834
  304    HB2  TYR  43           1HB      TYR  43  -1.291  -4.954   3.251
  305    HB3  TYR  43           2HB      TYR  43  -0.941  -5.455   4.895
  306    HD1  TYR  43           2HD      TYR  43   1.328  -6.120   5.601
  307    HD2  TYR  43           1HD      TYR  43   0.515  -4.652   1.639
  308    HE1  TYR  43           2HE      TYR  43   3.744  -5.635   5.283
  309    HE2  TYR  43           1HE      TYR  43   2.919  -4.127   1.321
  310    HH   TYR  43           HH       TYR  43   5.016  -4.257   2.226
  311    H    ASP  44           H        ASP  44  -1.398  -7.762   5.953
  312    HA   ASP  44           HA       ASP  44  -4.182  -8.581   6.073
  313    HB2  ASP  44           1HB      ASP  44  -2.480  -9.487   7.569
  314    HB3  ASP  44           2HB      ASP  44  -2.153  -7.884   8.235
  315    H    GLU  45           H        GLU  45  -5.889  -7.497   7.232
  316    HA   GLU  45           HA       GLU  45  -6.172  -4.754   6.377
  317    HB2  GLU  45           1HB      GLU  45  -8.418  -4.969   7.485
  318    HB3  GLU  45           2HB      GLU  45  -8.078  -6.168   6.238
  319    HG2  GLU  45           1HG      GLU  45  -7.706  -7.908   7.862
  320    HG3  GLU  45           2HG      GLU  45  -7.657  -6.755   9.192
  321    H    ARG  46           H        ARG  46  -5.040  -6.146   9.364
  322    HA   ARG  46           HA       ARG  46  -5.459  -3.607  10.847
  323    HB2  ARG  46           1HB      ARG  46  -4.046  -6.072  11.862
  324    HB3  ARG  46           2HB      ARG  46  -4.785  -4.768  12.781
  325    HG2  ARG  46           1HG      ARG  46  -6.179  -7.032  11.318
  326    HG3  ARG  46           2HG      ARG  46  -6.230  -6.633  13.029
  327    HD2  ARG  46           1HD      ARG  46  -7.515  -4.536  12.453
  328    HD3  ARG  46           2HD      ARG  46  -7.458  -5.024  10.751
  329    HE   ARG  46           HE       ARG  46  -9.148  -6.481  11.038
  330   HH11  ARG  46          1HH1      ARG  46  -8.031  -5.753  14.330
  331   HH12  ARG  46          2HH1      ARG  46  -9.378  -6.593  15.042
  332   HH21  ARG  46          1HH2      ARG  46 -10.774  -7.508  11.978
  333   HH22  ARG  46          2HH2      ARG  46 -10.932  -7.597  13.714
  334    H    THR  47           H        THR  47  -3.104  -5.062   8.842
  335    HA   THR  47           HA       THR  47  -0.872  -3.452   9.942
  336    HB   THR  47           HB       THR  47  -0.871  -5.549   7.735
  337    HG1  THR  47           1HG      THR  47   0.145  -6.742   9.422
  338   HG21  THR  47          3HG2      THR  47   1.622  -5.470   8.175
  339   HG22  THR  47          1HG2      THR  47   0.979  -3.992   7.419
  340   HG23  THR  47          2HG2      THR  47   1.340  -4.001   9.152
  341    H    SER  48           H        SER  48  -2.575  -3.925   6.779
  342    HA   SER  48           HA       SER  48  -1.228  -1.881   5.356
  343    HB2  SER  48           1HB      SER  48  -3.118  -1.979   3.816
  344    HB3  SER  48           2HB      SER  48  -2.614  -3.605   4.308
  345    HG   SER  48           HG       SER  48  -4.908  -3.361   4.362
  346    H    ARG  49           H        ARG  49  -3.999  -1.639   7.540
  347    HA   ARG  49           HA       ARG  49  -4.752   1.017   6.921
  348    HB2  ARG  49           1HB      ARG  49  -6.080   0.945   8.870
  349    HB3  ARG  49           2HB      ARG  49  -6.072  -0.662   8.172
  350    HG2  ARG  49           1HG      ARG  49  -5.823  -1.156  10.412
  351    HG3  ARG  49           2HG      ARG  49  -4.169  -1.214   9.841
  352    HD2  ARG  49           1HD      ARG  49  -4.398  -0.101  12.063
  353    HD3  ARG  49           2HD      ARG  49  -3.678   0.921  10.861
  354    HE   ARG  49           HE       ARG  49  -6.600   1.176  11.293
  355   HH11  ARG  49          1HH1      ARG  49  -3.425   2.629  11.990
  356   HH12  ARG  49          2HH1      ARG  49  -4.078   4.255  11.759
  357   HH21  ARG  49          1HH2      ARG  49  -7.313   3.352  11.179
  358   HH22  ARG  49          2HH2      ARG  49  -6.125   4.626  11.365
  359    H    GLU  50           H        GLU  50  -1.980  -0.149   8.757
  360    HA   GLU  50           HA       GLU  50  -1.523   2.397  10.145
  361    HB2  GLU  50           1HB      GLU  50   0.375   0.068   9.622
  362    HB3  GLU  50           2HB      GLU  50   0.678   1.404  10.718
  363    HG2  GLU  50           1HG      GLU  50  -1.671  -0.509  11.082
  364    HG3  GLU  50           2HG      GLU  50  -0.071  -0.802  11.745
  365    H    LEU  51           H        LEU  51  -0.498   0.823   7.170
  366    HA   LEU  51           HA       LEU  51   1.537   2.712   6.366
  367    HB2  LEU  51           1HB      LEU  51  -0.061   0.812   4.612
  368    HB3  LEU  51           2HB      LEU  51   1.565   1.426   4.341
  369    HG   LEU  51           HG       LEU  51   0.723  -0.587   6.476
  370   HD11  LEU  51          1HD1      LEU  51   0.683  -1.464   4.180
  371   HD12  LEU  51          2HD1      LEU  51   2.381  -0.973   3.962
  372   HD13  LEU  51          3HD1      LEU  51   1.947  -2.211   5.167
  373   HD21  LEU  51          3HD2      LEU  51   3.189  -0.847   6.840
  374   HD22  LEU  51          1HD2      LEU  51   3.443   0.579   5.806
  375   HD23  LEU  51          2HD2      LEU  51   2.570   0.726   7.347
  376    H    GLU  52           H        GLU  52  -1.861   2.177   5.477
  377    HA   GLU  52           HA       GLU  52  -2.250   4.376   3.777
  378    HB2  GLU  52           1HB      GLU  52  -3.766   2.349   4.235
  379    HB3  GLU  52           2HB      GLU  52  -4.283   3.180   5.693
  380    HG2  GLU  52           1HG      GLU  52  -5.935   3.615   4.071
  381    HG3  GLU  52           2HG      GLU  52  -5.051   5.113   4.232
  382    H    ASP  53           H        ASP  53  -2.167   4.313   7.350
  383    HA   ASP  53           HA       ASP  53  -3.364   6.991   7.589
  384    HB2  ASP  53           1HB      ASP  53  -2.483   4.818   9.463
  385    HB3  ASP  53           2HB      ASP  53  -2.307   6.454  10.039
  386    H    ALA  54           H        ALA  54  -0.150   5.611   7.362
  387    HA   ALA  54           HA       ALA  54   1.305   7.667   8.650
  388    HB1  ALA  54           1HB      ALA  54   2.171   5.473   8.244
  389    HB2  ALA  54           2HB      ALA  54   2.054   5.675   6.485
  390    HB3  ALA  54           3HB      ALA  54   3.229   6.640   7.410
  391    H    PHE  55           H        PHE  55   0.628   7.384   5.102
  392    HA   PHE  55           HA       PHE  55   1.872   9.940   4.543
  393    HB2  PHE  55           1HB      PHE  55   1.141   9.696   2.348
  394    HB3  PHE  55           2HB      PHE  55   1.570   8.094   2.892
  395    HD1  PHE  55           1HD      PHE  55  -1.249  10.360   2.099
  396    HD2  PHE  55           2HD      PHE  55  -0.086   6.285   2.923
  397    HE1  PHE  55           1HE      PHE  55  -3.419   9.555   1.184
  398    HE2  PHE  55           2HE      PHE  55  -2.213   5.495   1.937
  399    HZ   PHE  55           HZ       PHE  55  -3.893   7.112   1.090
  400    H    SER  56           H        SER  56  -1.190   9.040   5.772
  401    HA   SER  56           HA       SER  56  -2.565  11.586   5.231
  402    HB2  SER  56           1HB      SER  56  -3.604   9.244   5.471
  403    HB3  SER  56           2HB      SER  56  -3.384   9.449   7.210
  404    HG   SER  56           HG       SER  56  -5.473  10.148   6.477
  405    H    LYS  57           H        LYS  57  -0.620  10.219   7.874
  406    HA   LYS  57           HA       LYS  57  -1.122  12.395   9.767
  407    HB2  LYS  57           1HB      LYS  57   0.906  10.148   9.543
  408    HB3  LYS  57           2HB      LYS  57   0.967  11.345  10.837
  409    HG2  LYS  57           1HG      LYS  57  -0.971  10.580  11.876
  410    HG3  LYS  57           2HG      LYS  57  -1.621   9.850  10.407
  411    HD2  LYS  57           1HD      LYS  57  -0.857   8.104  11.981
  412    HD3  LYS  57           2HD      LYS  57   0.006   8.076  10.457
  413    HE2  LYS  57           1HE      LYS  57   1.831   7.870  11.777
  414    HE3  LYS  57           2HE      LYS  57   1.763   9.620  11.757
  415    HZ1  LYS  57           3HZ      LYS  57   1.973   8.821  14.030
  416    HZ2  LYS  57           1HZ      LYS  57   0.523   9.553  13.865
  417    HZ3  LYS  57           2HZ      LYS  57   0.618   7.920  13.907
  418    H    GLY  58           H        GLY  58   1.400  11.637   7.360
  419    HA2  GLY  58           1HA      GLY  58   2.278  13.581   6.089
  420    HA3  GLY  58           2HA      GLY  58   2.527  14.416   7.637
  421    H    LYS  59           H        LYS  59   3.328  11.271   8.354
  422    HA   LYS  59           HA       LYS  59   6.162  11.738   8.087
  423    HB2  LYS  59           1HB      LYS  59   6.321   9.316   8.849
  424    HB3  LYS  59           2HB      LYS  59   5.549  10.442   9.962
  425    HG2  LYS  59           1HG      LYS  59   3.375   9.632   9.515
  426    HG3  LYS  59           2HG      LYS  59   3.922   8.774   8.069
  427    HD2  LYS  59           1HD      LYS  59   3.389   7.292   9.973
  428    HD3  LYS  59           2HD      LYS  59   4.986   7.087   9.329
  429    HE2  LYS  59           1HE      LYS  59   4.490   8.759  11.827
  430    HE3  LYS  59           2HE      LYS  59   4.634   6.999  11.882
  431    HZ1  LYS  59           3HZ      LYS  59   6.771   7.847  12.299
  432    HZ2  LYS  59           1HZ      LYS  59   6.844   7.277  10.761
  433    HZ3  LYS  59           2HZ      LYS  59   6.749   8.885  11.046
  434    H    LYS  60           H        LYS  60   7.682  10.465   6.940
  435    HA   LYS  60           HA       LYS  60   6.769   9.637   4.214
  436    HB2  LYS  60           1HB      LYS  60   8.844  10.214   3.407
  437    HB3  LYS  60           2HB      LYS  60   8.449  11.493   4.550
  438    HG2  LYS  60           1HG      LYS  60   9.957  10.355   6.227
  439    HG3  LYS  60           2HG      LYS  60  10.395   9.195   4.952
  440    HD2  LYS  60           1HD      LYS  60  11.051  11.201   3.531
  441    HD3  LYS  60           2HD      LYS  60  10.912  12.197   4.981
  442    HE2  LYS  60           1HE      LYS  60  12.711  11.079   6.070
  443    HE3  LYS  60           2HE      LYS  60  12.582   9.661   5.016
  444    HZ1  LYS  60           3HZ      LYS  60  14.487  11.024   4.416
  445    HZ2  LYS  60           1HZ      LYS  60  13.408  10.934   3.185
  446    HZ3  LYS  60           2HZ      LYS  60  13.524  12.309   4.087
  447    H    ASN  61           H        ASN  61   7.379   8.094   7.063
  448    HA   ASN  61           HA       ASN  61   7.427   5.521   5.881
  449    HB2  ASN  61           1HB      ASN  61   9.564   4.652   6.691
  450    HB3  ASN  61           2HB      ASN  61   9.854   5.961   5.559
  451   HD21  ASN  61          2HD2      ASN  61  10.372   8.074   6.450
  452   HD22  ASN  61          1HD2      ASN  61  11.218   8.201   7.985
  453    H    THR  62           H        THR  62   7.196   3.858   7.405
  454    HA   THR  62           HA       THR  62   6.551   4.541  10.224
  455    HB   THR  62           HB       THR  62   4.564   5.091   8.786
  456    HG1  THR  62           1HG      THR  62   3.201   4.045  10.310
  457   HG21  THR  62          3HG2      THR  62   3.114   3.242   8.073
  458   HG22  THR  62          1HG2      THR  62   4.652   3.178   7.199
  459   HG23  THR  62          2HG2      THR  62   4.339   2.048   8.535
  460    H    GLU  63           H        GLU  63   5.513   2.411  11.222
  461    HA   GLU  63           HA       GLU  63   7.412   0.178  10.602
  462    HB2  GLU  63           1HB      GLU  63   6.681   1.505  13.242
  463    HB3  GLU  63           2HB      GLU  63   7.489  -0.061  13.128
  464    HG2  GLU  63           1HG      GLU  63   9.376   0.931  11.946
  465    HG3  GLU  63           2HG      GLU  63   8.574   2.499  11.886
  466    H    MET  64           H        MET  64   6.765  -1.851  10.938
  467    HA   MET  64           HA       MET  64   4.105  -2.522  12.037
  468    HB2  MET  64           1HB      MET  64   3.549  -3.794   9.940
  469    HB3  MET  64           2HB      MET  64   3.481  -2.040   9.780
  470    HG2  MET  64           1HG      MET  64   5.607  -1.983   8.627
  471    HG3  MET  64           2HG      MET  64   5.919  -3.678   8.996
  472    HE1  MET  64           3HE      MET  64   5.754  -3.789   5.218
  473    HE2  MET  64           1HE      MET  64   6.714  -3.128   6.552
  474    HE3  MET  64           2HE      MET  64   6.241  -4.849   6.546
  475    H    LEU  65           H        LEU  65   3.793  -4.680  12.500
  476    HA   LEU  65           HA       LEU  65   6.239  -6.338  12.752
  477    HB2  LEU  65           1HB      LEU  65   4.403  -5.480  14.683
  478    HB3  LEU  65           2HB      LEU  65   3.772  -7.052  14.276
  479    HG   LEU  65           HG       LEU  65   5.192  -7.152  16.207
  480   HD11  LEU  65          1HD1      LEU  65   5.247  -9.129  14.729
  481   HD12  LEU  65          2HD1      LEU  65   6.720  -8.490  13.959
  482   HD13  LEU  65          3HD1      LEU  65   6.734  -8.923  15.670
  483   HD21  LEU  65          3HD2      LEU  65   7.526  -6.536  16.230
  484   HD22  LEU  65          1HD2      LEU  65   7.503  -6.176  14.494
  485   HD23  LEU  65          2HD2      LEU  65   6.568  -5.166  15.618
  486    H    ILE  66           H        ILE  66   6.240  -8.402  12.124
  487    HA   ILE  66           HA       ILE  66   3.931  -9.455  10.494
  488    HB   ILE  66           HB       ILE  66   5.408 -10.335   8.865
  489   HG12  ILE  66          1HG1      ILE  66   7.845  -8.854   9.438
  490   HG13  ILE  66          2HG1      ILE  66   7.494  -9.895  10.795
  491   HG21  ILE  66          1HG2      ILE  66   4.410  -8.066   8.664
  492   HG22  ILE  66          2HG2      ILE  66   5.940  -7.370   9.230
  493   HG23  ILE  66          3HG2      ILE  66   5.880  -8.317   7.723
  494   HD11  ILE  66          3HD1      ILE  66   8.941 -10.878   8.916
  495   HD12  ILE  66          1HD1      ILE  66   7.615 -11.879   9.521
  496   HD13  ILE  66          2HD1      ILE  66   7.446 -11.013   7.988
  497    H    ALA  67           H        ALA  67   5.378 -11.939   9.889
  498    HA   ALA  67           HA       ALA  67   4.476 -13.605  11.951
  499    HB1  ALA  67           1HB      ALA  67   4.873 -14.237   9.571
  500    HB2  ALA  67           2HB      ALA  67   6.630 -14.069   9.830
  501    HB3  ALA  67           3HB      ALA  67   5.719 -15.335  10.679
  502    H    GLY  68           H        GLY  68   7.449 -11.817  11.946
  503    HA2  GLY  68           1HA      GLY  68   8.159 -12.632  14.581
  504    HA3  GLY  68           2HA      GLY  68   9.146 -13.534  13.451
  505    H    PHE  69           H        PHE  69   8.339 -10.253  12.468
  506    HA   PHE  69           HA       PHE  69  10.956  -9.181  13.326
  507    HB2  PHE  69           1HB      PHE  69  10.183  -9.586  10.403
  508    HB3  PHE  69           2HB      PHE  69  11.551  -8.657  10.959
  509    HD1  PHE  69           2HD      PHE  69  13.520  -9.752  12.017
  510    HD2  PHE  69           1HD      PHE  69  10.290 -12.050  10.311
  511    HE1  PHE  69           2HE      PHE  69  14.989 -11.750  11.912
  512    HE2  PHE  69           1HE      PHE  69  11.761 -14.039  10.208
  513    HZ   PHE  69           HZ       PHE  69  14.114 -13.895  11.005
  514    H    LEU  70           H        LEU  70  11.203  -6.958  12.987
  515    HA   LEU  70           HA       LEU  70   8.726  -5.373  12.549
  516    HB2  LEU  70           1HB      LEU  70  10.354  -5.066  14.560
  517    HB3  LEU  70           2HB      LEU  70  11.481  -4.413  13.383
  518    HG   LEU  70           HG       LEU  70  10.467  -2.629  14.547
  519   HD11  LEU  70          1HD1      LEU  70  10.759  -2.338  12.029
  520   HD12  LEU  70          2HD1      LEU  70   8.987  -2.519  11.922
  521   HD13  LEU  70          3HD1      LEU  70   9.689  -1.206  12.866
  522   HD21  LEU  70          3HD2      LEU  70   8.033  -2.185  14.574
  523   HD22  LEU  70          1HD2      LEU  70   7.742  -3.737  13.762
  524   HD23  LEU  70          2HD2      LEU  70   8.460  -3.698  15.387
  525    H    TYR  71           H        TYR  71   8.401  -4.519  10.636
  526    HA   TYR  71           HA       TYR  71  10.683  -3.978   8.774
  527    HB2  TYR  71           1HB      TYR  71   7.850  -4.767   8.122
  528    HB3  TYR  71           2HB      TYR  71   8.956  -4.074   6.938
  529    HD1  TYR  71           2HD      TYR  71  11.521  -5.466   7.460
  530    HD2  TYR  71           1HD      TYR  71   7.484  -6.964   7.321
  531    HE1  TYR  71           2HE      TYR  71  12.366  -7.743   6.960
  532    HE2  TYR  71           1HE      TYR  71   8.319  -9.238   7.000
  533    HH   TYR  71           HH       TYR  71  10.242 -10.593   6.718
  534    H    VAL  72           H        VAL  72  11.052  -2.016   8.235
  535    HA   VAL  72           HA       VAL  72   9.274   0.227   8.957
  536    HB   VAL  72           HB       VAL  72  11.993   0.255   7.582
  537   HG11  VAL  72          1HG1      VAL  72  10.660   2.290   7.113
  538   HG12  VAL  72          2HG1      VAL  72  10.378   2.514   8.854
  539   HG13  VAL  72          3HG1      VAL  72  12.016   2.658   8.183
  540   HG21  VAL  72          3HG2      VAL  72  12.894   1.024   9.755
  541   HG22  VAL  72          1HG2      VAL  72  11.316   0.710  10.512
  542   HG23  VAL  72          2HG2      VAL  72  12.272  -0.628   9.829
  543    H    ALA  73           H        ALA  73   7.822   0.888   7.467
  544    HA   ALA  73           HA       ALA  73   8.077   0.088   4.592
  545    HB1  ALA  73           1HB      ALA  73   6.036  -0.672   5.729
  546    HB2  ALA  73           2HB      ALA  73   5.692   0.995   6.246
  547    HB3  ALA  73           3HB      ALA  73   5.653   0.571   4.518
  548    H    ASP  74           H        ASP  74   8.816   1.585   3.278
  549    HA   ASP  74           HA       ASP  74   8.944   4.437   4.095
  550    HB2  ASP  74           1HB      ASP  74  11.057   3.324   3.660
  551    HB3  ASP  74           2HB      ASP  74  10.492   2.763   2.086
  552    H    LEU  75           H        LEU  75   7.573   5.834   3.239
  553    HA   LEU  75           HA       LEU  75   5.874   5.210   0.948
  554    HB2  LEU  75           1HB      LEU  75   6.205   7.627   2.775
  555    HB3  LEU  75           2HB      LEU  75   5.098   7.621   1.429
  556    HG   LEU  75           HG       LEU  75   4.855   5.424   3.513
  557   HD11  LEU  75          1HD1      LEU  75   4.845   7.454   4.851
  558   HD12  LEU  75          2HD1      LEU  75   3.748   8.260   3.710
  559   HD13  LEU  75          3HD1      LEU  75   3.179   6.882   4.672
  560   HD21  LEU  75          3HD2      LEU  75   2.496   5.559   2.770
  561   HD22  LEU  75          1HD2      LEU  75   2.938   6.822   1.603
  562   HD23  LEU  75          2HD2      LEU  75   3.625   5.196   1.438
  563    H    GLU  76           H        GLU  76   8.939   6.853   1.344
  564    HA   GLU  76           HA       GLU  76   8.713   8.676  -0.857
  565    HB2  GLU  76           1HB      GLU  76  11.212   7.383   0.314
  566    HB3  GLU  76           2HB      GLU  76  11.162   8.714  -0.823
  567    HG2  GLU  76           1HG      GLU  76   9.599   9.714   1.192
  568    HG3  GLU  76           2HG      GLU  76  10.608   8.637   2.122
  569    H    ASN  77           H        ASN  77  10.389   5.526  -0.657
  570    HA   ASN  77           HA       ASN  77  10.627   5.362  -3.610
  571    HB2  ASN  77           1HB      ASN  77  11.889   3.721  -1.369
  572    HB3  ASN  77           2HB      ASN  77  12.305   3.639  -3.077
  573   HD21  ASN  77          2HD2      ASN  77  12.398   5.788  -0.181
  574   HD22  ASN  77          1HD2      ASN  77  13.778   6.712  -0.770
  575    H    MET  78           H        MET  78   8.590   4.224  -1.191
  576    HA   MET  78           HA       MET  78   7.084   2.531  -0.898
  577    HB2  MET  78           1HB      MET  78   7.093   2.294  -3.906
  578    HB3  MET  78           2HB      MET  78   5.880   1.666  -2.782
  579    HG2  MET  78           1HG      MET  78   6.259   4.505  -2.307
  580    HG3  MET  78           2HG      MET  78   6.043   4.215  -4.033
  581    HE1  MET  78           3HE      MET  78   3.000   3.412  -0.675
  582    HE2  MET  78           1HE      MET  78   4.577   2.593  -0.730
  583    HE3  MET  78           2HE      MET  78   4.497   4.361  -0.545
  584    H    VAL  79           H        VAL  79   9.003   1.593   0.121
  585    HA   VAL  79           HA       VAL  79   9.246  -1.225  -0.732
  586    HB   VAL  79           HB       VAL  79  11.665  -1.349  -0.124
  587   HG11  VAL  79          1HG1      VAL  79  11.036  -1.264  -2.487
  588   HG12  VAL  79          2HG1      VAL  79  11.154   0.513  -2.466
  589   HG13  VAL  79          3HG1      VAL  79  12.594  -0.487  -2.184
  590   HG21  VAL  79          3HG2      VAL  79  13.059   0.633  -0.021
  591   HG22  VAL  79          1HG2      VAL  79  11.637   1.689  -0.162
  592   HG23  VAL  79          2HG2      VAL  79  11.858   0.652   1.267
  593    H    GLN  80           H        GLN  80  10.119  -2.600   1.020
  594    HA   GLN  80           HA       GLN  80   9.726  -1.522   3.775
  595    HB2  GLN  80           1HB      GLN  80   8.952  -3.775   4.437
  596    HB3  GLN  80           2HB      GLN  80   7.851  -3.011   3.287
  597    HG2  GLN  80           1HG      GLN  80   8.642  -4.373   1.463
  598    HG3  GLN  80           2HG      GLN  80  10.023  -4.955   2.391
  599   HE21  GLN  80          2HE2      GLN  80   9.341  -6.160   4.559
  600   HE22  GLN  80          1HE2      GLN  80   8.200  -7.430   4.155
  601    H    TYR  81           H        TYR  81  11.240  -2.226   5.335
  602    HA   TYR  81           HA       TYR  81  13.214  -4.294   4.808
  603    HB2  TYR  81           1HB      TYR  81  15.177  -2.711   5.089
  604    HB3  TYR  81           2HB      TYR  81  14.377  -2.753   3.548
  605    HD1  TYR  81           2HD      TYR  81  14.352  -0.739   6.751
  606    HD2  TYR  81           1HD      TYR  81  13.831  -0.780   2.472
  607    HE1  TYR  81           2HE      TYR  81  14.182   1.731   6.753
  608    HE2  TYR  81           1HE      TYR  81  13.734   1.681   2.443
  609    HH   TYR  81           HH       TYR  81  13.949   3.638   5.467
  610    H    ARG  82           H        ARG  82  14.771  -4.575   6.658
  611    HA   ARG  82           HA       ARG  82  13.414  -4.204   9.233
  612    HB2  ARG  82           1HB      ARG  82  15.948  -5.560   8.299
  613    HB3  ARG  82           2HB      ARG  82  15.758  -5.179  10.014
  614    HG2  ARG  82           1HG      ARG  82  13.648  -6.402  10.126
  615    HG3  ARG  82           2HG      ARG  82  13.756  -6.800   8.408
  616    HD2  ARG  82           1HD      ARG  82  15.846  -7.605  10.479
  617    HD3  ARG  82           2HD      ARG  82  14.476  -8.619  10.042
  618    HE   ARG  82           HE       ARG  82  16.861  -8.046   8.384
  619   HH11  ARG  82          1HH1      ARG  82  13.595  -9.560   8.328
  620   HH12  ARG  82          2HH1      ARG  82  14.051 -10.404   6.845
  621   HH21  ARG  82          1HH2      ARG  82  17.201  -9.177   6.598
  622   HH22  ARG  82          2HH2      ARG  82  15.907 -10.243   5.950
  623    H    ARG  83           H        ARG  83  14.106  -2.990  11.002
  624    HA   ARG  83           HA       ARG  83  15.220  -0.415  10.597
  625    HB2  ARG  83           1HB      ARG  83  14.877  -2.141  13.079
  626    HB3  ARG  83           2HB      ARG  83  15.606  -0.534  13.154
  627    HG2  ARG  83           1HG      ARG  83  13.604   0.464  12.122
  628    HG3  ARG  83           2HG      ARG  83  12.815  -1.123  12.095
  629    HD2  ARG  83           1HD      ARG  83  12.291  -1.078  14.277
  630    HD3  ARG  83           2HD      ARG  83  13.857  -0.447  14.778
  631    HE   ARG  83           HE       ARG  83  11.401   1.004  14.390
  632   HH11  ARG  83          1HH1      ARG  83  14.919   1.496  14.325
  633   HH12  ARG  83          2HH1      ARG  83  14.758   3.209  14.567
  634   HH21  ARG  83          1HH2      ARG  83  11.272   3.195  14.566
  635   HH22  ARG  83          2HH2      ARG  83  12.721   4.158  14.739
  636    H    ASN  84           H        ASN  84  16.923  -3.441  11.185
  637    HA   ASN  84           HA       ASN  84  19.450  -2.130  11.850
  638    HB2  ASN  84           1HB      ASN  84  18.541  -4.229  12.907
  639    HB3  ASN  84           2HB      ASN  84  18.861  -5.068  11.387
  640   HD21  ASN  84          2HD2      ASN  84  20.862  -6.079  11.326
  641   HD22  ASN  84          1HD2      ASN  84  22.248  -5.590  12.286
  642    H    GLU  85           H        GLU  85  18.006  -2.866   8.794
  643    HA   GLU  85           HA       GLU  85  20.534  -2.495   7.402
  644    HB2  GLU  85           1HB      GLU  85  20.525  -4.602   6.175
  645    HB3  GLU  85           2HB      GLU  85  20.788  -4.836   7.903
  646    HG2  GLU  85           1HG      GLU  85  18.355  -5.458   8.134
  647    HG3  GLU  85           2HG      GLU  85  18.211  -5.370   6.375
  648    H    HIS  86           H        HIS  86  20.168  -1.249   5.751
  649    HA   HIS  86           HA       HIS  86  17.524  -1.070   4.434
  650    HB2  HIS  86           1HB      HIS  86  18.492   0.898   3.384
  651    HB3  HIS  86           2HB      HIS  86  18.735   0.951   5.131
  652    HD2  HIS  86           2HD      HIS  86  20.634   0.801   1.829
  653    HE1  HIS  86           1HE      HIS  86  23.620   0.797   4.862
  654    HE2  HIS  86           2HE      HIS  86  23.207   0.981   2.354
  655    H    GLY  87           H        GLY  87  20.548  -2.603   3.911
  656    HA2  GLY  87           1HA      GLY  87  20.577  -2.798   1.030
  657    HA3  GLY  87           2HA      GLY  87  21.519  -3.787   2.169
  658    H    ARG  88           H        ARG  88  18.811  -4.563   3.433
  659    HA   ARG  88           HA       ARG  88  17.805  -6.468   1.353
  660    HB2  ARG  88           1HB      ARG  88  18.010  -6.706   4.371
  661    HB3  ARG  88           2HB      ARG  88  16.851  -7.662   3.462
  662    HG2  ARG  88           1HG      ARG  88  19.864  -7.670   2.992
  663    HG3  ARG  88           2HG      ARG  88  18.970  -8.878   3.916
  664    HD2  ARG  88           1HD      ARG  88  18.640  -8.325   0.930
  665    HD3  ARG  88           2HD      ARG  88  19.494  -9.667   1.660
  666    HE   ARG  88           HE       ARG  88  16.651  -9.368   2.419
  667   HH11  ARG  88          1HH1      ARG  88  18.904 -11.214   0.313
  668   HH12  ARG  88          2HH1      ARG  88  17.664 -12.464   0.130
  669   HH21  ARG  88          1HH2      ARG  88  15.235 -11.114   2.008
  670   HH22  ARG  88          2HH2      ARG  88  15.854 -12.404   0.984
  671    H    ARG  89           H        ARG  89  16.383  -5.259   0.379
  672    HA   ARG  89           HA       ARG  89  13.969  -4.455   1.896
  673    HB2  ARG  89           1HB      ARG  89  13.729  -2.402   0.632
  674    HB3  ARG  89           2HB      ARG  89  15.231  -2.427   1.543
  675    HG2  ARG  89           1HG      ARG  89  16.420  -3.109  -0.604
  676    HG3  ARG  89           2HG      ARG  89  14.892  -2.752  -1.450
  677    HD2  ARG  89           1HD      ARG  89  14.959  -0.448  -0.619
  678    HD3  ARG  89           2HD      ARG  89  16.400  -0.810   0.331
  679    HE   ARG  89           HE       ARG  89  16.204  -0.456  -2.603
  680   HH11  ARG  89          1HH1      ARG  89  18.375  -1.257   0.096
  681   HH12  ARG  89          2HH1      ARG  89  19.793  -1.013  -0.885
  682   HH21  ARG  89          1HH2      ARG  89  18.077  -0.160  -3.774
  683   HH22  ARG  89          2HH2      ARG  89  19.627  -0.400  -3.030
  684    H    ARG  90           H        ARG  90  12.030  -4.545   0.853
  685    HA   ARG  90           HA       ARG  90  11.901  -5.970  -1.791
  686    HB2  ARG  90           1HB      ARG  90  10.141  -6.442   0.652
  687    HB3  ARG  90           2HB      ARG  90   9.859  -7.116  -0.953
  688    HG2  ARG  90           1HG      ARG  90  11.995  -8.340  -0.846
  689    HG3  ARG  90           2HG      ARG  90  12.324  -7.660   0.759
  690    HD2  ARG  90           1HD      ARG  90  10.314  -8.745   1.671
  691    HD3  ARG  90           2HD      ARG  90   9.911  -9.400   0.082
  692    HE   ARG  90           HE       ARG  90  12.125 -10.260   1.886
  693   HH11  ARG  90          1HH1      ARG  90  10.643 -10.786  -1.321
  694   HH12  ARG  90          2HH1      ARG  90  11.594 -12.231  -1.548
  695   HH21  ARG  90          1HH2      ARG  90  13.153 -11.999   1.552
  696   HH22  ARG  90          2HH2      ARG  90  13.076 -12.947   0.080
  697    H    LYS  91           H        LYS  91  10.292  -5.316  -3.182
  698    HA   LYS  91           HA       LYS  91   9.364  -2.597  -2.966
  699    HB2  LYS  91           1HB      LYS  91   9.246  -4.869  -4.908
  700    HB3  LYS  91           2HB      LYS  91   7.939  -3.730  -5.050
  701    HG2  LYS  91           1HG      LYS  91  10.900  -3.044  -5.207
  702    HG3  LYS  91           2HG      LYS  91   9.806  -3.234  -6.575
  703    HD2  LYS  91           1HD      LYS  91   9.725  -1.050  -4.466
  704    HD3  LYS  91           2HD      LYS  91  10.138  -0.882  -6.169
  705    HE2  LYS  91           1HE      LYS  91   7.856  -1.355  -6.856
  706    HE3  LYS  91           2HE      LYS  91   7.395  -1.790  -5.201
  707    HZ1  LYS  91           3HZ      LYS  91   6.691   0.421  -5.643
  708    HZ2  LYS  91           1HZ      LYS  91   7.872   0.458  -4.511
  709    HZ3  LYS  91           2HZ      LYS  91   8.208   0.915  -6.058
  710    H    ILE  92           H        ILE  92   7.436  -1.693  -2.533
  711    HA   ILE  92           HA       ILE  92   5.054  -3.423  -2.094
  712    HB   ILE  92           HB       ILE  92   4.309  -2.250  -0.189
  713   HG12  ILE  92          1HG1      ILE  92   6.660  -0.405  -0.560
  714   HG13  ILE  92          2HG1      ILE  92   4.951  -0.017  -0.762
  715   HG21  ILE  92          1HG2      ILE  92   6.010  -4.044   0.191
  716   HG22  ILE  92          2HG2      ILE  92   7.257  -2.783   0.321
  717   HG23  ILE  92          3HG2      ILE  92   5.922  -2.836   1.483
  718   HD11  ILE  92          3HD1      ILE  92   5.708   0.935   1.297
  719   HD12  ILE  92          1HD1      ILE  92   4.651  -0.440   1.710
  720   HD13  ILE  92          2HD1      ILE  92   6.420  -0.589   1.837
  721    H    LYS  93           H        LYS  93   3.009  -2.159  -2.190
  722    HA   LYS  93           HA       LYS  93   3.028   0.403  -3.577
  723    HB2  LYS  93           1HB      LYS  93   1.882  -0.264  -5.578
  724    HB3  LYS  93           2HB      LYS  93   3.360  -1.211  -5.474
  725    HG2  LYS  93           1HG      LYS  93   2.134  -3.187  -4.773
  726    HG3  LYS  93           2HG      LYS  93   0.641  -2.266  -4.564
  727    HD2  LYS  93           1HD      LYS  93   0.538  -1.777  -6.955
  728    HD3  LYS  93           2HD      LYS  93   2.014  -2.731  -7.232
  729    HE2  LYS  93           1HE      LYS  93   0.947  -4.766  -6.547
  730    HE3  LYS  93           2HE      LYS  93  -0.419  -3.904  -5.822
  731    HZ1  LYS  93           3HZ      LYS  93  -0.936  -4.905  -8.004
  732    HZ2  LYS  93           1HZ      LYS  93  -1.216  -3.299  -7.959
  733    HZ3  LYS  93           2HZ      LYS  93   0.116  -3.887  -8.734
  734    H    ARG  94           H        ARG  94   0.846   1.225  -4.013
  735    HA   ARG  94           HA       ARG  94  -1.291   0.186  -2.186
  736    HB2  ARG  94           1HB      ARG  94  -0.843   2.945  -3.402
  737    HB3  ARG  94           2HB      ARG  94  -2.375   2.419  -2.687
  738    HG2  ARG  94           1HG      ARG  94  -1.228   1.949  -0.547
  739    HG3  ARG  94           2HG      ARG  94   0.292   2.548  -1.229
  740    HD2  ARG  94           1HD      ARG  94  -0.646   4.318   0.078
  741    HD3  ARG  94           2HD      ARG  94  -0.809   4.780  -1.605
  742    HE   ARG  94           HE       ARG  94  -2.975   3.923   0.285
  743   HH11  ARG  94          1HH1      ARG  94  -2.258   5.181  -2.968
  744   HH12  ARG  94          2HH1      ARG  94  -3.911   5.656  -3.216
  745   HH21  ARG  94          1HH2      ARG  94  -4.986   4.685  -0.049
  746   HH22  ARG  94          2HH2      ARG  94  -5.453   5.335  -1.605
  747    H    ASP  95           H        ASP  95  -3.347  -0.129  -3.060
  748    HA   ASP  95           HA       ASP  95  -3.884   0.296  -5.911
  749    HB2  ASP  95           1HB      ASP  95  -2.843  -2.200  -5.172
  750    HB3  ASP  95           2HB      ASP  95  -4.594  -2.455  -5.139
  751    H    ILE  96           H        ILE  96  -6.164  -0.885  -6.325
  752    HA   ILE  96           HA       ILE  96  -8.071  -0.071  -4.168
  753    HB   ILE  96           HB       ILE  96  -8.308   0.584  -7.120
  754   HG12  ILE  96          1HG1      ILE  96  -6.606   2.019  -6.031
  755   HG13  ILE  96          2HG1      ILE  96  -8.005   2.911  -6.588
  756   HG21  ILE  96          1HG2      ILE  96 -10.529   0.259  -6.200
  757   HG22  ILE  96          2HG2      ILE  96 -10.135   1.164  -4.722
  758   HG23  ILE  96          3HG2      ILE  96 -10.299   2.003  -6.267
  759   HD11  ILE  96          3HD1      ILE  96  -7.102   3.530  -4.270
  760   HD12  ILE  96          1HD1      ILE  96  -8.848   3.212  -4.385
  761   HD13  ILE  96          2HD1      ILE  96  -7.777   1.974  -3.717
  762    H    ILE  97           H        ILE  97  -9.787  -1.320  -3.983
  763    HA   ILE  97           HA       ILE  97  -9.832  -3.904  -5.451
  764    HB   ILE  97           HB       ILE  97 -11.517  -2.921  -3.150
  765   HG12  ILE  97          1HG1      ILE  97 -10.206  -5.015  -2.104
  766   HG13  ILE  97          2HG1      ILE  97  -9.007  -4.588  -3.336
  767   HG21  ILE  97          1HG2      ILE  97 -12.837  -4.446  -4.421
  768   HG22  ILE  97          2HG2      ILE  97 -11.502  -5.629  -4.499
  769   HG23  ILE  97          3HG2      ILE  97 -12.305  -5.255  -2.951
  770   HD11  ILE  97          3HD1      ILE  97  -8.822  -3.600  -0.953
  771   HD12  ILE  97          1HD1      ILE  97  -8.578  -2.491  -2.320
  772   HD13  ILE  97          2HD1      ILE  97 -10.119  -2.510  -1.410
  773    H    ASP  98           H        ASP  98 -11.275  -4.563  -6.828
  774    HA   ASP  98           HA       ASP  98 -13.087  -2.592  -8.042
  775    HB2  ASP  98           1HB      ASP  98 -11.350  -3.761  -9.383
  776    HB3  ASP  98           2HB      ASP  98 -12.153  -5.296  -9.056
  777    H    ILE  99           H        ILE  99 -13.316  -5.452  -6.199
  778    HA   ILE  99           HA       ILE  99 -14.963  -6.479  -5.085
  779    HB   ILE  99           HB       ILE  99 -16.968  -4.626  -6.361
  780   HG12  ILE  99          1HG1      ILE  99 -15.244  -3.386  -5.032
  781   HG13  ILE  99          2HG1      ILE  99 -16.876  -3.245  -4.413
  782   HG21  ILE  99          1HG2      ILE  99 -18.109  -6.567  -5.520
  783   HG22  ILE  99          2HG2      ILE  99 -17.263  -6.453  -3.964
  784   HG23  ILE  99          3HG2      ILE  99 -18.419  -5.200  -4.453
  785   HD11  ILE  99          3HD1      ILE  99 -15.120  -3.531  -2.651
  786   HD12  ILE  99          1HD1      ILE  99 -16.402  -4.749  -2.572
  787   HD13  ILE  99          2HD1      ILE  99 -14.817  -5.173  -3.252
  788    HA   PRO 100           HA       PRO 100 -15.967  -9.488  -8.265
  789    HB2  PRO 100           1HB      PRO 100 -16.489 -11.653  -6.719
  790    HB3  PRO 100           2HB      PRO 100 -14.855 -10.945  -6.822
  791    HG2  PRO 100           1HG      PRO 100 -16.977 -10.451  -4.693
  792    HG3  PRO 100           2HG      PRO 100 -15.256 -10.892  -4.447
  793    HD2  PRO 100           1HD      PRO 100 -16.151  -8.291  -4.374
  794    HD3  PRO 100           2HD      PRO 100 -14.530  -8.724  -4.990
  795    H    LYS 101           H        LYS 101 -17.749 -10.920  -8.897
  796    HA   LYS 101           HA       LYS 101 -20.334  -9.710  -8.711
  797    HB2  LYS 101           1HB      LYS 101 -21.136 -11.598  -9.967
  798    HB3  LYS 101           2HB      LYS 101 -19.593 -11.054 -10.621
  799    HG2  LYS 101           1HG      LYS 101 -18.448 -12.928  -9.376
  800    HG3  LYS 101           2HG      LYS 101 -20.032 -13.512  -8.854
  801    HD2  LYS 101           1HD      LYS 101 -19.106 -13.246 -11.747
  802    HD3  LYS 101           2HD      LYS 101 -19.130 -14.742 -10.804
  803    HE2  LYS 101           1HE      LYS 101 -21.603 -14.526 -10.529
  804    HE3  LYS 101           2HE      LYS 101 -21.577 -13.058 -11.518
  805    HZ1  LYS 101           3HZ      LYS 101 -22.153 -14.999 -12.840
  806    HZ2  LYS 101           1HZ      LYS 101 -20.730 -14.395 -13.365
  807    HZ3  LYS 101           2HZ      LYS 101 -20.758 -15.753 -12.453
  808    H    LYS 102           H        LYS 102 -18.836 -12.098  -6.654
  809    HA   LYS 102           HA       LYS 102 -21.082 -13.123  -5.251
  810    HB2  LYS 102           1HB      LYS 102 -18.718 -13.936  -5.230
  811    HB3  LYS 102           2HB      LYS 102 -18.266 -12.555  -4.226
  812    HG2  LYS 102           1HG      LYS 102 -19.786 -13.346  -2.436
  813    HG3  LYS 102           2HG      LYS 102 -20.302 -14.700  -3.451
  814    HD2  LYS 102           1HD      LYS 102 -17.456 -14.213  -2.455
  815    HD3  LYS 102           2HD      LYS 102 -18.630 -15.302  -1.702
  816    HE2  LYS 102           1HE      LYS 102 -18.754 -16.622  -3.821
  817    HE3  LYS 102           2HE      LYS 102 -17.526 -15.569  -4.539
  818    HZ1  LYS 102           3HZ      LYS 102 -16.540 -17.585  -3.634
  819    HZ2  LYS 102           1HZ      LYS 102 -15.984 -16.294  -2.802
  820    HZ3  LYS 102           2HZ      LYS 102 -17.119 -17.272  -2.142
  821    H    GLY 103           H        GLY 103 -19.714  -9.912  -5.118
  822    HA2  GLY 103           1HA      GLY 103 -20.957  -9.092  -2.609
  823    HA3  GLY 103           2HA      GLY 103 -20.192  -8.058  -3.844
  824    H    VAL 104           H        VAL 104 -22.286  -9.591  -5.717
  825    HA   VAL 104           HA       VAL 104 -24.303  -7.450  -5.569
  826    HB   VAL 104           HB       VAL 104 -24.116  -9.810  -7.487
  827   HG11  VAL 104          1HG1      VAL 104 -26.423  -8.963  -7.365
  828   HG12  VAL 104          2HG1      VAL 104 -25.845  -7.295  -7.573
  829   HG13  VAL 104          3HG1      VAL 104 -25.682  -8.477  -8.891
  830   HG21  VAL 104          3HG2      VAL 104 -23.296  -8.126  -9.115
  831   HG22  VAL 104          1HG2      VAL 104 -23.306  -6.884  -7.843
  832   HG23  VAL 104          2HG2      VAL 104 -22.191  -8.262  -7.747
  833    H    SER 105           H        SER 105 -26.103  -7.579  -4.453
  834    HA   SER 105           HA       SER 105 -27.746  -9.952  -4.058
  835    HB2  SER 105           1HB      SER 105 -26.099  -8.791  -1.775
  836    HB3  SER 105           2HB      SER 105 -27.638  -9.611  -1.493
  837    HG   SER 105           HG       SER 105 -25.464 -10.802  -2.897
  838    H    GLY 106           H        GLY 106 -29.762  -9.396  -2.893
  839    HA2  GLY 106           1HA      GLY 106 -30.774  -6.800  -3.650
  840    HA3  GLY 106           2HA      GLY 106 -31.648  -8.038  -2.734
  841    HA   PRO 107           HA       PRO 107 -29.876  -4.526   0.031
  842    HB2  PRO 107           1HB      PRO 107 -31.699  -2.498  -0.038
  843    HB3  PRO 107           2HB      PRO 107 -30.401  -2.669  -1.259
  844    HG2  PRO 107           1HG      PRO 107 -33.289  -3.591  -1.474
  845    HG3  PRO 107           2HG      PRO 107 -32.343  -2.632  -2.658
  846    HD2  PRO 107           1HD      PRO 107 -32.623  -5.339  -2.883
  847    HD3  PRO 107           2HD      PRO 107 -31.098  -4.515  -3.333
  848    H    SER 108           H        SER 108 -30.422  -4.309   2.203
  849    HA   SER 108           HA       SER 108 -32.784  -5.774   3.203
  850    HB2  SER 108           1HB      SER 108 -31.616  -5.503   5.385
  851    HB3  SER 108           2HB      SER 108 -30.651  -6.327   4.154
  852    HG   SER 108           HG       SER 108 -29.436  -4.723   5.302
  853    H    SER 109           H        SER 109 -32.366  -2.661   2.215
  854    HA   SER 109           HA       SER 109 -33.316  -1.034   4.332
  855    HB2  SER 109           1HB      SER 109 -33.650  -0.603   1.339
  856    HB3  SER 109           2HB      SER 109 -33.661   0.642   2.595
  857    HG   SER 109           HG       SER 109 -31.456   0.231   2.978
  858    H    GLY 110           H        GLY 110 -35.292  -0.301   4.979
  859    HA2  GLY 110           1HA      GLY 110 -37.748  -0.377   3.581
  860    HA3  GLY 110           2HA      GLY 110 -37.672  -1.834   4.575
  861   H5'1  ATP 201          H5"       ATP 111  12.470 -13.861   5.633
  862   H5'2  ATP 201          H5'       ATP 111  12.095 -12.493   6.681
  863    H4'  ATP 201           H4'      ATP 111  10.286 -14.275   6.277
  864    H3'  ATP 201           H3'      ATP 111  10.107 -12.844   3.603
  865   HO3'  ATP 201          H3T       ATP 111  11.179 -14.751   3.365
  866    H2'  ATP 201           H2'      ATP 111   7.791 -13.329   3.656
  867   HO2'  ATP 201          2HO       ATP 111   8.240 -15.553   4.593
  868    H1'  ATP 201           H1'      ATP 111   7.490 -12.799   6.371
  869    H8   ATP 201           8H       ATP 111   9.646 -10.541   4.029
  870   HN61  ATP 201          2H6       ATP 111   6.026  -7.211   3.131
  871   HN62  ATP 201          1H6       ATP 111   4.426  -7.099   3.857
  872    H2   ATP 201           2H       ATP 111   3.753 -10.307   6.581
  Start of MODEL    6
    1    HA   PRO   1           HA       PRO   1 -40.718  -2.784   2.489
    2    HB2  PRO   1           1HB      PRO   1 -40.438  -5.010   4.514
    3    HB3  PRO   1           2HB      PRO   1 -39.312  -4.501   3.223
    4    HG2  PRO   1           1HG      PRO   1 -39.347  -3.631   5.973
    5    HG3  PRO   1           2HG      PRO   1 -38.351  -2.928   4.666
    6    HD2  PRO   1           1HD      PRO   1 -40.387  -1.538   5.964
    7    HD3  PRO   1           2HD      PRO   1 -39.790  -1.187   4.326
    8    H    SER   2           H        SER   2 -41.363  -4.468   1.058
    9    HA   SER   2           HA       SER   2 -43.546  -6.299   1.615
   10    HB2  SER   2           1HB      SER   2 -45.187  -5.304   0.039
   11    HB3  SER   2           2HB      SER   2 -44.959  -4.367   1.518
   12    HG   SER   2           HG       SER   2 -44.992  -2.990  -0.298
   13    H    SER   3           H        SER   3 -42.990  -4.636  -1.487
   14    HA   SER   3           HA       SER   3 -42.030  -7.133  -2.758
   15    HB2  SER   3           1HB      SER   3 -42.085  -5.754  -4.815
   16    HB3  SER   3           2HB      SER   3 -43.631  -5.783  -3.954
   17    HG   SER   3           HG       SER   3 -43.047  -3.649  -4.642
   18    H    GLY   4           H        GLY   4 -40.592  -4.503  -1.150
   19    HA2  GLY   4           1HA      GLY   4 -37.914  -5.472  -1.460
   20    HA3  GLY   4           2HA      GLY   4 -38.145  -4.044  -2.451
   21    H    SER   5           H        SER   5 -36.448  -3.246  -1.005
   22    HA   SER   5           HA       SER   5 -37.491  -1.747   1.329
   23    HB2  SER   5           1HB      SER   5 -35.051  -3.572   1.420
   24    HB3  SER   5           2HB      SER   5 -35.487  -2.389   2.662
   25    HG   SER   5           HG       SER   5 -36.179  -4.560   3.143
   26    H    SER   6           H        SER   6 -36.351   0.192   1.710
   27    HA   SER   6           HA       SER   6 -34.309   0.985  -0.348
   28    HB2  SER   6           1HB      SER   6 -36.694   2.593   0.625
   29    HB3  SER   6           2HB      SER   6 -35.501   3.097  -0.582
   30    HG   SER   6           HG       SER   6 -37.430   2.296  -1.551
   31    H    GLY   7           H        GLY   7 -34.217   0.377   2.748
   32    HA2  GLY   7           1HA      GLY   7 -33.319   2.947   3.880
   33    HA3  GLY   7           2HA      GLY   7 -33.382   1.381   4.705
   34    H    PHE   8           H        PHE   8 -31.283   3.619   4.150
   35    HA   PHE   8           HA       PHE   8 -28.939   1.855   3.793
   36    HB2  PHE   8           1HB      PHE   8 -29.673   4.373   2.241
   37    HB3  PHE   8           2HB      PHE   8 -28.047   3.757   2.335
   38    HD1  PHE   8           2HD      PHE   8 -27.613   1.294   1.574
   39    HD2  PHE   8           1HD      PHE   8 -31.145   3.546   0.550
   40    HE1  PHE   8           2HE      PHE   8 -28.053  -0.253  -0.318
   41    HE2  PHE   8           1HE      PHE   8 -31.583   1.998  -1.341
   42    HZ   PHE   8           HZ       PHE   8 -30.040   0.093  -1.775
   43    H    LEU   9           H        LEU   9 -26.906   3.078   4.331
   44    HA   LEU   9           HA       LEU   9 -27.090   5.220   6.319
   45    HB2  LEU   9           1HB      LEU   9 -27.731   3.151   7.561
   46    HB3  LEU   9           2HB      LEU   9 -26.248   2.373   7.023
   47    HG   LEU   9           HG       LEU   9 -24.907   3.991   8.349
   48   HD11  LEU   9          1HD1      LEU   9 -26.427   5.947   8.370
   49   HD12  LEU   9          2HD1      LEU   9 -27.620   5.023   9.307
   50   HD13  LEU   9          3HD1      LEU   9 -26.047   5.442  10.018
   51   HD21  LEU   9          3HD2      LEU   9 -25.512   3.092  10.554
   52   HD22  LEU   9          1HD2      LEU   9 -27.093   2.574   9.928
   53   HD23  LEU   9          2HD2      LEU   9 -25.600   1.833   9.311
   54    H    ASP  10           H        ASP  10 -25.055   6.110   6.845
   55    HA   ASP  10           HA       ASP  10 -22.604   5.087   5.584
   56    HB2  ASP  10           1HB      ASP  10 -23.825   6.655   3.963
   57    HB3  ASP  10           2HB      ASP  10 -23.545   7.928   5.158
   58    H    LYS  11           H        LYS  11 -20.752   6.583   6.213
   59    HA   LYS  11           HA       LYS  11 -20.903   7.469   9.050
   60    HB2  LYS  11           1HB      LYS  11 -19.463   5.106   7.805
   61    HB3  LYS  11           2HB      LYS  11 -18.740   5.889   9.182
   62    HG2  LYS  11           1HG      LYS  11 -21.481   5.548   9.912
   63    HG3  LYS  11           2HG      LYS  11 -21.025   4.059   9.078
   64    HD2  LYS  11           1HD      LYS  11 -19.101   3.804  10.631
   65    HD3  LYS  11           2HD      LYS  11 -19.546   5.341  11.424
   66    HE2  LYS  11           1HE      LYS  11 -21.718   4.412  12.096
   67    HE3  LYS  11           2HE      LYS  11 -21.390   2.916  11.206
   68    HZ1  LYS  11           3HZ      LYS  11 -20.945   2.678  13.581
   69    HZ2  LYS  11           1HZ      LYS  11 -19.589   2.435  12.701
   70    HZ3  LYS  11           2HZ      LYS  11 -19.795   3.844  13.527
   71    HA   PRO  12           HA       PRO  12 -18.065  10.595   8.074
   72    HB2  PRO  12           1HB      PRO  12 -16.567  10.930  10.345
   73    HB3  PRO  12           2HB      PRO  12 -18.315  11.263  10.256
   74    HG2  PRO  12           1HG      PRO  12 -16.929   8.749  11.250
   75    HG3  PRO  12           2HG      PRO  12 -18.224   9.687  12.066
   76    HD2  PRO  12           1HD      PRO  12 -18.751   7.459  10.585
   77    HD3  PRO  12           2HD      PRO  12 -19.879   8.824  10.618
   78    H    THR  13           H        THR  13 -15.679  11.297   8.245
   79    HA   THR  13           HA       THR  13 -13.634   9.297   7.762
   80    HB   THR  13           HB       THR  13 -14.973   9.191   5.650
   81    HG1  THR  13           1HG      THR  13 -13.192   9.109   4.475
   82   HG21  THR  13          3HG2      THR  13 -15.078  11.019   4.134
   83   HG22  THR  13          1HG2      THR  13 -15.631  11.662   5.675
   84   HG23  THR  13          2HG2      THR  13 -13.982  12.018   5.116
   85    H    LEU  14           H        LEU  14 -11.679  10.276   6.889
   86    HA   LEU  14           HA       LEU  14 -11.106  12.874   8.270
   87    HB2  LEU  14           1HB      LEU  14  -9.213  10.577   7.642
   88    HB3  LEU  14           2HB      LEU  14  -8.867  11.996   8.608
   89    HG   LEU  14           HG       LEU  14 -11.190  10.728   9.793
   90   HD11  LEU  14          1HD1      LEU  14 -10.531   8.686   8.582
   91   HD12  LEU  14          2HD1      LEU  14  -8.906   8.775   9.302
   92   HD13  LEU  14          3HD1      LEU  14 -10.329   8.507  10.334
   93   HD21  LEU  14          3HD2      LEU  14  -9.721  10.498  11.742
   94   HD22  LEU  14          1HD2      LEU  14  -8.292  10.823  10.735
   95   HD23  LEU  14          2HD2      LEU  14  -9.515  12.090  10.988
   96    H    LEU  15           H        LEU  15 -11.547  11.603   5.216
   97    HA   LEU  15           HA       LEU  15  -9.354  13.055   3.865
   98    HB2  LEU  15           1HB      LEU  15 -11.584  11.439   2.593
   99    HB3  LEU  15           2HB      LEU  15 -10.062  11.933   1.873
  100    HG   LEU  15           HG       LEU  15 -10.439   9.837   4.053
  101   HD11  LEU  15          1HD1      LEU  15 -11.089   9.163   1.758
  102   HD12  LEU  15          2HD1      LEU  15  -9.481   9.631   1.164
  103   HD13  LEU  15          3HD1      LEU  15  -9.653   8.289   2.315
  104   HD21  LEU  15          3HD2      LEU  15  -7.999   9.393   3.795
  105   HD22  LEU  15          1HD2      LEU  15  -7.853  10.841   2.775
  106   HD23  LEU  15          2HD2      LEU  15  -8.316  10.986   4.488
  107    H    SER  16           H        SER  16 -10.286  13.845   1.572
  108    HA   SER  16           HA       SER  16 -11.961  16.216   2.139
  109    HB2  SER  16           1HB      SER  16  -9.771  15.460   0.202
  110    HB3  SER  16           2HB      SER  16 -10.810  16.795  -0.139
  111    HG   SER  16           HG       SER  16  -8.893  17.438   1.023
  112    HA   PRO  17           HA       PRO  17 -15.265  14.906  -0.474
  113    HB2  PRO  17           1HB      PRO  17 -15.926  17.169  -1.893
  114    HB3  PRO  17           2HB      PRO  17 -16.255  16.955  -0.147
  115    HG2  PRO  17           1HG      PRO  17 -13.894  18.372  -1.434
  116    HG3  PRO  17           2HG      PRO  17 -14.948  18.956  -0.101
  117    HD2  PRO  17           1HD      PRO  17 -12.561  17.819   0.421
  118    HD3  PRO  17           2HD      PRO  17 -13.983  17.484   1.455
  119    H    GLU  18           H        GLU  18 -12.432  16.302  -2.020
  120    HA   GLU  18           HA       GLU  18 -13.101  15.195  -4.655
  121    HB2  GLU  18           1HB      GLU  18 -11.034  16.222  -5.406
  122    HB3  GLU  18           2HB      GLU  18 -12.049  17.369  -4.537
  123    HG2  GLU  18           1HG      GLU  18 -10.630  17.112  -2.514
  124    HG3  GLU  18           2HG      GLU  18  -9.612  15.947  -3.369
  125    H    GLU  19           H        GLU  19 -11.680  13.870  -1.859
  126    HA   GLU  19           HA       GLU  19  -9.969  11.907  -3.267
  127    HB2  GLU  19           1HB      GLU  19 -10.688  12.451  -0.371
  128    HB3  GLU  19           2HB      GLU  19  -9.912  10.963  -0.845
  129    HG2  GLU  19           1HG      GLU  19  -8.820  13.753  -1.363
  130    HG3  GLU  19           2HG      GLU  19  -8.385  12.725   0.007
  131    H    LEU  20           H        LEU  20 -12.821  11.993  -1.177
  132    HA   LEU  20           HA       LEU  20 -13.560   9.266  -1.258
  133    HB2  LEU  20           1HB      LEU  20 -15.323  11.734  -0.978
  134    HB3  LEU  20           2HB      LEU  20 -15.757  10.123  -0.431
  135    HG   LEU  20           HG       LEU  20 -13.256  11.466   0.679
  136   HD11  LEU  20          1HD1      LEU  20 -15.125  13.063   0.753
  137   HD12  LEU  20          2HD1      LEU  20 -16.077  11.896   1.695
  138   HD13  LEU  20          3HD1      LEU  20 -14.556  12.569   2.361
  139   HD21  LEU  20          3HD2      LEU  20 -13.662  10.058   2.586
  140   HD22  LEU  20          1HD2      LEU  20 -15.216   9.500   1.922
  141   HD23  LEU  20          2HD2      LEU  20 -13.685   9.048   1.137
  142    H    LYS  21           H        LYS  21 -14.924  11.992  -3.126
  143    HA   LYS  21           HA       LYS  21 -16.528  10.407  -4.893
  144    HB2  LYS  21           1HB      LYS  21 -15.368  13.187  -5.040
  145    HB3  LYS  21           2HB      LYS  21 -16.092  12.487  -6.472
  146    HG2  LYS  21           1HG      LYS  21 -17.654  13.895  -5.170
  147    HG3  LYS  21           2HG      LYS  21 -18.231  12.260  -5.493
  148    HD2  LYS  21           1HD      LYS  21 -17.833  11.570  -3.205
  149    HD3  LYS  21           2HD      LYS  21 -17.000  13.092  -2.840
  150    HE2  LYS  21           1HE      LYS  21 -19.098  14.347  -3.303
  151    HE3  LYS  21           2HE      LYS  21 -19.924  12.832  -3.683
  152    HZ1  LYS  21           3HZ      LYS  21 -20.365  13.528  -1.408
  153    HZ2  LYS  21           1HZ      LYS  21 -19.539  12.119  -1.387
  154    HZ3  LYS  21           2HZ      LYS  21 -18.776  13.525  -1.034
  155    H    ALA  22           H        ALA  22 -13.049  11.167  -5.132
  156    HA   ALA  22           HA       ALA  22 -12.755  10.099  -7.822
  157    HB1  ALA  22           1HB      ALA  22 -11.193  11.756  -6.945
  158    HB2  ALA  22           2HB      ALA  22 -10.701  10.670  -5.630
  159    HB3  ALA  22           3HB      ALA  22 -10.329  10.257  -7.315
  160    H    ALA  23           H        ALA  23 -12.208   8.706  -4.551
  161    HA   ALA  23           HA       ALA  23 -11.420   6.097  -5.473
  162    HB1  ALA  23           1HB      ALA  23 -10.986   7.005  -3.196
  163    HB2  ALA  23           2HB      ALA  23 -12.731   6.967  -2.849
  164    HB3  ALA  23           3HB      ALA  23 -11.842   5.454  -3.133
  165    H    SER  24           H        SER  24 -14.604   7.402  -4.485
  166    HA   SER  24           HA       SER  24 -16.105   5.006  -4.806
  167    HB2  SER  24           1HB      SER  24 -16.736   7.050  -3.530
  168    HB3  SER  24           2HB      SER  24 -17.068   7.873  -5.065
  169    HG   SER  24           HG       SER  24 -18.963   6.927  -4.098
  170    H    ARG  25           H        ARG  25 -15.160   7.420  -7.242
  171    HA   ARG  25           HA       ARG  25 -16.838   6.557  -9.369
  172    HB2  ARG  25           1HB      ARG  25 -15.397   8.639  -9.229
  173    HB3  ARG  25           2HB      ARG  25 -14.006   7.630  -9.604
  174    HG2  ARG  25           1HG      ARG  25 -14.788   8.762 -11.581
  175    HG3  ARG  25           2HG      ARG  25 -15.045   7.032 -11.791
  176    HD2  ARG  25           1HD      ARG  25 -17.446   7.309 -11.297
  177    HD3  ARG  25           2HD      ARG  25 -17.184   9.029 -10.926
  178    HE   ARG  25           HE       ARG  25 -16.239   8.448 -13.563
  179   HH11  ARG  25          1HH1      ARG  25 -19.318   8.829 -11.856
  180   HH12  ARG  25          2HH1      ARG  25 -20.158   9.329 -13.293
  181   HH21  ARG  25          1HH2      ARG  25 -17.385   9.100 -15.378
  182   HH22  ARG  25          2HH2      ARG  25 -19.076   9.478 -15.258
  183    H    GLY  26           H        GLY  26 -13.932   5.137  -8.022
  184    HA2  GLY  26           1HA      GLY  26 -13.678   3.012 -10.089
  185    HA3  GLY  26           2HA      GLY  26 -12.714   3.201  -8.599
  186    H    ASN  27           H        ASN  27 -14.091   3.046  -6.551
  187    HA   ASN  27           HA       ASN  27 -16.538   1.587  -6.551
  188    HB2  ASN  27           1HB      ASN  27 -15.037  -0.344  -7.114
  189    HB3  ASN  27           2HB      ASN  27 -14.139  -0.044  -5.630
  190   HD21  ASN  27          2HD2      ASN  27 -14.656  -1.907  -4.466
  191   HD22  ASN  27          1HD2      ASN  27 -16.307  -2.319  -4.011
  192    H    GLY  28           H        GLY  28 -13.730   2.731  -4.716
  193    HA2  GLY  28           1HA      GLY  28 -13.957   4.209  -2.860
  194    HA3  GLY  28           2HA      GLY  28 -15.490   3.442  -2.402
  195    H    GLU  29           H        GLU  29 -13.470   0.938  -3.094
  196    HA   GLU  29           HA       GLU  29 -12.617   0.484  -0.295
  197    HB2  GLU  29           1HB      GLU  29 -13.412  -1.184  -2.517
  198    HB3  GLU  29           2HB      GLU  29 -11.769  -1.561  -2.101
  199    HG2  GLU  29           1HG      GLU  29 -13.341  -2.980  -0.832
  200    HG3  GLU  29           2HG      GLU  29 -12.424  -1.946   0.258
  201    H    TYR  30           H        TYR  30 -10.411  -0.802  -0.254
  202    HA   TYR  30           HA       TYR  30  -8.286  -0.018  -1.989
  203    HB2  TYR  30           1HB      TYR  30  -7.039   1.454  -0.569
  204    HB3  TYR  30           2HB      TYR  30  -8.607   2.169  -0.858
  205    HD1  TYR  30           2HD      TYR  30 -10.458   1.709   0.961
  206    HD2  TYR  30           1HD      TYR  30  -6.240   1.134   1.632
  207    HE1  TYR  30           2HE      TYR  30 -10.825   1.895   3.431
  208    HE2  TYR  30           1HE      TYR  30  -6.595   1.301   4.091
  209    HH   TYR  30           HH       TYR  30  -8.126   1.608   5.784
  210    H    ALA  31           H        ALA  31  -6.320  -0.945  -1.495
  211    HA   ALA  31           HA       ALA  31  -5.861  -2.482   0.967
  212    HB1  ALA  31           1HB      ALA  31  -7.040  -4.179  -0.213
  213    HB2  ALA  31           2HB      ALA  31  -6.326  -3.739  -1.774
  214    HB3  ALA  31           3HB      ALA  31  -5.342  -4.543  -0.524
  215    H    TRP  32           H        TRP  32  -3.682  -3.161   1.167
  216    HA   TRP  32           HA       TRP  32  -1.721  -1.879  -0.703
  217    HB2  TRP  32           1HB      TRP  32  -1.564  -2.472   2.263
  218    HB3  TRP  32           2HB      TRP  32  -0.146  -2.208   1.276
  219    HD1  TRP  32           HD       TRP  32  -3.363  -0.189   2.099
  220    HE1  TRP  32           1HE      TRP  32  -2.717   2.316   2.179
  221    HE3  TRP  32           3HE      TRP  32   1.563  -0.540   0.705
  222    HZ2  TRP  32           2HZ      TRP  32  -0.274   3.860   2.151
  223    HZ3  TRP  32           3HZ      TRP  32   2.989   1.508   0.695
  224    HH2  TRP  32           HH       TRP  32   2.080   3.655   1.438
  225    H    TYR  33           H        TYR  33   0.076  -3.034  -1.325
  226    HA   TYR  33           HA       TYR  33   0.150  -5.976  -0.878
  227    HB2  TYR  33           1HB      TYR  33   0.063  -4.523  -3.544
  228    HB3  TYR  33           2HB      TYR  33   0.656  -6.159  -3.381
  229    HD1  TYR  33           1HD      TYR  33  -2.416  -4.052  -2.858
  230    HD2  TYR  33           2HD      TYR  33  -0.789  -7.985  -3.569
  231    HE1  TYR  33           1HE      TYR  33  -4.712  -4.939  -3.188
  232    HE2  TYR  33           2HE      TYR  33  -3.085  -8.869  -3.921
  233    HH   TYR  33           HH       TYR  33  -5.997  -6.787  -3.681
  234    H    TYR  34           H        TYR  34   2.174  -6.964  -1.387
  235    HA   TYR  34           HA       TYR  34   4.521  -5.180  -1.828
  236    HB2  TYR  34           1HB      TYR  34   5.791  -6.305  -0.137
  237    HB3  TYR  34           2HB      TYR  34   4.351  -5.616   0.574
  238    HD1  TYR  34           1HD      TYR  34   2.456  -7.102   1.311
  239    HD2  TYR  34           2HD      TYR  34   6.197  -8.699  -0.128
  240    HE1  TYR  34           1HE      TYR  34   1.891  -9.310   2.300
  241    HE2  TYR  34           2HE      TYR  34   5.640 -10.904   0.866
  242    HH   TYR  34           HH       TYR  34   4.084 -12.140   2.030
  243    H    GLU  35           H        GLU  35   6.255  -6.084  -2.937
  244    HA   GLU  35           HA       GLU  35   5.699  -8.413  -4.627
  245    HB2  GLU  35           1HB      GLU  35   7.907  -6.389  -4.373
  246    HB3  GLU  35           2HB      GLU  35   8.306  -7.941  -5.102
  247    HG2  GLU  35           1HG      GLU  35   5.852  -6.497  -6.065
  248    HG3  GLU  35           2HG      GLU  35   7.439  -5.940  -6.590
  249    H    GLY  36           H        GLY  36   5.616 -10.270  -3.692
  250    HA2  GLY  36           1HA      GLY  36   7.711 -11.219  -1.775
  251    HA3  GLY  36           2HA      GLY  36   6.180 -12.028  -2.167
  252    H    ARG  37           H        ARG  37   7.833 -13.794  -2.317
  253    HA   ARG  37           HA       ARG  37   9.739 -13.804  -4.434
  254    HB2  ARG  37           1HB      ARG  37   9.748 -14.963  -2.211
  255    HB3  ARG  37           2HB      ARG  37   8.673 -16.189  -2.873
  256    HG2  ARG  37           1HG      ARG  37  10.333 -17.004  -4.360
  257    HG3  ARG  37           2HG      ARG  37  11.289 -15.520  -4.284
  258    HD2  ARG  37           1HD      ARG  37  10.956 -17.443  -1.940
  259    HD3  ARG  37           2HD      ARG  37  12.305 -17.466  -3.072
  260    HE   ARG  37           HE       ARG  37  13.061 -15.340  -2.304
  261   HH11  ARG  37          1HH1      ARG  37  10.456 -16.564  -0.158
  262   HH12  ARG  37          2HH1      ARG  37  10.803 -15.256   0.982
  263   HH21  ARG  37          1HH2      ARG  37  13.350 -13.785  -0.603
  264   HH22  ARG  37          2HH2      ARG  37  12.271 -13.914   0.769
  265    H    ASN  38           H        ASN  38   6.412 -14.804  -4.408
  266    HA   ASN  38           HA       ASN  38   6.637 -15.969  -7.155
  267    HB2  ASN  38           1HB      ASN  38   4.577 -16.390  -4.970
  268    HB3  ASN  38           2HB      ASN  38   4.449 -17.060  -6.594
  269   HD21  ASN  38          2HD2      ASN  38   5.032 -18.156  -3.651
  270   HD22  ASN  38          1HD2      ASN  38   6.305 -19.314  -3.982
  271    H    GLY  39           H        GLY  39   5.582 -13.095  -5.670
  272    HA2  GLY  39           1HA      GLY  39   4.972 -11.556  -7.753
  273    HA3  GLY  39           2HA      GLY  39   3.462 -12.452  -7.633
  274    H    TRP  40           H        TRP  40   2.719 -10.125  -7.318
  275    HA   TRP  40           HA       TRP  40   3.082  -8.795  -4.816
  276    HB2  TRP  40           1HB      TRP  40   0.769  -8.715  -6.783
  277    HB3  TRP  40           2HB      TRP  40   0.985  -7.615  -5.432
  278    HD1  TRP  40           HD       TRP  40   2.072  -8.204  -8.962
  279    HE1  TRP  40           1HE      TRP  40   3.611  -6.336  -9.771
  280    HE3  TRP  40           3HE      TRP  40   2.899  -5.855  -4.489
  281    HZ2  TRP  40           2HZ      TRP  40   4.936  -4.014  -8.645
  282    HZ3  TRP  40           3HZ      TRP  40   4.311  -3.826  -4.390
  283    HH2  TRP  40           HH       TRP  40   5.324  -2.875  -6.448
  284    H    TRP  41           H        TRP  41   2.308  -9.231  -2.843
  285    HA   TRP  41           HA       TRP  41  -0.157 -10.889  -2.518
  286    HB2  TRP  41           1HB      TRP  41   2.355 -10.978  -0.810
  287    HB3  TRP  41           2HB      TRP  41   0.863 -11.880  -0.516
  288    HD1  TRP  41           HD       TRP  41   4.120 -12.571  -1.748
  289    HE1  TRP  41           1HE      TRP  41   4.213 -14.451  -3.484
  290    HE3  TRP  41           3HE      TRP  41  -0.880 -12.982  -2.782
  291    HZ2  TRP  41           2HZ      TRP  41   2.394 -15.726  -5.339
  292    HZ3  TRP  41           3HZ      TRP  41  -1.673 -14.518  -4.521
  293    HH2  TRP  41           HH       TRP  41  -0.052 -15.897  -5.837
  294    H    GLN  42           H        GLN  42  -1.573 -10.338  -0.900
  295    HA   GLN  42           HA       GLN  42  -1.614  -7.470  -0.397
  296    HB2  GLN  42           1HB      GLN  42  -3.560  -8.981  -1.148
  297    HB3  GLN  42           2HB      GLN  42  -3.646  -9.525   0.532
  298    HG2  GLN  42           1HG      GLN  42  -3.904  -7.077   1.197
  299    HG3  GLN  42           2HG      GLN  42  -3.991  -6.672  -0.511
  300   HE21  GLN  42          2HE2      GLN  42  -6.021  -6.491   1.804
  301   HE22  GLN  42          1HE2      GLN  42  -7.432  -7.307   1.150
  302    H    TYR  43           H        TYR  43  -1.483  -6.376   1.521
  303    HA   TYR  43           HA       TYR  43  -0.395  -7.643   3.922
  304    HB2  TYR  43           1HB      TYR  43  -1.317  -4.865   3.159
  305    HB3  TYR  43           2HB      TYR  43  -0.944  -5.263   4.828
  306    HD1  TYR  43           1HD      TYR  43   1.363  -6.046   5.475
  307    HD2  TYR  43           2HD      TYR  43   0.455  -4.402   1.607
  308    HE1  TYR  43           1HE      TYR  43   3.763  -5.506   5.142
  309    HE2  TYR  43           2HE      TYR  43   2.843  -3.829   1.268
  310    HH   TYR  43           HH       TYR  43   4.954  -3.934   2.141
  311    H    ASP  44           H        ASP  44  -1.376  -7.662   5.980
  312    HA   ASP  44           HA       ASP  44  -4.149  -8.439   6.150
  313    HB2  ASP  44           1HB      ASP  44  -2.378  -9.324   7.599
  314    HB3  ASP  44           2HB      ASP  44  -2.094  -7.717   8.277
  315    H    GLU  45           H        GLU  45  -5.800  -7.370   7.518
  316    HA   GLU  45           HA       GLU  45  -6.222  -4.645   6.658
  317    HB2  GLU  45           1HB      GLU  45  -8.323  -4.881   8.015
  318    HB3  GLU  45           2HB      GLU  45  -8.107  -6.077   6.737
  319    HG2  GLU  45           1HG      GLU  45  -7.516  -7.808   8.317
  320    HG3  GLU  45           2HG      GLU  45  -7.382  -6.648   9.635
  321    H    ARG  46           H        ARG  46  -4.824  -6.028   9.566
  322    HA   ARG  46           HA       ARG  46  -5.090  -3.470  11.041
  323    HB2  ARG  46           1HB      ARG  46  -3.599  -5.932  11.952
  324    HB3  ARG  46           2HB      ARG  46  -4.240  -4.612  12.922
  325    HG2  ARG  46           1HG      ARG  46  -5.773  -6.883  11.623
  326    HG3  ARG  46           2HG      ARG  46  -5.672  -6.452  13.324
  327    HD2  ARG  46           1HD      ARG  46  -6.996  -4.361  12.828
  328    HD3  ARG  46           2HD      ARG  46  -7.085  -4.875  11.132
  329    HE   ARG  46           HE       ARG  46  -8.742  -6.331  11.586
  330   HH11  ARG  46          1HH1      ARG  46  -7.362  -5.534  14.760
  331   HH12  ARG  46          2HH1      ARG  46  -8.640  -6.366  15.597
  332   HH21  ARG  46          1HH2      ARG  46 -10.278  -7.347  12.675
  333   HH22  ARG  46          2HH2      ARG  46 -10.293  -7.402  14.420
  334    H    THR  47           H        THR  47  -2.887  -4.942   8.881
  335    HA   THR  47           HA       THR  47  -0.577  -3.323   9.796
  336    HB   THR  47           HB       THR  47  -0.734  -5.404   7.581
  337    HG1  THR  47           1HG      THR  47   0.415  -6.608   9.194
  338   HG21  THR  47          3HG2      THR  47   1.786  -5.314   7.842
  339   HG22  THR  47          1HG2      THR  47   1.096  -3.826   7.174
  340   HG23  THR  47          2HG2      THR  47   1.574  -3.883   8.878
  341    H    SER  48           H        SER  48  -2.462  -3.845   6.770
  342    HA   SER  48           HA       SER  48  -1.245  -1.767   5.272
  343    HB2  SER  48           1HB      SER  48  -3.244  -1.870   3.843
  344    HB3  SER  48           2HB      SER  48  -2.583  -3.466   4.205
  345    HG   SER  48           HG       SER  48  -4.267  -3.897   5.552
  346    H    ARG  49           H        ARG  49  -3.891  -1.555   7.620
  347    HA   ARG  49           HA       ARG  49  -4.657   1.110   7.019
  348    HB2  ARG  49           1HB      ARG  49  -5.884   1.103   9.002
  349    HB3  ARG  49           2HB      ARG  49  -5.910  -0.540   8.395
  350    HG2  ARG  49           1HG      ARG  49  -5.581  -0.874  10.654
  351    HG3  ARG  49           2HG      ARG  49  -3.968  -1.029   9.999
  352    HD2  ARG  49           1HD      ARG  49  -4.133   0.209  12.194
  353    HD3  ARG  49           2HD      ARG  49  -3.289   1.063  10.928
  354    HE   ARG  49           HE       ARG  49  -6.154   1.695  11.253
  355   HH11  ARG  49          1HH1      ARG  49  -2.852   2.718  12.120
  356   HH12  ARG  49          2HH1      ARG  49  -3.305   4.416  12.089
  357   HH21  ARG  49          1HH2      ARG  49  -6.646   3.901  11.405
  358   HH22  ARG  49          2HH2      ARG  49  -5.394   5.030  11.845
  359    H    GLU  50           H        GLU  50  -1.809  -0.089   8.732
  360    HA   GLU  50           HA       GLU  50  -1.224   2.434  10.089
  361    HB2  GLU  50           1HB      GLU  50   0.648   0.140   9.365
  362    HB3  GLU  50           2HB      GLU  50   1.016   1.450  10.467
  363    HG2  GLU  50           1HG      GLU  50  -1.284  -0.487  10.971
  364    HG3  GLU  50           2HG      GLU  50   0.369  -0.803  11.478
  365    H    LEU  51           H        LEU  51  -0.349   0.892   7.039
  366    HA   LEU  51           HA       LEU  51   1.601   2.800   6.127
  367    HB2  LEU  51           1HB      LEU  51  -0.148   0.934   4.470
  368    HB3  LEU  51           2HB      LEU  51   1.436   1.570   4.050
  369    HG   LEU  51           HG       LEU  51   0.860  -0.463   6.262
  370   HD11  LEU  51          1HD1      LEU  51   0.539  -1.319   3.982
  371   HD12  LEU  51          2HD1      LEU  51   2.197  -0.829   3.564
  372   HD13  LEU  51          3HD1      LEU  51   1.911  -2.072   4.809
  373   HD21  LEU  51          3HD2      LEU  51   3.359  -0.692   6.297
  374   HD22  LEU  51          1HD2      LEU  51   3.454   0.761   5.272
  375   HD23  LEU  51          2HD2      LEU  51   2.780   0.860   6.912
  376    H    GLU  52           H        GLU  52  -1.873   2.348   5.477
  377    HA   GLU  52           HA       GLU  52  -2.175   4.680   3.843
  378    HB2  GLU  52           1HB      GLU  52  -3.720   2.611   4.074
  379    HB3  GLU  52           2HB      GLU  52  -4.324   3.369   5.541
  380    HG2  GLU  52           1HG      GLU  52  -5.855   3.951   3.870
  381    HG3  GLU  52           2HG      GLU  52  -4.932   5.408   4.113
  382    H    ASP  53           H        ASP  53  -2.137   4.330   7.381
  383    HA   ASP  53           HA       ASP  53  -3.372   6.933   7.837
  384    HB2  ASP  53           1HB      ASP  53  -3.474   4.905   9.337
  385    HB3  ASP  53           2HB      ASP  53  -1.794   5.172   9.761
  386    H    ALA  54           H        ALA  54  -0.145   5.565   7.800
  387    HA   ALA  54           HA       ALA  54   1.402   7.613   8.912
  388    HB1  ALA  54           1HB      ALA  54   2.286   5.440   8.514
  389    HB2  ALA  54           2HB      ALA  54   2.019   5.564   6.759
  390    HB3  ALA  54           3HB      ALA  54   3.265   6.560   7.545
  391    H    PHE  55           H        PHE  55   0.738   7.306   5.355
  392    HA   PHE  55           HA       PHE  55   2.069   9.802   4.777
  393    HB2  PHE  55           1HB      PHE  55   1.609   9.398   2.607
  394    HB3  PHE  55           2HB      PHE  55   1.399   7.770   3.218
  395    HD1  PHE  55           1HD      PHE  55  -0.964   6.912   3.676
  396    HD2  PHE  55           2HD      PHE  55  -0.174  10.572   1.547
  397    HE1  PHE  55           1HE      PHE  55  -3.251   6.846   2.697
  398    HE2  PHE  55           2HE      PHE  55  -2.453  10.495   0.561
  399    HZ   PHE  55           HZ       PHE  55  -3.993   8.626   1.132
  400    H    SER  56           H        SER  56  -1.085   9.032   5.912
  401    HA   SER  56           HA       SER  56  -2.351  11.599   5.302
  402    HB2  SER  56           1HB      SER  56  -3.431   9.247   5.699
  403    HB3  SER  56           2HB      SER  56  -3.307   9.658   7.413
  404    HG   SER  56           HG       SER  56  -5.326  10.311   6.481
  405    H    LYS  57           H        LYS  57  -0.520  10.234   8.038
  406    HA   LYS  57           HA       LYS  57  -0.989  12.471   9.863
  407    HB2  LYS  57           1HB      LYS  57   1.010  10.190   9.736
  408    HB3  LYS  57           2HB      LYS  57   1.028  11.400  11.019
  409    HG2  LYS  57           1HG      LYS  57  -0.940  10.649  11.997
  410    HG3  LYS  57           2HG      LYS  57  -1.562   9.938  10.507
  411    HD2  LYS  57           1HD      LYS  57  -0.871   8.180  12.109
  412    HD3  LYS  57           2HD      LYS  57   0.005   8.126  10.594
  413    HE2  LYS  57           1HE      LYS  57   1.794   7.855  11.971
  414    HE3  LYS  57           2HE      LYS  57   1.808   9.603  11.883
  415    HZ1  LYS  57           3HZ      LYS  57   1.944   8.888  14.191
  416    HZ2  LYS  57           1HZ      LYS  57   0.532   9.676  13.969
  417    HZ3  LYS  57           2HZ      LYS  57   0.549   8.045  14.077
  418    H    GLY  58           H        GLY  58   1.635  11.548   7.612
  419    HA2  GLY  58           1HA      GLY  58   2.542  13.498   6.304
  420    HA3  GLY  58           2HA      GLY  58   2.845  14.293   7.861
  421    H    LYS  59           H        LYS  59   3.538  11.117   8.531
  422    HA   LYS  59           HA       LYS  59   6.393  11.466   8.197
  423    HB2  LYS  59           1HB      LYS  59   6.483   9.047   8.939
  424    HB3  LYS  59           2HB      LYS  59   5.773  10.182  10.074
  425    HG2  LYS  59           1HG      LYS  59   3.544   9.439   9.631
  426    HG3  LYS  59           2HG      LYS  59   4.071   8.573   8.181
  427    HD2  LYS  59           1HD      LYS  59   3.571   7.041  10.043
  428    HD3  LYS  59           2HD      LYS  59   5.230   6.929   9.499
  429    HE2  LYS  59           1HE      LYS  59   5.978   8.334  11.409
  430    HE3  LYS  59           2HE      LYS  59   4.308   8.438  11.980
  431    HZ1  LYS  59           3HZ      LYS  59   5.519   6.681  13.130
  432    HZ2  LYS  59           1HZ      LYS  59   4.346   5.986  12.222
  433    HZ3  LYS  59           2HZ      LYS  59   5.896   5.936  11.726
  434    H    LYS  60           H        LYS  60   7.809  10.264   6.944
  435    HA   LYS  60           HA       LYS  60   6.763   9.578   4.239
  436    HB2  LYS  60           1HB      LYS  60   8.827  10.180   3.383
  437    HB3  LYS  60           2HB      LYS  60   8.490  11.386   4.625
  438    HG2  LYS  60           1HG      LYS  60  10.037  10.106   6.165
  439    HG3  LYS  60           2HG      LYS  60  10.420   9.045   4.792
  440    HD2  LYS  60           1HD      LYS  60  11.051  11.150   3.507
  441    HD3  LYS  60           2HD      LYS  60  10.970  12.032   5.034
  442    HE2  LYS  60           1HE      LYS  60  12.797  10.838   5.969
  443    HE3  LYS  60           2HE      LYS  60  12.608   9.487   4.841
  444    HZ1  LYS  60           3HZ      LYS  60  14.510  10.861   4.251
  445    HZ2  LYS  60           1HZ      LYS  60  13.385  10.853   3.058
  446    HZ3  LYS  60           2HZ      LYS  60  13.552  12.172   4.030
  447    H    ASN  61           H        ASN  61   7.414   7.861   6.940
  448    HA   ASN  61           HA       ASN  61   7.385   5.351   5.660
  449    HB2  ASN  61           1HB      ASN  61   9.537   4.407   6.325
  450    HB3  ASN  61           2HB      ASN  61   9.820   5.761   5.248
  451   HD21  ASN  61          2HD2      ASN  61  10.429   7.815   6.219
  452   HD22  ASN  61          1HD2      ASN  61  11.348   7.827   7.717
  453    H    THR  62           H        THR  62   7.224   3.630   7.196
  454    HA   THR  62           HA       THR  62   6.832   4.342  10.035
  455    HB   THR  62           HB       THR  62   4.726   4.896   8.767
  456    HG1  THR  62           1HG      THR  62   3.546   3.842  10.526
  457   HG21  THR  62          3HG2      THR  62   3.159   3.087   8.327
  458   HG22  THR  62          1HG2      THR  62   4.615   2.826   7.351
  459   HG23  THR  62          2HG2      THR  62   4.343   1.864   8.823
  460    H    GLU  63           H        GLU  63   6.180   2.393  11.336
  461    HA   GLU  63           HA       GLU  63   7.772   0.021  10.420
  462    HB2  GLU  63           1HB      GLU  63   7.498   1.356  13.139
  463    HB3  GLU  63           2HB      GLU  63   8.095  -0.302  12.937
  464    HG2  GLU  63           1HG      GLU  63   9.891   0.455  11.491
  465    HG3  GLU  63           2HG      GLU  63   9.329   2.122  11.572
  466    H    MET  64           H        MET  64   6.989  -1.949  10.681
  467    HA   MET  64           HA       MET  64   4.327  -2.387  11.925
  468    HB2  MET  64           1HB      MET  64   3.642  -3.608   9.836
  469    HB3  MET  64           2HB      MET  64   3.738  -1.856   9.685
  470    HG2  MET  64           1HG      MET  64   5.886  -2.015   8.539
  471    HG3  MET  64           2HG      MET  64   5.978  -3.741   8.860
  472    HE1  MET  64           3HE      MET  64   5.822  -3.530   5.047
  473    HE2  MET  64           1HE      MET  64   6.832  -3.036   6.412
  474    HE3  MET  64           2HE      MET  64   6.247  -4.720   6.297
  475    H    LEU  65           H        LEU  65   3.880  -4.383  12.551
  476    HA   LEU  65           HA       LEU  65   6.085  -6.364  12.670
  477    HB2  LEU  65           1HB      LEU  65   4.504  -5.284  14.708
  478    HB3  LEU  65           2HB      LEU  65   3.648  -6.759  14.344
  479    HG   LEU  65           HG       LEU  65   5.164  -7.088  16.163
  480   HD11  LEU  65          1HD1      LEU  65   4.906  -9.021  14.656
  481   HD12  LEU  65          2HD1      LEU  65   6.386  -8.526  13.797
  482   HD13  LEU  65          3HD1      LEU  65   6.468  -9.002  15.495
  483   HD21  LEU  65          3HD2      LEU  65   7.556  -6.745  16.050
  484   HD22  LEU  65          1HD2      LEU  65   7.462  -6.323  14.329
  485   HD23  LEU  65          2HD2      LEU  65   6.724  -5.256  15.543
  486    H    ILE  66           H        ILE  66   5.802  -8.359  11.986
  487    HA   ILE  66           HA       ILE  66   3.294  -9.089  10.479
  488    HB   ILE  66           HB       ILE  66   4.552 -10.070   8.768
  489   HG12  ILE  66          1HG1      ILE  66   7.225  -9.054   9.318
  490   HG13  ILE  66          2HG1      ILE  66   6.734 -10.065  10.653
  491   HG21  ILE  66          1HG2      ILE  66   3.990  -7.646   8.654
  492   HG22  ILE  66          2HG2      ILE  66   5.638  -7.260   9.189
  493   HG23  ILE  66          3HG2      ILE  66   5.369  -8.127   7.663
  494   HD11  ILE  66          3HD1      ILE  66   7.902 -11.222   8.679
  495   HD12  ILE  66          1HD1      ILE  66   6.439 -11.989   9.301
  496   HD13  ILE  66          2HD1      ILE  66   6.363 -11.027   7.819
  497    H    ALA  67           H        ALA  67   4.300 -11.726   9.791
  498    HA   ALA  67           HA       ALA  67   3.333 -13.281  11.913
  499    HB1  ALA  67           1HB      ALA  67   3.463 -13.928   9.505
  500    HB2  ALA  67           2HB      ALA  67   5.240 -14.019   9.641
  501    HB3  ALA  67           3HB      ALA  67   4.220 -15.149  10.553
  502    H    GLY  68           H        GLY  68   6.514 -11.904  11.718
  503    HA2  GLY  68           1HA      GLY  68   7.270 -12.854  14.289
  504    HA3  GLY  68           2HA      GLY  68   8.046 -13.872  13.098
  505    H    PHE  69           H        PHE  69   7.649 -10.469  12.252
  506    HA   PHE  69           HA       PHE  69  10.458  -9.812  12.881
  507    HB2  PHE  69           1HB      PHE  69   9.415 -10.072  10.028
  508    HB3  PHE  69           2HB      PHE  69  10.934  -9.341  10.470
  509    HD1  PHE  69           1HD      PHE  69  12.836 -10.688  11.289
  510    HD2  PHE  69           2HD      PHE  69   9.158 -12.540  10.001
  511    HE1  PHE  69           1HE      PHE  69  13.999 -12.873  11.095
  512    HE2  PHE  69           2HE      PHE  69  10.325 -14.716   9.804
  513    HZ   PHE  69           HZ       PHE  69  12.746 -14.890  10.350
  514    H    LEU  70           H        LEU  70  11.018  -7.628  12.407
  515    HA   LEU  70           HA       LEU  70   8.716  -5.724  12.251
  516    HB2  LEU  70           1HB      LEU  70  10.379  -5.673  14.235
  517    HB3  LEU  70           2HB      LEU  70  11.579  -5.155  13.064
  518    HG   LEU  70           HG       LEU  70  10.846  -3.276  14.284
  519   HD11  LEU  70          1HD1      LEU  70  11.118  -2.922  11.763
  520   HD12  LEU  70          2HD1      LEU  70   9.338  -2.859  11.701
  521   HD13  LEU  70          3HD1      LEU  70  10.227  -1.685  12.666
  522   HD21  LEU  70          3HD2      LEU  70   8.514  -2.466  14.353
  523   HD22  LEU  70          1HD2      LEU  70   7.980  -3.943  13.528
  524   HD23  LEU  70          2HD2      LEU  70   8.725  -4.037  15.141
  525    H    TYR  71           H        TYR  71   8.442  -4.773  10.407
  526    HA   TYR  71           HA       TYR  71  10.727  -4.378   8.504
  527    HB2  TYR  71           1HB      TYR  71   7.832  -4.931   7.854
  528    HB3  TYR  71           2HB      TYR  71   9.050  -4.489   6.663
  529    HD1  TYR  71           2HD      TYR  71  11.374  -6.245   7.592
  530    HD2  TYR  71           1HD      TYR  71   7.175  -7.055   7.072
  531    HE1  TYR  71           2HE      TYR  71  11.853  -8.674   7.338
  532    HE2  TYR  71           1HE      TYR  71   7.632  -9.445   6.907
  533    HH   TYR  71           HH       TYR  71   9.288 -11.117   6.884
  534    H    VAL  72           H        VAL  72  11.027  -2.451   7.665
  535    HA   VAL  72           HA       VAL  72   9.401  -0.134   8.575
  536    HB   VAL  72           HB       VAL  72  11.972  -0.081   6.995
  537   HG11  VAL  72          1HG1      VAL  72  10.630   2.005   6.883
  538   HG12  VAL  72          2HG1      VAL  72  10.551   2.050   8.660
  539   HG13  VAL  72          3HG1      VAL  72  12.101   2.264   7.828
  540   HG21  VAL  72          3HG2      VAL  72  13.131   0.488   9.126
  541   HG22  VAL  72          1HG2      VAL  72  11.651   0.071  10.014
  542   HG23  VAL  72          2HG2      VAL  72  12.526  -1.170   9.091
  543    H    ALA  73           H        ALA  73   7.989   0.744   7.153
  544    HA   ALA  73           HA       ALA  73   8.044  -0.042   4.259
  545    HB1  ALA  73           1HB      ALA  73   6.074  -0.846   5.503
  546    HB2  ALA  73           2HB      ALA  73   5.756   0.805   6.080
  547    HB3  ALA  73           3HB      ALA  73   5.621   0.420   4.344
  548    H    ASP  74           H        ASP  74   8.664   1.508   2.950
  549    HA   ASP  74           HA       ASP  74   8.812   4.328   3.859
  550    HB2  ASP  74           1HB      ASP  74  10.912   3.177   3.389
  551    HB3  ASP  74           2HB      ASP  74  10.347   2.743   1.780
  552    H    LEU  75           H        LEU  75   7.486   5.748   3.051
  553    HA   LEU  75           HA       LEU  75   5.734   5.225   0.780
  554    HB2  LEU  75           1HB      LEU  75   6.102   7.491   2.786
  555    HB3  LEU  75           2HB      LEU  75   4.977   7.619   1.468
  556    HG   LEU  75           HG       LEU  75   4.753   5.207   3.304
  557   HD11  LEU  75          1HD1      LEU  75   4.813   7.058   4.889
  558   HD12  LEU  75          2HD1      LEU  75   3.690   8.004   3.889
  559   HD13  LEU  75          3HD1      LEU  75   3.138   6.518   4.688
  560   HD21  LEU  75          3HD2      LEU  75   2.389   5.456   2.652
  561   HD22  LEU  75          1HD2      LEU  75   2.812   6.856   1.643
  562   HD23  LEU  75          2HD2      LEU  75   3.479   5.259   1.253
  563    H    GLU  76           H        GLU  76   8.804   6.861   1.183
  564    HA   GLU  76           HA       GLU  76   8.510   8.799  -0.929
  565    HB2  GLU  76           1HB      GLU  76  11.041   7.487   0.155
  566    HB3  GLU  76           2HB      GLU  76  10.964   8.843  -0.945
  567    HG2  GLU  76           1HG      GLU  76   9.469   9.820   1.114
  568    HG3  GLU  76           2HG      GLU  76  10.467   8.689   2.004
  569    H    ASN  77           H        ASN  77  10.074   5.601  -0.834
  570    HA   ASN  77           HA       ASN  77  10.425   5.549  -3.785
  571    HB2  ASN  77           1HB      ASN  77  11.541   3.799  -1.556
  572    HB3  ASN  77           2HB      ASN  77  11.986   3.705  -3.256
  573   HD21  ASN  77          2HD2      ASN  77  12.113   5.847  -0.350
  574   HD22  ASN  77          1HD2      ASN  77  13.546   6.711  -0.905
  575    H    MET  78           H        MET  78   8.268   4.429  -1.487
  576    HA   MET  78           HA       MET  78   6.695   2.786  -1.253
  577    HB2  MET  78           1HB      MET  78   6.828   2.486  -4.265
  578    HB3  MET  78           2HB      MET  78   5.583   1.859  -3.185
  579    HG2  MET  78           1HG      MET  78   5.958   4.771  -2.864
  580    HG3  MET  78           2HG      MET  78   5.589   4.302  -4.512
  581    HE1  MET  78           3HE      MET  78   2.810   3.706  -0.882
  582    HE2  MET  78           1HE      MET  78   4.356   2.843  -1.001
  583    HE3  MET  78           2HE      MET  78   4.332   4.621  -0.885
  584    H    VAL  79           H        VAL  79   8.543   1.732  -0.131
  585    HA   VAL  79           HA       VAL  79   8.947  -1.023  -1.167
  586    HB   VAL  79           HB       VAL  79  11.390  -0.972  -0.711
  587   HG11  VAL  79          1HG1      VAL  79  10.643  -0.759  -3.038
  588   HG12  VAL  79          2HG1      VAL  79  10.640   1.015  -2.873
  589   HG13  VAL  79          3HG1      VAL  79  12.152   0.109  -2.727
  590   HG21  VAL  79          3HG2      VAL  79  12.510   1.316  -0.701
  591   HG22  VAL  79          1HG2      VAL  79  10.939   2.015  -0.354
  592   HG23  VAL  79          2HG2      VAL  79  11.665   0.865   0.788
  593    H    GLN  80           H        GLN  80   9.869  -2.521   0.439
  594    HA   GLN  80           HA       GLN  80   9.777  -1.573   3.238
  595    HB2  GLN  80           1HB      GLN  80   8.588  -3.511   3.973
  596    HB3  GLN  80           2HB      GLN  80   7.677  -2.711   2.714
  597    HG2  GLN  80           1HG      GLN  80   7.390  -4.821   1.949
  598    HG3  GLN  80           2HG      GLN  80   8.915  -4.531   1.134
  599   HE21  GLN  80          2HE2      GLN  80   7.790  -5.643   4.423
  600   HE22  GLN  80          1HE2      GLN  80   8.858  -7.031   4.449
  601    H    TYR  81           H        TYR  81  11.099  -2.575   4.716
  602    HA   TYR  81           HA       TYR  81  13.128  -4.539   3.976
  603    HB2  TYR  81           1HB      TYR  81  15.015  -2.921   4.321
  604    HB3  TYR  81           2HB      TYR  81  14.105  -2.714   2.848
  605    HD1  TYR  81           2HD      TYR  81  14.565  -1.257   6.285
  606    HD2  TYR  81           1HD      TYR  81  13.080  -0.649   2.284
  607    HE1  TYR  81           2HE      TYR  81  14.417   1.181   6.711
  608    HE2  TYR  81           1HE      TYR  81  12.879   1.785   2.726
  609    HH   TYR  81           HH       TYR  81  13.196   3.490   4.253
  610    H    ARG  82           H        ARG  82  14.688  -4.950   5.757
  611    HA   ARG  82           HA       ARG  82  13.505  -4.659   8.456
  612    HB2  ARG  82           1HB      ARG  82  15.942  -6.102   7.351
  613    HB3  ARG  82           2HB      ARG  82  15.644  -5.933   9.088
  614    HG2  ARG  82           1HG      ARG  82  13.504  -7.078   8.901
  615    HG3  ARG  82           2HG      ARG  82  13.651  -7.151   7.139
  616    HD2  ARG  82           1HD      ARG  82  14.138  -9.295   8.258
  617    HD3  ARG  82           2HD      ARG  82  15.467  -8.715   7.254
  618    HE   ARG  82           HE       ARG  82  15.333  -8.765  10.238
  619   HH11  ARG  82          1HH1      ARG  82  17.434  -8.313   7.360
  620   HH12  ARG  82          2HH1      ARG  82  18.861  -8.467   8.337
  621   HH21  ARG  82          1HH2      ARG  82  17.239  -8.908  11.364
  622   HH22  ARG  82          2HH2      ARG  82  18.763  -8.770  10.543
  623    H    ARG  83           H        ARG  83  14.443  -3.526  10.161
  624    HA   ARG  83           HA       ARG  83  15.177  -0.937   9.621
  625    HB2  ARG  83           1HB      ARG  83  15.921  -2.383  12.194
  626    HB3  ARG  83           2HB      ARG  83  15.687  -0.648  11.966
  627    HG2  ARG  83           1HG      ARG  83  13.268  -1.146  11.348
  628    HG3  ARG  83           2HG      ARG  83  13.568  -2.828  11.807
  629    HD2  ARG  83           1HD      ARG  83  12.580  -1.869  13.683
  630    HD3  ARG  83           2HD      ARG  83  14.291  -1.936  14.101
  631    HE   ARG  83           HE       ARG  83  12.655   0.467  13.343
  632   HH11  ARG  83          1HH1      ARG  83  15.738  -0.606  14.766
  633   HH12  ARG  83          2HH1      ARG  83  16.100   1.011  15.291
  634   HH21  ARG  83          1HH2      ARG  83  13.119   2.334  14.017
  635   HH22  ARG  83          2HH2      ARG  83  14.613   2.719  14.867
  636    H    ASN  84           H        ASN  84  17.507  -3.538  10.333
  637    HA   ASN  84           HA       ASN  84  19.806  -1.693  10.117
  638    HB2  ASN  84           1HB      ASN  84  19.517  -3.422  11.936
  639    HB3  ASN  84           2HB      ASN  84  19.781  -4.665  10.712
  640   HD21  ASN  84          2HD2      ASN  84  21.918  -5.328  10.589
  641   HD22  ASN  84          1HD2      ASN  84  23.295  -4.329  11.025
  642    H    GLU  85           H        GLU  85  18.004  -3.316   7.835
  643    HA   GLU  85           HA       GLU  85  20.282  -4.236   6.166
  644    HB2  GLU  85           1HB      GLU  85  18.295  -5.727   6.949
  645    HB3  GLU  85           2HB      GLU  85  17.355  -4.873   5.711
  646    HG2  GLU  85           1HG      GLU  85  19.181  -5.531   4.062
  647    HG3  GLU  85           2HG      GLU  85  19.913  -6.488   5.341
  648    H    HIS  86           H        HIS  86  19.663  -1.472   6.422
  649    HA   HIS  86           HA       HIS  86  17.831  -0.343   4.652
  650    HB2  HIS  86           1HB      HIS  86  19.033   1.744   5.038
  651    HB3  HIS  86           2HB      HIS  86  18.873   0.812   6.525
  652    HD2  HIS  86           2HD      HIS  86  21.097   0.063   7.753
  653    HE1  HIS  86           1HE      HIS  86  23.913   1.612   4.961
  654    HE2  HIS  86           2HE      HIS  86  23.634   0.550   7.261
  655    H    GLY  87           H        GLY  87  20.892  -1.628   3.754
  656    HA2  GLY  87           1HA      GLY  87  21.207  -0.257   1.192
  657    HA3  GLY  87           2HA      GLY  87  22.107  -1.682   1.763
  658    H    ARG  88           H        ARG  88  19.014  -2.692   2.123
  659    HA   ARG  88           HA       ARG  88  18.520  -3.520  -0.688
  660    HB2  ARG  88           1HB      ARG  88  20.015  -5.170   0.306
  661    HB3  ARG  88           2HB      ARG  88  18.962  -5.334   1.720
  662    HG2  ARG  88           1HG      ARG  88  17.190  -6.303   0.371
  663    HG3  ARG  88           2HG      ARG  88  18.093  -5.979  -1.127
  664    HD2  ARG  88           1HD      ARG  88  19.863  -7.515  -0.429
  665    HD3  ARG  88           2HD      ARG  88  19.070  -7.802   1.117
  666    HE   ARG  88           HE       ARG  88  18.234  -8.788  -1.548
  667   HH11  ARG  88          1HH1      ARG  88  17.395  -8.660   1.940
  668   HH12  ARG  88          2HH1      ARG  88  16.337 -10.051   1.759
  669   HH21  ARG  88          1HH2      ARG  88  16.675 -10.395  -1.650
  670   HH22  ARG  88          2HH2      ARG  88  15.789 -10.851  -0.209
  671    H    ARG  89           H        ARG  89  16.384  -3.937  -1.160
  672    HA   ARG  89           HA       ARG  89  14.248  -3.852   0.831
  673    HB2  ARG  89           1HB      ARG  89  13.386  -1.663   0.244
  674    HB3  ARG  89           2HB      ARG  89  15.032  -1.521   0.841
  675    HG2  ARG  89           1HG      ARG  89  15.692  -1.578  -1.729
  676    HG3  ARG  89           2HG      ARG  89  13.988  -1.172  -1.972
  677    HD2  ARG  89           1HD      ARG  89  14.457   0.731  -0.234
  678    HD3  ARG  89           2HD      ARG  89  16.157   0.384  -0.523
  679    HE   ARG  89           HE       ARG  89  15.153   0.653  -3.067
  680   HH11  ARG  89          1HH1      ARG  89  15.180   2.829  -0.273
  681   HH12  ARG  89          2HH1      ARG  89  15.053   4.246  -1.272
  682   HH21  ARG  89          1HH2      ARG  89  14.987   2.529  -4.284
  683   HH22  ARG  89          2HH2      ARG  89  14.865   4.075  -3.492
  684    H    ARG  90           H        ARG  90  12.121  -3.927  -0.054
  685    HA   ARG  90           HA       ARG  90  11.940  -5.044  -2.840
  686    HB2  ARG  90           1HB      ARG  90  10.655  -6.106  -0.290
  687    HB3  ARG  90           2HB      ARG  90  10.422  -6.758  -1.917
  688    HG2  ARG  90           1HG      ARG  90  12.863  -7.271  -2.050
  689    HG3  ARG  90           2HG      ARG  90  13.075  -6.701  -0.391
  690    HD2  ARG  90           1HD      ARG  90  11.327  -9.046  -1.228
  691    HD3  ARG  90           2HD      ARG  90  12.961  -9.156  -0.559
  692    HE   ARG  90           HE       ARG  90  10.961  -7.709   1.081
  693   HH11  ARG  90          1HH1      ARG  90  12.886 -10.808   0.842
  694   HH12  ARG  90          2HH1      ARG  90  12.083 -11.327   2.303
  695   HH21  ARG  90          1HH2      ARG  90  10.255  -8.600   2.972
  696   HH22  ARG  90          2HH2      ARG  90  10.846 -10.213   3.440
  697    H    LYS  91           H        LYS  91  10.171  -4.452  -4.022
  698    HA   LYS  91           HA       LYS  91   8.906  -2.000  -3.480
  699    HB2  LYS  91           1HB      LYS  91   8.619  -4.223  -5.475
  700    HB3  LYS  91           2HB      LYS  91   7.313  -3.069  -5.418
  701    HG2  LYS  91           1HG      LYS  91  10.227  -2.294  -5.801
  702    HG3  LYS  91           2HG      LYS  91   9.118  -2.624  -7.126
  703    HD2  LYS  91           1HD      LYS  91   8.820  -0.409  -5.067
  704    HD3  LYS  91           2HD      LYS  91   9.371  -0.204  -6.716
  705    HE2  LYS  91           1HE      LYS  91   6.578  -1.134  -5.901
  706    HE3  LYS  91           2HE      LYS  91   7.019   0.515  -6.314
  707    HZ1  LYS  91           3HZ      LYS  91   6.083  -0.616  -8.229
  708    HZ2  LYS  91           1HZ      LYS  91   7.639  -0.235  -8.534
  709    HZ3  LYS  91           2HZ      LYS  91   7.233  -1.780  -8.188
  710    H    ILE  92           H        ILE  92   6.903  -1.264  -2.990
  711    HA   ILE  92           HA       ILE  92   4.726  -3.173  -2.311
  712    HB   ILE  92           HB       ILE  92   3.991  -2.006  -0.395
  713   HG12  ILE  92          1HG1      ILE  92   6.095   0.025  -1.045
  714   HG13  ILE  92          2HG1      ILE  92   4.366   0.267  -0.958
  715   HG21  ILE  92          1HG2      ILE  92   5.805  -3.685  -0.094
  716   HG22  ILE  92          2HG2      ILE  92   6.989  -2.360  -0.055
  717   HG23  ILE  92          3HG2      ILE  92   5.733  -2.472   1.190
  718   HD11  ILE  92          3HD1      ILE  92   5.412   1.302   0.939
  719   HD12  ILE  92          1HD1      ILE  92   4.509  -0.117   1.532
  720   HD13  ILE  92          2HD1      ILE  92   6.281  -0.177   1.368
  721    H    LYS  93           H        LYS  93   2.569  -2.102  -2.346
  722    HA   LYS  93           HA       LYS  93   2.315   0.384  -3.849
  723    HB2  LYS  93           1HB      LYS  93   1.222  -0.475  -5.798
  724    HB3  LYS  93           2HB      LYS  93   2.752  -1.330  -5.660
  725    HG2  LYS  93           1HG      LYS  93   1.633  -3.319  -4.798
  726    HG3  LYS  93           2HG      LYS  93   0.091  -2.469  -4.672
  727    HD2  LYS  93           1HD      LYS  93  -0.036  -2.181  -7.084
  728    HD3  LYS  93           2HD      LYS  93   1.510  -3.039  -7.294
  729    HE2  LYS  93           1HE      LYS  93   0.604  -5.095  -6.476
  730    HE3  LYS  93           2HE      LYS  93  -0.814  -4.297  -5.781
  731    HZ1  LYS  93           3HZ      LYS  93  -1.262  -5.487  -7.893
  732    HZ2  LYS  93           1HZ      LYS  93  -1.708  -3.923  -7.925
  733    HZ3  LYS  93           2HZ      LYS  93  -0.332  -4.408  -8.699
  734    H    ARG  94           H        ARG  94   0.005   0.869  -4.375
  735    HA   ARG  94           HA       ARG  94  -1.947  -0.213  -2.376
  736    HB2  ARG  94           1HB      ARG  94  -1.962   2.413  -3.917
  737    HB3  ARG  94           2HB      ARG  94  -3.315   1.786  -2.967
  738    HG2  ARG  94           1HG      ARG  94  -1.862   1.802  -0.924
  739    HG3  ARG  94           2HG      ARG  94  -0.584   2.581  -1.886
  740    HD2  ARG  94           1HD      ARG  94  -2.289   4.387  -2.494
  741    HD3  ARG  94           2HD      ARG  94  -3.408   3.624  -1.363
  742    HE   ARG  94           HE       ARG  94  -2.286   4.505   0.417
  743   HH11  ARG  94          1HH1      ARG  94  -0.132   4.848  -2.394
  744   HH12  ARG  94          2HH1      ARG  94   0.882   6.011  -1.597
  745   HH21  ARG  94          1HH2      ARG  94  -0.995   6.088   1.320
  746   HH22  ARG  94          2HH2      ARG  94   0.415   6.686   0.492
  747    H    ASP  95           H        ASP  95  -3.978  -0.828  -3.161
  748    HA   ASP  95           HA       ASP  95  -4.631  -0.643  -6.006
  749    HB2  ASP  95           1HB      ASP  95  -3.412  -3.022  -5.170
  750    HB3  ASP  95           2HB      ASP  95  -5.142  -3.378  -5.042
  751    H    ILE  96           H        ILE  96  -6.870  -1.918  -6.266
  752    HA   ILE  96           HA       ILE  96  -8.696  -0.989  -4.066
  753    HB   ILE  96           HB       ILE  96  -9.056  -0.637  -7.055
  754   HG12  ILE  96          1HG1      ILE  96  -7.370   0.942  -6.162
  755   HG13  ILE  96          2HG1      ILE  96  -8.814   1.741  -6.753
  756   HG21  ILE  96          1HG2      ILE  96 -11.240  -0.919  -6.069
  757   HG22  ILE  96          2HG2      ILE  96 -10.840   0.115  -4.676
  758   HG23  ILE  96          3HG2      ILE  96 -11.043   0.817  -6.298
  759   HD11  ILE  96          3HD1      ILE  96  -7.873   2.622  -4.554
  760   HD12  ILE  96          1HD1      ILE  96  -9.601   2.212  -4.556
  761   HD13  ILE  96          2HD1      ILE  96  -8.438   1.105  -3.813
  762    H    ILE  97           H        ILE  97 -10.333  -2.237  -3.594
  763    HA   ILE  97           HA       ILE  97 -10.699  -4.866  -4.960
  764    HB   ILE  97           HB       ILE  97 -11.990  -3.838  -2.428
  765   HG12  ILE  97          1HG1      ILE  97 -10.485  -5.809  -1.512
  766   HG13  ILE  97          2HG1      ILE  97  -9.457  -5.409  -2.880
  767   HG21  ILE  97          1HG2      ILE  97 -13.383  -5.454  -3.501
  768   HG22  ILE  97          2HG2      ILE  97 -12.008  -6.562  -3.751
  769   HG23  ILE  97          3HG2      ILE  97 -12.618  -6.219  -2.112
  770   HD11  ILE  97          3HD1      ILE  97  -9.135  -4.263  -0.513
  771   HD12  ILE  97          1HD1      ILE  97  -8.928  -3.284  -1.983
  772   HD13  ILE  97          2HD1      ILE  97 -10.430  -3.188  -1.027
  773    H    ASP  98           H        ASP  98 -12.517  -5.377  -6.059
  774    HA   ASP  98           HA       ASP  98 -14.405  -3.181  -6.682
  775    HB2  ASP  98           1HB      ASP  98 -13.089  -4.269  -8.493
  776    HB3  ASP  98           2HB      ASP  98 -13.891  -5.797  -8.134
  777    H    ILE  99           H        ILE  99 -14.431  -6.289  -5.188
  778    HA   ILE  99           HA       ILE  99 -15.891  -7.392  -3.887
  779    HB   ILE  99           HB       ILE  99 -17.828  -5.105  -4.213
  780   HG12  ILE  99          1HG1      ILE  99 -15.660  -4.349  -3.228
  781   HG13  ILE  99          2HG1      ILE  99 -17.030  -4.189  -2.150
  782   HG21  ILE  99          1HG2      ILE  99 -19.029  -7.017  -3.421
  783   HG22  ILE  99          2HG2      ILE  99 -17.799  -7.357  -2.188
  784   HG23  ILE  99          3HG2      ILE  99 -18.805  -5.899  -2.081
  785   HD11  ILE  99          3HD1      ILE  99 -14.946  -5.021  -1.042
  786   HD12  ILE  99          1HD1      ILE  99 -16.332  -6.097  -0.828
  787   HD13  ILE  99          2HD1      ILE  99 -15.062  -6.513  -1.996
  788    HA   PRO 100           HA       PRO 100 -18.254  -9.547  -7.058
  789    HB2  PRO 100           1HB      PRO 100 -18.736 -11.887  -5.769
  790    HB3  PRO 100           2HB      PRO 100 -17.098 -11.417  -6.302
  791    HG2  PRO 100           1HG      PRO 100 -18.334 -11.113  -3.539
  792    HG3  PRO 100           2HG      PRO 100 -16.728 -11.787  -3.957
  793    HD2  PRO 100           1HD      PRO 100 -17.113  -9.166  -3.171
  794    HD3  PRO 100           2HD      PRO 100 -15.826  -9.651  -4.309
  795    H    LYS 101           H        LYS 101 -20.390 -10.482  -7.328
  796    HA   LYS 101           HA       LYS 101 -22.483  -8.945  -6.125
  797    HB2  LYS 101           1HB      LYS 101 -24.020 -10.343  -7.361
  798    HB3  LYS 101           2HB      LYS 101 -22.647  -9.884  -8.364
  799    HG2  LYS 101           1HG      LYS 101 -21.641 -12.153  -8.000
  800    HG3  LYS 101           2HG      LYS 101 -23.062 -12.605  -7.037
  801    HD2  LYS 101           1HD      LYS 101 -24.525 -12.198  -8.995
  802    HD3  LYS 101           2HD      LYS 101 -23.103 -11.749  -9.962
  803    HE2  LYS 101           1HE      LYS 101 -22.132 -14.009  -9.582
  804    HE3  LYS 101           2HE      LYS 101 -23.547 -14.457  -8.619
  805    HZ1  LYS 101           3HZ      LYS 101 -23.747 -15.241 -10.903
  806    HZ2  LYS 101           1HZ      LYS 101 -24.916 -14.140 -10.607
  807    HZ3  LYS 101           2HZ      LYS 101 -23.608 -13.725 -11.496
  808    H    LYS 102           H        LYS 102 -21.193 -12.094  -5.236
  809    HA   LYS 102           HA       LYS 102 -23.130 -12.847  -3.262
  810    HB2  LYS 102           1HB      LYS 102 -21.438 -14.290  -4.400
  811    HB3  LYS 102           2HB      LYS 102 -20.156 -13.510  -3.464
  812    HG2  LYS 102           1HG      LYS 102 -21.184 -14.348  -1.362
  813    HG3  LYS 102           2HG      LYS 102 -22.488 -15.102  -2.288
  814    HD2  LYS 102           1HD      LYS 102 -19.521 -15.787  -2.510
  815    HD3  LYS 102           2HD      LYS 102 -20.709 -16.682  -1.554
  816    HE2  LYS 102           1HE      LYS 102 -22.015 -17.161  -3.628
  817    HE3  LYS 102           2HE      LYS 102 -20.787 -16.322  -4.585
  818    HZ1  LYS 102           3HZ      LYS 102 -20.409 -18.711  -4.572
  819    HZ2  LYS 102           1HZ      LYS 102 -19.162 -17.966  -3.825
  820    HZ3  LYS 102           2HZ      LYS 102 -20.300 -18.746  -2.943
  821    H    GLY 103           H        GLY 103 -20.583 -10.462  -3.139
  822    HA2  GLY 103           1HA      GLY 103 -20.440 -10.285  -0.210
  823    HA3  GLY 103           2HA      GLY 103 -19.612  -9.267  -1.415
  824    H    VAL 104           H        VAL 104 -22.544  -8.935  -2.556
  825    HA   VAL 104           HA       VAL 104 -22.968  -6.342  -1.318
  826    HB   VAL 104           HB       VAL 104 -24.752  -7.852  -3.274
  827   HG11  VAL 104          1HG1      VAL 104 -26.039  -6.111  -2.085
  828   HG12  VAL 104          2HG1      VAL 104 -24.764  -4.918  -2.418
  829   HG13  VAL 104          3HG1      VAL 104 -25.723  -5.605  -3.746
  830   HG21  VAL 104          3HG2      VAL 104 -23.761  -6.335  -4.971
  831   HG22  VAL 104          1HG2      VAL 104 -22.669  -5.665  -3.739
  832   HG23  VAL 104          2HG2      VAL 104 -22.526  -7.363  -4.240
  833    H    SER 105           H        SER 105 -23.739  -6.150   0.644
  834    HA   SER 105           HA       SER 105 -25.996  -7.864   1.644
  835    HB2  SER 105           1HB      SER 105 -23.465  -7.163   3.177
  836    HB3  SER 105           2HB      SER 105 -24.791  -8.200   3.717
  837    HG   SER 105           HG       SER 105 -22.915  -8.696   1.634
  838    H    GLY 106           H        GLY 106 -25.492  -4.792   0.898
  839    HA2  GLY 106           1HA      GLY 106 -26.531  -2.810   1.625
  840    HA3  GLY 106           2HA      GLY 106 -27.076  -3.637   3.097
  841    HA   PRO 107           HA       PRO 107 -23.553  -0.751   4.124
  842    HB2  PRO 107           1HB      PRO 107 -24.718   0.619   6.183
  843    HB3  PRO 107           2HB      PRO 107 -24.977   1.028   4.459
  844    HG2  PRO 107           1HG      PRO 107 -26.763  -0.635   6.262
  845    HG3  PRO 107           2HG      PRO 107 -27.232   0.706   5.174
  846    HD2  PRO 107           1HD      PRO 107 -27.459  -1.905   4.432
  847    HD3  PRO 107           2HD      PRO 107 -26.994  -0.642   3.251
  848    H    SER 108           H        SER 108 -21.962  -1.440   5.440
  849    HA   SER 108           HA       SER 108 -22.234  -2.574   8.065
  850    HB2  SER 108           1HB      SER 108 -23.144  -4.451   6.600
  851    HB3  SER 108           2HB      SER 108 -21.536  -4.566   5.877
  852    HG   SER 108           HG       SER 108 -21.912  -6.032   7.672
  853    H    SER 109           H        SER 109 -19.980  -3.994   8.311
  854    HA   SER 109           HA       SER 109 -17.722  -3.969   8.564
  855    HB2  SER 109           1HB      SER 109 -17.663  -2.620   5.842
  856    HB3  SER 109           2HB      SER 109 -16.321  -3.434   6.645
  857    HG   SER 109           HG       SER 109 -18.776  -4.649   5.836
  858    H    GLY 110           H        GLY 110 -19.280  -1.367   9.309
  859    HA2  GLY 110           1HA      GLY 110 -16.983   0.007  10.483
  860    HA3  GLY 110           2HA      GLY 110 -17.811   0.949   9.241
  861   H5'1  ATP 201          H5"       ATP 111  10.612 -14.996   6.126
  862   H5'2  ATP 201          H5'       ATP 111  10.642 -13.232   6.227
  863    H4'  ATP 201           H4'      ATP 111   8.778 -14.493   7.476
  864    H3'  ATP 201           H3'      ATP 111   8.166 -15.730   5.084
  865   HO3'  ATP 201          H3T       ATP 111   5.938 -15.757   6.068
  866    H2'  ATP 201           H2'      ATP 111   7.618 -13.721   3.919
  867   HO2'  ATP 201          2HO       ATP 111   5.304 -13.629   3.785
  868    H1'  ATP 201           H1'      ATP 111   6.117 -12.794   6.371
  869    H8   ATP 201           8H       ATP 111   8.940 -11.183   4.215
  870   HN61  ATP 201          2H6       ATP 111   6.398  -7.111   3.129
  871   HN62  ATP 201          1H6       ATP 111   4.791  -6.572   3.629
  872    H2   ATP 201           2H       ATP 111   2.993  -9.661   6.081
  Start of MODEL    7
    1    HA   PRO   1           HA       PRO   1 -43.678   8.381   3.797
    2    HB2  PRO   1           1HB      PRO   1 -41.292   7.243   2.331
    3    HB3  PRO   1           2HB      PRO   1 -42.893   6.507   2.638
    4    HG2  PRO   1           1HG      PRO   1 -42.059   8.040   0.333
    5    HG3  PRO   1           2HG      PRO   1 -43.723   7.488   0.681
    6    HD2  PRO   1           1HD      PRO   1 -42.988  10.166   0.629
    7    HD3  PRO   1           2HD      PRO   1 -44.350   9.505   1.563
    8    H    SER   2           H        SER   2 -43.031   7.392   5.731
    9    HA   SER   2           HA       SER   2 -40.973   8.754   7.219
   10    HB2  SER   2           1HB      SER   2 -42.619   6.330   8.012
   11    HB3  SER   2           2HB      SER   2 -41.826   7.479   9.097
   12    HG   SER   2           HG       SER   2 -43.291   9.082   8.427
   13    H    SER   3           H        SER   3 -40.500   6.209   5.113
   14    HA   SER   3           HA       SER   3 -37.891   5.534   6.173
   15    HB2  SER   3           1HB      SER   3 -39.474   4.074   7.530
   16    HB3  SER   3           2HB      SER   3 -39.919   3.274   6.016
   17    HG   SER   3           HG       SER   3 -38.213   2.194   7.177
   18    H    GLY   4           H        GLY   4 -36.882   3.771   4.737
   19    HA2  GLY   4           1HA      GLY   4 -36.429   2.876   2.594
   20    HA3  GLY   4           2HA      GLY   4 -37.797   3.778   1.912
   21    H    SER   5           H        SER   5 -36.745   4.782   0.252
   22    HA   SER   5           HA       SER   5 -34.119   5.887   0.407
   23    HB2  SER   5           1HB      SER   5 -36.269   6.401  -1.676
   24    HB3  SER   5           2HB      SER   5 -34.520   6.613  -1.874
   25    HG   SER   5           HG       SER   5 -35.263   4.609  -2.752
   26    H    SER   6           H        SER   6 -36.634   7.252   1.997
   27    HA   SER   6           HA       SER   6 -36.331  10.056   1.232
   28    HB2  SER   6           1HB      SER   6 -37.785  10.419   3.222
   29    HB3  SER   6           2HB      SER   6 -38.458   9.294   2.035
   30    HG   SER   6           HG       SER   6 -38.674   8.551   4.207
   31    H    GLY   7           H        GLY   7 -34.354   7.973   3.072
   32    HA2  GLY   7           1HA      GLY   7 -32.698  10.237   3.952
   33    HA3  GLY   7           2HA      GLY   7 -33.370   9.283   5.257
   34    H    PHE   8           H        PHE   8 -30.580   9.712   4.308
   35    HA   PHE   8           HA       PHE   8 -29.591   6.936   4.337
   36    HB2  PHE   8           1HB      PHE   8 -28.962   9.125   2.308
   37    HB3  PHE   8           2HB      PHE   8 -27.966   7.723   2.556
   38    HD1  PHE   8           2HD      PHE   8 -29.031   5.365   2.231
   39    HD2  PHE   8           1HD      PHE   8 -30.802   9.020   0.778
   40    HE1  PHE   8           2HE      PHE   8 -30.375   4.067   0.598
   41    HE2  PHE   8           1HE      PHE   8 -32.133   7.720  -0.862
   42    HZ   PHE   8           HZ       PHE   8 -31.923   5.240  -0.958
   43    H    LEU   9           H        LEU   9 -27.275   6.871   4.863
   44    HA   LEU   9           HA       LEU   9 -26.016   9.190   6.128
   45    HB2  LEU   9           1HB      LEU   9 -27.667   8.382   7.806
   46    HB3  LEU   9           2HB      LEU   9 -26.966   6.769   7.716
   47    HG   LEU   9           HG       LEU   9 -24.855   7.635   8.703
   48   HD11  LEU   9          1HD1      LEU   9 -24.916   9.993   7.943
   49   HD12  LEU   9          2HD1      LEU   9 -26.369  10.283   8.921
   50   HD13  LEU   9          3HD1      LEU   9 -24.817   9.915   9.704
   51   HD21  LEU   9          3HD2      LEU   9 -25.742   8.007  10.965
   52   HD22  LEU   9          1HD2      LEU   9 -27.356   8.334  10.296
   53   HD23  LEU   9          2HD2      LEU   9 -26.633   6.718  10.141
   54    H    ASP  10           H        ASP  10 -23.833   8.863   6.642
   55    HA   ASP  10           HA       ASP  10 -22.478   6.312   6.083
   56    HB2  ASP  10           1HB      ASP  10 -22.746   7.626   3.899
   57    HB3  ASP  10           2HB      ASP  10 -21.728   8.864   4.646
   58    H    LYS  11           H        LYS  11 -20.111   6.621   6.415
   59    HA   LYS  11           HA       LYS  11 -19.796   7.655   9.141
   60    HB2  LYS  11           1HB      LYS  11 -18.460   5.616   7.353
   61    HB3  LYS  11           2HB      LYS  11 -17.589   6.186   8.764
   62    HG2  LYS  11           1HG      LYS  11 -20.247   5.595   9.676
   63    HG3  LYS  11           2HG      LYS  11 -19.791   4.280   8.589
   64    HD2  LYS  11           1HD      LYS  11 -17.688   3.959   9.902
   65    HD3  LYS  11           2HD      LYS  11 -18.190   5.281  10.986
   66    HE2  LYS  11           1HE      LYS  11 -20.246   4.007  11.577
   67    HE3  LYS  11           2HE      LYS  11 -19.749   2.697  10.498
   68    HZ1  LYS  11           3HZ      LYS  11 -19.148   2.224  12.795
   69    HZ2  LYS  11           1HZ      LYS  11 -17.788   2.371  11.903
   70    HZ3  LYS  11           2HZ      LYS  11 -18.248   3.583  12.902
   71    HA   PRO  12           HA       PRO  12 -17.076  11.001   8.379
   72    HB2  PRO  12           1HB      PRO  12 -15.476  11.061  10.595
   73    HB3  PRO  12           2HB      PRO  12 -17.228  11.371  10.644
   74    HG2  PRO  12           1HG      PRO  12 -15.755   8.782  11.240
   75    HG3  PRO  12           2HG      PRO  12 -17.031   9.572  12.221
   76    HD2  PRO  12           1HD      PRO  12 -17.541   7.529  10.463
   77    HD3  PRO  12           2HD      PRO  12 -18.728   8.813  10.779
   78    H    THR  13           H        THR  13 -14.676  11.670   8.527
   79    HA   THR  13           HA       THR  13 -12.644   9.738   7.814
   80    HB   THR  13           HB       THR  13 -14.069   9.817   5.721
   81    HG1  THR  13           1HG      THR  13 -12.069   9.248   5.280
   82   HG21  THR  13          3HG2      THR  13 -14.163  11.745   4.369
   83   HG22  THR  13          1HG2      THR  13 -14.620  12.308   5.972
   84   HG23  THR  13          2HG2      THR  13 -12.982  12.631   5.360
   85    H    LEU  14           H        LEU  14 -10.730  10.816   6.918
   86    HA   LEU  14           HA       LEU  14 -10.140  13.355   8.401
   87    HB2  LEU  14           1HB      LEU  14  -8.243  11.078   7.718
   88    HB3  LEU  14           2HB      LEU  14  -7.901  12.473   8.717
   89    HG   LEU  14           HG       LEU  14 -10.213  11.152   9.877
   90   HD11  LEU  14          1HD1      LEU  14  -9.527   9.151   8.613
   91   HD12  LEU  14          2HD1      LEU  14  -7.905   9.244   9.336
   92   HD13  LEU  14          3HD1      LEU  14  -9.322   8.932  10.362
   93   HD21  LEU  14          3HD2      LEU  14  -8.741  10.897  11.818
   94   HD22  LEU  14          1HD2      LEU  14  -7.317  11.265  10.818
   95   HD23  LEU  14          2HD2      LEU  14  -8.557  12.510  11.102
   96    H    LEU  15           H        LEU  15 -10.588  12.134   5.318
   97    HA   LEU  15           HA       LEU  15  -8.383  13.581   3.989
   98    HB2  LEU  15           1HB      LEU  15 -10.671  12.071   2.692
   99    HB3  LEU  15           2HB      LEU  15  -9.142  12.536   1.970
  100    HG   LEU  15           HG       LEU  15  -9.545  10.399   4.106
  101   HD11  LEU  15          1HD1      LEU  15 -10.283   9.794   1.819
  102   HD12  LEU  15          2HD1      LEU  15  -8.681  10.228   1.185
  103   HD13  LEU  15          3HD1      LEU  15  -8.856   8.865   2.312
  104   HD21  LEU  15          3HD2      LEU  15  -7.130   9.885   3.772
  105   HD22  LEU  15          1HD2      LEU  15  -6.966  11.341   2.767
  106   HD23  LEU  15          2HD2      LEU  15  -7.372  11.480   4.493
  107    H    SER  16           H        SER  16  -9.295  14.470   1.733
  108    HA   SER  16           HA       SER  16 -10.885  16.871   2.371
  109    HB2  SER  16           1HB      SER  16  -8.841  16.047   0.304
  110    HB3  SER  16           2HB      SER  16  -9.827  17.442   0.058
  111    HG   SER  16           HG       SER  16  -7.814  17.958   1.113
  112    HA   PRO  17           HA       PRO  17 -14.354  15.687  -0.092
  113    HB2  PRO  17           1HB      PRO  17 -15.021  17.991  -1.436
  114    HB3  PRO  17           2HB      PRO  17 -15.264  17.759   0.322
  115    HG2  PRO  17           1HG      PRO  17 -12.931  19.125  -1.068
  116    HG3  PRO  17           2HG      PRO  17 -13.898  19.724   0.323
  117    HD2  PRO  17           1HD      PRO  17 -11.523  18.505   0.709
  118    HD3  PRO  17           2HD      PRO  17 -12.900  18.202   1.812
  119    H    GLU  18           H        GLU  18 -11.546  17.012  -1.742
  120    HA   GLU  18           HA       GLU  18 -12.383  15.995  -4.366
  121    HB2  GLU  18           1HB      GLU  18 -10.319  16.969  -5.194
  122    HB3  GLU  18           2HB      GLU  18 -11.256  18.129  -4.257
  123    HG2  GLU  18           1HG      GLU  18  -9.755  17.789  -2.308
  124    HG3  GLU  18           2HG      GLU  18  -8.816  16.608  -3.229
  125    H    GLU  19           H        GLU  19 -10.876  14.568  -1.668
  126    HA   GLU  19           HA       GLU  19  -9.302  12.578  -3.196
  127    HB2  GLU  19           1HB      GLU  19  -9.852  13.092  -0.257
  128    HB3  GLU  19           2HB      GLU  19  -9.144  11.591  -0.800
  129    HG2  GLU  19           1HG      GLU  19  -8.003  14.360  -1.324
  130    HG3  GLU  19           2HG      GLU  19  -7.527  13.294   0.004
  131    H    LEU  20           H        LEU  20 -12.032  12.713  -0.948
  132    HA   LEU  20           HA       LEU  20 -12.883  10.021  -1.054
  133    HB2  LEU  20           1HB      LEU  20 -14.529  12.550  -0.640
  134    HB3  LEU  20           2HB      LEU  20 -15.005  10.946  -0.108
  135    HG   LEU  20           HG       LEU  20 -12.399  12.157   0.907
  136   HD11  LEU  20          1HD1      LEU  20 -14.203  13.821   1.110
  137   HD12  LEU  20          2HD1      LEU  20 -15.138  12.671   2.090
  138   HD13  LEU  20          3HD1      LEU  20 -13.554  13.276   2.670
  139   HD21  LEU  20          3HD2      LEU  20 -12.769  10.709   2.793
  140   HD22  LEU  20          1HD2      LEU  20 -14.375  10.233   2.189
  141   HD23  LEU  20          2HD2      LEU  20 -12.901   9.746   1.320
  142    H    LYS  21           H        LYS  21 -14.236  12.833  -2.797
  143    HA   LYS  21           HA       LYS  21 -15.975  11.332  -4.512
  144    HB2  LYS  21           1HB      LYS  21 -14.753  14.084  -4.664
  145    HB3  LYS  21           2HB      LYS  21 -15.580  13.437  -6.064
  146    HG2  LYS  21           1HG      LYS  21 -17.023  14.853  -4.639
  147    HG3  LYS  21           2HG      LYS  21 -17.663  13.244  -4.966
  148    HD2  LYS  21           1HD      LYS  21 -17.151  12.485  -2.721
  149    HD3  LYS  21           2HD      LYS  21 -16.257  13.976  -2.372
  150    HE2  LYS  21           1HE      LYS  21 -18.343  15.295  -2.677
  151    HE3  LYS  21           2HE      LYS  21 -19.231  13.812  -3.049
  152    HZ1  LYS  21           3HZ      LYS  21 -19.521  14.459  -0.735
  153    HZ2  LYS  21           1HZ      LYS  21 -18.735  13.030  -0.797
  154    HZ3  LYS  21           2HZ      LYS  21 -17.913  14.405  -0.453
  155    H    ALA  22           H        ALA  22 -12.487  11.922  -4.881
  156    HA   ALA  22           HA       ALA  22 -12.370  10.913  -7.616
  157    HB1  ALA  22           1HB      ALA  22 -10.705  12.497  -6.792
  158    HB2  ALA  22           2HB      ALA  22 -10.189  11.370  -5.523
  159    HB3  ALA  22           3HB      ALA  22  -9.921  10.973  -7.232
  160    H    ALA  23           H        ALA  23 -11.709   9.455  -4.390
  161    HA   ALA  23           HA       ALA  23 -11.075   6.832  -5.385
  162    HB1  ALA  23           1HB      ALA  23 -10.482   7.686  -3.125
  163    HB2  ALA  23           2HB      ALA  23 -12.204   7.715  -2.683
  164    HB3  ALA  23           3HB      ALA  23 -11.398   6.170  -3.031
  165    H    SER  24           H        SER  24 -14.156   8.253  -4.244
  166    HA   SER  24           HA       SER  24 -15.747   5.900  -4.575
  167    HB2  SER  24           1HB      SER  24 -16.231   7.933  -3.175
  168    HB3  SER  24           2HB      SER  24 -16.687   8.785  -4.658
  169    HG   SER  24           HG       SER  24 -18.330   7.172  -4.967
  170    H    ARG  25           H        ARG  25 -14.654   8.218  -6.984
  171    HA   ARG  25           HA       ARG  25 -16.554   7.571  -9.039
  172    HB2  ARG  25           1HB      ARG  25 -14.937   9.544  -8.940
  173    HB3  ARG  25           2HB      ARG  25 -13.668   8.426  -9.425
  174    HG2  ARG  25           1HG      ARG  25 -14.467   9.650 -11.334
  175    HG3  ARG  25           2HG      ARG  25 -14.916   7.959 -11.541
  176    HD2  ARG  25           1HD      ARG  25 -17.234   8.473 -10.869
  177    HD3  ARG  25           2HD      ARG  25 -16.771  10.150 -10.506
  178    HE   ARG  25           HE       ARG  25 -16.081   9.515 -13.208
  179   HH11  ARG  25          1HH1      ARG  25 -18.977  10.173 -11.281
  180   HH12  ARG  25          2HH1      ARG  25 -19.864  10.772 -12.651
  181   HH21  ARG  25          1HH2      ARG  25 -17.283  10.300 -14.932
  182   HH22  ARG  25          2HH2      ARG  25 -18.916  10.841 -14.687
  183    H    GLY  26           H        GLY  26 -13.716   5.931  -7.812
  184    HA2  GLY  26           1HA      GLY  26 -13.709   3.806  -9.894
  185    HA3  GLY  26           2HA      GLY  26 -12.663   3.921  -8.456
  186    H    ASN  27           H        ASN  27 -13.940   3.854  -6.336
  187    HA   ASN  27           HA       ASN  27 -16.475   2.552  -6.215
  188    HB2  ASN  27           1HB      ASN  27 -15.117   0.545  -6.887
  189    HB3  ASN  27           2HB      ASN  27 -14.138   0.761  -5.441
  190   HD21  ASN  27          2HD2      ASN  27 -14.714  -1.106  -4.312
  191   HD22  ASN  27          1HD2      ASN  27 -16.361  -1.421  -3.776
  192    H    GLY  28           H        GLY  28 -13.511   3.507  -4.521
  193    HA2  GLY  28           1HA      GLY  28 -13.527   4.937  -2.627
  194    HA3  GLY  28           2HA      GLY  28 -15.100   4.292  -2.114
  195    H    GLU  29           H        GLU  29 -13.292   1.657  -2.942
  196    HA   GLU  29           HA       GLU  29 -12.376   1.069  -0.189
  197    HB2  GLU  29           1HB      GLU  29 -13.360  -0.485  -2.419
  198    HB3  GLU  29           2HB      GLU  29 -11.727  -0.972  -2.089
  199    HG2  GLU  29           1HG      GLU  29 -13.325  -2.332  -0.789
  200    HG3  GLU  29           2HG      GLU  29 -12.297  -1.391   0.287
  201    H    TYR  30           H        TYR  30 -10.245  -0.355  -0.276
  202    HA   TYR  30           HA       TYR  30  -8.136   0.385  -2.057
  203    HB2  TYR  30           1HB      TYR  30  -6.783   1.751  -0.639
  204    HB3  TYR  30           2HB      TYR  30  -8.333   2.538  -0.826
  205    HD1  TYR  30           1HD      TYR  30 -10.119   2.057   1.067
  206    HD2  TYR  30           2HD      TYR  30  -5.892   1.346   1.503
  207    HE1  TYR  30           1HE      TYR  30 -10.368   2.112   3.552
  208    HE2  TYR  30           2HE      TYR  30  -6.136   1.361   3.986
  209    HH   TYR  30           HH       TYR  30  -9.300   1.918   5.586
  210    H    ALA  31           H        ALA  31  -6.217  -0.684  -1.678
  211    HA   ALA  31           HA       ALA  31  -5.787  -2.337   0.721
  212    HB1  ALA  31           1HB      ALA  31  -7.091  -3.903  -0.510
  213    HB2  ALA  31           2HB      ALA  31  -6.362  -3.452  -2.059
  214    HB3  ALA  31           3HB      ALA  31  -5.422  -4.362  -0.848
  215    H    TRP  32           H        TRP  32  -3.661  -3.094   0.900
  216    HA   TRP  32           HA       TRP  32  -1.622  -1.805  -0.877
  217    HB2  TRP  32           1HB      TRP  32  -1.606  -2.490   2.080
  218    HB3  TRP  32           2HB      TRP  32  -0.132  -2.270   1.159
  219    HD1  TRP  32           HD       TRP  32  -3.308  -0.114   1.773
  220    HE1  TRP  32           1HE      TRP  32  -2.566   2.350   1.992
  221    HE3  TRP  32           3HE      TRP  32   1.736  -0.684   0.999
  222    HZ2  TRP  32           2HZ      TRP  32  -0.066   3.781   2.269
  223    HZ3  TRP  32           3HZ      TRP  32   3.250   1.296   1.249
  224    HH2  TRP  32           HH       TRP  32   2.355   3.456   1.909
  225    H    TYR  33           H        TYR  33   0.107  -3.009  -1.562
  226    HA   TYR  33           HA       TYR  33   0.077  -5.961  -1.204
  227    HB2  TYR  33           1HB      TYR  33   0.009  -4.401  -3.808
  228    HB3  TYR  33           2HB      TYR  33   0.535  -6.069  -3.718
  229    HD1  TYR  33           2HD      TYR  33  -2.411  -3.826  -3.159
  230    HD2  TYR  33           1HD      TYR  33  -1.003  -7.863  -3.766
  231    HE1  TYR  33           2HE      TYR  33  -4.759  -4.597  -3.410
  232    HE2  TYR  33           1HE      TYR  33  -3.354  -8.635  -4.030
  233    HH   TYR  33           HH       TYR  33  -6.147  -6.396  -3.803
  234    H    TYR  34           H        TYR  34   2.056  -7.003  -1.520
  235    HA   TYR  34           HA       TYR  34   4.490  -5.336  -1.999
  236    HB2  TYR  34           1HB      TYR  34   5.605  -6.319  -0.128
  237    HB3  TYR  34           2HB      TYR  34   4.094  -5.636   0.438
  238    HD1  TYR  34           1HD      TYR  34   2.200  -7.146   1.117
  239    HD2  TYR  34           2HD      TYR  34   6.072  -8.692   0.012
  240    HE1  TYR  34           1HE      TYR  34   1.614  -9.335   2.132
  241    HE2  TYR  34           2HE      TYR  34   5.493 -10.881   1.028
  242    HH   TYR  34           HH       TYR  34   3.893 -12.111   2.138
  243    H    GLU  35           H        GLU  35   6.306  -6.449  -2.890
  244    HA   GLU  35           HA       GLU  35   5.693  -8.902  -4.376
  245    HB2  GLU  35           1HB      GLU  35   8.303  -7.372  -4.048
  246    HB3  GLU  35           2HB      GLU  35   8.064  -8.802  -5.062
  247    HG2  GLU  35           1HG      GLU  35   6.185  -7.488  -6.228
  248    HG3  GLU  35           2HG      GLU  35   6.831  -6.058  -5.409
  249    H    GLY  36           H        GLY  36   5.574 -10.776  -3.390
  250    HA2  GLY  36           1HA      GLY  36   7.390 -11.586  -1.153
  251    HA3  GLY  36           2HA      GLY  36   5.966 -12.451  -1.745
  252    H    ARG  37           H        ARG  37   7.068 -14.399  -1.976
  253    HA   ARG  37           HA       ARG  37   9.451 -14.672  -3.625
  254    HB2  ARG  37           1HB      ARG  37   8.872 -16.141  -1.699
  255    HB3  ARG  37           2HB      ARG  37   7.493 -16.768  -2.607
  256    HG2  ARG  37           1HG      ARG  37   9.124 -17.607  -4.370
  257    HG3  ARG  37           2HG      ARG  37  10.446 -17.014  -3.354
  258    HD2  ARG  37           1HD      ARG  37  10.200 -19.378  -2.984
  259    HD3  ARG  37           2HD      ARG  37   9.650 -18.540  -1.520
  260    HE   ARG  37           HE       ARG  37   7.433 -18.972  -3.288
  261   HH11  ARG  37          1HH1      ARG  37   9.488 -20.909  -1.150
  262   HH12  ARG  37          2HH1      ARG  37   8.241 -22.094  -0.899
  263   HH21  ARG  37          1HH2      ARG  37   5.900 -20.479  -2.916
  264   HH22  ARG  37          2HH2      ARG  37   6.219 -21.858  -1.899
  265    H    ASN  38           H        ASN  38   5.989 -15.311  -4.131
  266    HA   ASN  38           HA       ASN  38   6.493 -16.190  -6.927
  267    HB2  ASN  38           1HB      ASN  38   4.203 -16.669  -4.997
  268    HB3  ASN  38           2HB      ASN  38   4.161 -17.152  -6.688
  269   HD21  ASN  38          2HD2      ASN  38   5.355 -18.988  -7.356
  270   HD22  ASN  38          1HD2      ASN  38   6.192 -19.995  -6.190
  271    H    GLY  39           H        GLY  39   5.343 -13.337  -5.457
  272    HA2  GLY  39           1HA      GLY  39   4.942 -11.777  -7.638
  273    HA3  GLY  39           2HA      GLY  39   3.399 -12.611  -7.548
  274    H    TRP  40           H        TRP  40   2.487 -10.463  -7.239
  275    HA   TRP  40           HA       TRP  40   2.961  -8.975  -4.799
  276    HB2  TRP  40           1HB      TRP  40   0.711  -8.836  -6.837
  277    HB3  TRP  40           2HB      TRP  40   1.009  -7.672  -5.554
  278    HD1  TRP  40           HD       TRP  40   2.117  -8.637  -9.008
  279    HE1  TRP  40           1HE      TRP  40   3.848  -6.988  -9.910
  280    HE3  TRP  40           3HE      TRP  40   3.016  -5.989  -4.713
  281    HZ2  TRP  40           2HZ      TRP  40   5.344  -4.709  -8.930
  282    HZ3  TRP  40           3HZ      TRP  40   4.593  -4.073  -4.741
  283    HH2  TRP  40           HH       TRP  40   5.747  -3.420  -6.835
  284    H    TRP  41           H        TRP  41   2.050  -9.251  -2.862
  285    HA   TRP  41           HA       TRP  41  -0.456 -10.862  -2.572
  286    HB2  TRP  41           1HB      TRP  41   2.027 -10.948  -0.819
  287    HB3  TRP  41           2HB      TRP  41   0.521 -11.818  -0.517
  288    HD1  TRP  41           HD       TRP  41   3.783 -12.440  -1.851
  289    HE1  TRP  41           1HE      TRP  41   3.873 -14.383  -3.534
  290    HE3  TRP  41           3HE      TRP  41  -1.228 -13.004  -2.701
  291    HZ2  TRP  41           2HZ      TRP  41   2.021 -15.794  -5.243
  292    HZ3  TRP  41           3HZ      TRP  41  -2.039 -14.589  -4.391
  293    HH2  TRP  41           HH       TRP  41  -0.433 -16.005  -5.685
  294    H    GLN  42           H        GLN  42  -1.894 -10.237  -0.993
  295    HA   GLN  42           HA       GLN  42  -1.806  -7.376  -0.392
  296    HB2  GLN  42           1HB      GLN  42  -3.807  -8.732  -1.290
  297    HB3  GLN  42           2HB      GLN  42  -3.981  -9.360   0.354
  298    HG2  GLN  42           1HG      GLN  42  -4.127  -6.937   1.142
  299    HG3  GLN  42           2HG      GLN  42  -4.146  -6.446  -0.549
  300   HE21  GLN  42          2HE2      GLN  42  -6.239  -6.245   1.696
  301   HE22  GLN  42          1HE2      GLN  42  -7.664  -6.970   0.970
  302    H    TYR  43           H        TYR  43  -1.692  -6.409   1.608
  303    HA   TYR  43           HA       TYR  43  -0.714  -7.862   3.942
  304    HB2  TYR  43           1HB      TYR  43  -1.681  -5.034   3.447
  305    HB3  TYR  43           2HB      TYR  43  -1.160  -5.581   5.032
  306    HD1  TYR  43           1HD      TYR  43   1.208  -6.217   5.466
  307    HD2  TYR  43           2HD      TYR  43  -0.086  -4.568   1.716
  308    HE1  TYR  43           1HE      TYR  43   3.552  -5.583   4.936
  309    HE2  TYR  43           2HE      TYR  43   2.245  -3.907   1.172
  310    HH   TYR  43           HH       TYR  43   4.390  -3.971   1.839
  311    H    ASP  44           H        ASP  44  -1.747  -7.731   6.064
  312    HA   ASP  44           HA       ASP  44  -4.619  -8.402   6.059
  313    HB2  ASP  44           1HB      ASP  44  -2.738  -9.419   7.520
  314    HB3  ASP  44           2HB      ASP  44  -2.897  -7.975   8.515
  315    H    GLU  45           H        GLU  45  -6.098  -7.243   7.419
  316    HA   GLU  45           HA       GLU  45  -6.103  -4.402   6.744
  317    HB2  GLU  45           1HB      GLU  45  -8.326  -4.357   7.761
  318    HB3  GLU  45           2HB      GLU  45  -8.157  -5.632   6.556
  319    HG2  GLU  45           1HG      GLU  45  -7.951  -7.330   8.323
  320    HG3  GLU  45           2HG      GLU  45  -7.984  -6.079   9.566
  321    H    ARG  46           H        ARG  46  -5.106  -6.178   9.533
  322    HA   ARG  46           HA       ARG  46  -5.194  -4.031  11.493
  323    HB2  ARG  46           1HB      ARG  46  -3.419  -6.509  11.301
  324    HB3  ARG  46           2HB      ARG  46  -3.381  -5.348  12.624
  325    HG2  ARG  46           1HG      ARG  46  -4.708  -7.020  13.446
  326    HG3  ARG  46           2HG      ARG  46  -5.869  -5.771  12.943
  327    HD2  ARG  46           1HD      ARG  46  -6.410  -7.055  10.932
  328    HD3  ARG  46           2HD      ARG  46  -5.097  -8.193  11.295
  329    HE   ARG  46           HE       ARG  46  -6.941  -8.144  13.469
  330   HH11  ARG  46          1HH1      ARG  46  -6.737  -9.300  10.122
  331   HH12  ARG  46          2HH1      ARG  46  -7.938 -10.539  10.383
  332   HH21  ARG  46          1HH2      ARG  46  -8.470  -9.780  13.740
  333   HH22  ARG  46          2HH2      ARG  46  -8.896 -10.809  12.406
  334    H    THR  47           H        THR  47  -2.941  -5.164   9.133
  335    HA   THR  47           HA       THR  47  -0.760  -3.332   9.823
  336    HB   THR  47           HB       THR  47  -0.976  -5.457   7.651
  337    HG1  THR  47           1HG      THR  47   0.278  -6.588   9.224
  338   HG21  THR  47          3HG2      THR  47   1.543  -5.329   7.777
  339   HG22  THR  47          1HG2      THR  47   0.771  -3.909   7.045
  340   HG23  THR  47          2HG2      THR  47   1.353  -3.817   8.716
  341    H    SER  48           H        SER  48  -2.773  -3.796   6.831
  342    HA   SER  48           HA       SER  48  -1.409  -1.806   5.341
  343    HB2  SER  48           1HB      SER  48  -3.327  -1.851   3.841
  344    HB3  SER  48           2HB      SER  48  -2.846  -3.484   4.323
  345    HG   SER  48           HG       SER  48  -5.139  -3.181   4.419
  346    H    ARG  49           H        ARG  49  -4.073  -1.424   7.641
  347    HA   ARG  49           HA       ARG  49  -4.707   1.261   6.961
  348    HB2  ARG  49           1HB      ARG  49  -5.989   1.362   8.905
  349    HB3  ARG  49           2HB      ARG  49  -6.088  -0.285   8.321
  350    HG2  ARG  49           1HG      ARG  49  -5.857  -0.608  10.590
  351    HG3  ARG  49           2HG      ARG  49  -4.231  -0.857   9.996
  352    HD2  ARG  49           1HD      ARG  49  -4.406   0.415  12.169
  353    HD3  ARG  49           2HD      ARG  49  -3.480   1.213  10.923
  354    HE   ARG  49           HE       ARG  49  -6.323   1.978  11.160
  355   HH11  ARG  49          1HH1      ARG  49  -2.997   2.877  12.078
  356   HH12  ARG  49          2HH1      ARG  49  -3.379   4.592  11.992
  357   HH21  ARG  49          1HH2      ARG  49  -6.720   4.207  11.256
  358   HH22  ARG  49          2HH2      ARG  49  -5.425   5.288  11.692
  359    H    GLU  50           H        GLU  50  -1.981  -0.035   8.820
  360    HA   GLU  50           HA       GLU  50  -1.337   2.484  10.142
  361    HB2  GLU  50           1HB      GLU  50   0.460   0.114   9.476
  362    HB3  GLU  50           2HB      GLU  50   0.867   1.425  10.569
  363    HG2  GLU  50           1HG      GLU  50  -1.515  -0.417  11.050
  364    HG3  GLU  50           2HG      GLU  50   0.112  -0.774  11.609
  365    H    LEU  51           H        LEU  51  -0.533   0.946   7.094
  366    HA   LEU  51           HA       LEU  51   1.559   2.761   6.265
  367    HB2  LEU  51           1HB      LEU  51  -0.110   0.924   4.512
  368    HB3  LEU  51           2HB      LEU  51   1.549   1.453   4.266
  369    HG   LEU  51           HG       LEU  51   0.585  -0.497   6.402
  370   HD11  LEU  51          1HD1      LEU  51   0.498  -1.387   4.123
  371   HD12  LEU  51          2HD1      LEU  51   2.222  -0.999   3.901
  372   HD13  LEU  51          3HD1      LEU  51   1.715  -2.199   5.118
  373   HD21  LEU  51          3HD2      LEU  51   3.013  -0.889   6.817
  374   HD22  LEU  51          1HD2      LEU  51   3.379   0.484   5.747
  375   HD23  LEU  51          2HD2      LEU  51   2.511   0.742   7.269
  376    H    GLU  52           H        GLU  52  -1.891   2.363   5.423
  377    HA   GLU  52           HA       GLU  52  -2.051   4.669   3.742
  378    HB2  GLU  52           1HB      GLU  52  -3.660   2.655   3.925
  379    HB3  GLU  52           2HB      GLU  52  -4.309   3.440   5.357
  380    HG2  GLU  52           1HG      GLU  52  -5.755   4.032   3.608
  381    HG3  GLU  52           2HG      GLU  52  -4.820   5.475   3.892
  382    H    ASP  53           H        ASP  53  -2.204   4.403   7.290
  383    HA   ASP  53           HA       ASP  53  -3.438   7.019   7.647
  384    HB2  ASP  53           1HB      ASP  53  -3.580   5.029   9.185
  385    HB3  ASP  53           2HB      ASP  53  -1.910   5.297   9.644
  386    H    ALA  54           H        ALA  54  -0.212   5.677   7.712
  387    HA   ALA  54           HA       ALA  54   1.290   7.737   8.858
  388    HB1  ALA  54           1HB      ALA  54   2.177   5.564   8.492
  389    HB2  ALA  54           2HB      ALA  54   1.974   5.688   6.730
  390    HB3  ALA  54           3HB      ALA  54   3.192   6.688   7.555
  391    H    PHE  55           H        PHE  55   0.776   7.409   5.276
  392    HA   PHE  55           HA       PHE  55   2.108   9.916   4.754
  393    HB2  PHE  55           1HB      PHE  55   1.740   9.524   2.559
  394    HB3  PHE  55           2HB      PHE  55   1.564   7.887   3.158
  395    HD1  PHE  55           1HD      PHE  55  -0.791   6.948   3.520
  396    HD2  PHE  55           2HD      PHE  55  -0.036  10.645   1.441
  397    HE1  PHE  55           1HE      PHE  55  -3.043   6.829   2.471
  398    HE2  PHE  55           2HE      PHE  55  -2.280  10.511   0.380
  399    HZ   PHE  55           HZ       PHE  55  -3.786   8.595   0.894
  400    H    SER  56           H        SER  56  -1.078   9.125   5.757
  401    HA   SER  56           HA       SER  56  -2.345  11.680   5.082
  402    HB2  SER  56           1HB      SER  56  -3.425   9.323   5.452
  403    HB3  SER  56           2HB      SER  56  -3.368   9.747   7.167
  404    HG   SER  56           HG       SER  56  -5.350  10.381   6.170
  405    H    LYS  57           H        LYS  57  -0.639  10.336   7.914
  406    HA   LYS  57           HA       LYS  57  -1.192  12.577   9.704
  407    HB2  LYS  57           1HB      LYS  57   0.837  10.319   9.656
  408    HB3  LYS  57           2HB      LYS  57   0.802  11.536  10.931
  409    HG2  LYS  57           1HG      LYS  57  -1.187  10.770  11.853
  410    HG3  LYS  57           2HG      LYS  57  -1.755  10.046  10.347
  411    HD2  LYS  57           1HD      LYS  57  -1.094   8.307  11.988
  412    HD3  LYS  57           2HD      LYS  57  -0.181   8.247  10.495
  413    HE2  LYS  57           1HE      LYS  57   1.563   7.984  11.930
  414    HE3  LYS  57           2HE      LYS  57   1.588   9.730  11.802
  415    HZ1  LYS  57           3HZ      LYS  57   1.664   9.066  14.129
  416    HZ2  LYS  57           1HZ      LYS  57   0.262   9.856  13.855
  417    HZ3  LYS  57           2HZ      LYS  57   0.268   8.228  13.999
  418    H    GLY  58           H        GLY  58   1.521  11.679   7.553
  419    HA2  GLY  58           1HA      GLY  58   2.465  13.635   6.279
  420    HA3  GLY  58           2HA      GLY  58   2.697  14.437   7.845
  421    H    LYS  59           H        LYS  59   3.386  11.268   8.555
  422    HA   LYS  59           HA       LYS  59   6.252  11.636   8.328
  423    HB2  LYS  59           1HB      LYS  59   6.334   9.226   9.085
  424    HB3  LYS  59           2HB      LYS  59   5.560  10.353  10.187
  425    HG2  LYS  59           1HG      LYS  59   3.368   9.576   9.666
  426    HG3  LYS  59           2HG      LYS  59   3.954   8.723   8.231
  427    HD2  LYS  59           1HD      LYS  59   3.411   7.182  10.083
  428    HD3  LYS  59           2HD      LYS  59   5.081   7.083   9.571
  429    HE2  LYS  59           1HE      LYS  59   5.766   8.506  11.508
  430    HE3  LYS  59           2HE      LYS  59   4.085   8.551  12.049
  431    HZ1  LYS  59           3HZ      LYS  59   5.306   6.816  13.203
  432    HZ2  LYS  59           1HZ      LYS  59   4.200   6.087  12.239
  433    HZ3  LYS  59           2HZ      LYS  59   5.772   6.117  11.804
  434    H    LYS  60           H        LYS  60   7.716  10.451   7.128
  435    HA   LYS  60           HA       LYS  60   6.779   9.728   4.391
  436    HB2  LYS  60           1HB      LYS  60   8.881  10.350   3.598
  437    HB3  LYS  60           2HB      LYS  60   8.445  11.572   4.790
  438    HG2  LYS  60           1HG      LYS  60   9.935  10.302   6.435
  439    HG3  LYS  60           2HG      LYS  60  10.480   9.335   5.050
  440    HD2  LYS  60           1HD      LYS  60  11.151  11.499   3.909
  441    HD3  LYS  60           2HD      LYS  60  10.694  12.360   5.374
  442    HE2  LYS  60           1HE      LYS  60  13.072  12.093   5.380
  443    HE3  LYS  60           2HE      LYS  60  12.408  11.086   6.669
  444    HZ1  LYS  60           3HZ      LYS  60  14.152  10.001   5.260
  445    HZ2  LYS  60           1HZ      LYS  60  12.756   9.152   5.284
  446    HZ3  LYS  60           2HZ      LYS  60  13.132  10.046   3.973
  447    H    ASN  61           H        ASN  61   7.370   8.063   7.138
  448    HA   ASN  61           HA       ASN  61   7.425   5.561   5.858
  449    HB2  ASN  61           1HB      ASN  61   9.546   4.626   6.640
  450    HB3  ASN  61           2HB      ASN  61   9.860   5.980   5.568
  451   HD21  ASN  61          2HD2      ASN  61  10.303   8.079   6.593
  452   HD22  ASN  61          1HD2      ASN  61  11.188   8.115   8.110
  453    H    THR  62           H        THR  62   7.113   3.840   7.313
  454    HA   THR  62           HA       THR  62   6.618   4.433  10.173
  455    HB   THR  62           HB       THR  62   4.571   5.054   8.861
  456    HG1  THR  62           1HG      THR  62   3.295   3.943  10.469
  457   HG21  THR  62          3HG2      THR  62   3.017   3.223   8.285
  458   HG22  THR  62          1HG2      THR  62   4.458   3.186   7.262
  459   HG23  THR  62          2HG2      THR  62   4.280   2.019   8.594
  460    H    GLU  63           H        GLU  63   5.557   2.243  11.126
  461    HA   GLU  63           HA       GLU  63   7.439   0.049  10.357
  462    HB2  GLU  63           1HB      GLU  63   6.921   1.348  13.054
  463    HB3  GLU  63           2HB      GLU  63   7.648  -0.252  12.885
  464    HG2  GLU  63           1HG      GLU  63   9.432   0.664  11.486
  465    HG3  GLU  63           2HG      GLU  63   8.759   2.290  11.622
  466    H    MET  64           H        MET  64   6.804  -1.990  10.671
  467    HA   MET  64           HA       MET  64   4.174  -2.667  11.832
  468    HB2  MET  64           1HB      MET  64   3.487  -3.794   9.706
  469    HB3  MET  64           2HB      MET  64   3.496  -2.031   9.608
  470    HG2  MET  64           1HG      MET  64   5.541  -2.013   8.348
  471    HG3  MET  64           2HG      MET  64   5.877  -3.694   8.740
  472    HE1  MET  64           3HE      MET  64   5.706  -4.453   5.197
  473    HE2  MET  64           1HE      MET  64   6.665  -3.615   6.442
  474    HE3  MET  64           2HE      MET  64   6.009  -5.230   6.765
  475    H    LEU  65           H        LEU  65   3.816  -4.855  12.128
  476    HA   LEU  65           HA       LEU  65   6.234  -6.568  12.216
  477    HB2  LEU  65           1HB      LEU  65   4.454  -5.815  14.246
  478    HB3  LEU  65           2HB      LEU  65   3.800  -7.353  13.750
  479    HG   LEU  65           HG       LEU  65   5.262  -7.611  15.618
  480   HD11  LEU  65          1HD1      LEU  65   5.287  -9.471  14.023
  481   HD12  LEU  65          2HD1      LEU  65   6.723  -8.771  13.237
  482   HD13  LEU  65          3HD1      LEU  65   6.810  -9.319  14.915
  483   HD21  LEU  65          3HD2      LEU  65   7.605  -6.995  15.642
  484   HD22  LEU  65          1HD2      LEU  65   7.525  -6.460  13.952
  485   HD23  LEU  65          2HD2      LEU  65   6.620  -5.582  15.200
  486    H    ILE  66           H        ILE  66   6.199  -8.525  11.393
  487    HA   ILE  66           HA       ILE  66   3.824  -9.442   9.761
  488    HB   ILE  66           HB       ILE  66   5.226 -10.250   8.066
  489   HG12  ILE  66          1HG1      ILE  66   7.764  -8.996   8.752
  490   HG13  ILE  66          2HG1      ILE  66   7.341 -10.123  10.011
  491   HG21  ILE  66          1HG2      ILE  66   4.394  -7.907   8.033
  492   HG22  ILE  66          2HG2      ILE  66   5.950  -7.358   8.678
  493   HG23  ILE  66          3HG2      ILE  66   5.869  -8.162   7.093
  494   HD11  ILE  66          3HD1      ILE  66   8.705 -11.090   8.102
  495   HD12  ILE  66          1HD1      ILE  66   7.255 -11.992   8.528
  496   HD13  ILE  66          2HD1      ILE  66   7.251 -10.961   7.093
  497    H    ALA  67           H        ALA  67   5.197 -11.946   9.041
  498    HA   ALA  67           HA       ALA  67   4.215 -13.673  11.021
  499    HB1  ALA  67           1HB      ALA  67   4.611 -14.198   8.608
  500    HB2  ALA  67           2HB      ALA  67   6.370 -14.130   8.898
  501    HB3  ALA  67           3HB      ALA  67   5.388 -15.388   9.675
  502    H    GLY  68           H        GLY  68   7.241 -11.980  11.120
  503    HA2  GLY  68           1HA      GLY  68   7.895 -12.951  13.720
  504    HA3  GLY  68           2HA      GLY  68   8.877 -13.810  12.553
  505    H    PHE  69           H        PHE  69   8.171 -10.481  11.718
  506    HA   PHE  69           HA       PHE  69  10.800  -9.503  12.652
  507    HB2  PHE  69           1HB      PHE  69  10.052  -9.797   9.710
  508    HB3  PHE  69           2HB      PHE  69  11.446  -8.930  10.310
  509    HD1  PHE  69           1HD      PHE  69  13.347 -10.138  11.392
  510    HD2  PHE  69           2HD      PHE  69  10.075 -12.245   9.527
  511    HE1  PHE  69           1HE      PHE  69  14.718 -12.207  11.310
  512    HE2  PHE  69           2HE      PHE  69  11.453 -14.303   9.440
  513    HZ   PHE  69           HZ       PHE  69  13.775 -14.290  10.331
  514    H    LEU  70           H        LEU  70  11.082  -7.289  12.514
  515    HA   LEU  70           HA       LEU  70   8.687  -5.597  12.036
  516    HB2  LEU  70           1HB      LEU  70  10.218  -5.442  14.127
  517    HB3  LEU  70           2HB      LEU  70  11.431  -4.792  13.038
  518    HG   LEU  70           HG       LEU  70  10.455  -3.003  14.220
  519   HD11  LEU  70          1HD1      LEU  70  10.804  -2.626  11.710
  520   HD12  LEU  70          2HD1      LEU  70   9.028  -2.723  11.574
  521   HD13  LEU  70          3HD1      LEU  70   9.774  -1.484  12.579
  522   HD21  LEU  70          3HD2      LEU  70   8.032  -2.440  14.138
  523   HD22  LEU  70          1HD2      LEU  70   7.720  -3.998  13.343
  524   HD23  LEU  70          2HD2      LEU  70   8.385  -3.957  14.988
  525    H    TYR  71           H        TYR  71   8.462  -4.611  10.181
  526    HA   TYR  71           HA       TYR  71  10.818  -4.054   8.415
  527    HB2  TYR  71           1HB      TYR  71   8.031  -4.804   7.636
  528    HB3  TYR  71           2HB      TYR  71   9.240  -4.200   6.500
  529    HD1  TYR  71           2HD      TYR  71  11.652  -5.860   7.663
  530    HD2  TYR  71           1HD      TYR  71   7.608  -6.870   6.566
  531    HE1  TYR  71           2HE      TYR  71  12.336  -8.207   7.289
  532    HE2  TYR  71           1HE      TYR  71   8.258  -9.210   6.277
  533    HH   TYR  71           HH       TYR  71  10.041 -10.743   6.242
  534    H    VAL  72           H        VAL  72  11.145  -2.106   7.722
  535    HA   VAL  72           HA       VAL  72   9.462   0.110   8.716
  536    HB   VAL  72           HB       VAL  72  12.160   0.214   7.339
  537   HG11  VAL  72          1HG1      VAL  72  10.892   2.344   7.136
  538   HG12  VAL  72          2HG1      VAL  72  10.613   2.346   8.891
  539   HG13  VAL  72          3HG1      VAL  72  12.255   2.528   8.245
  540   HG21  VAL  72          3HG2      VAL  72  13.084   0.690   9.589
  541   HG22  VAL  72          1HG2      VAL  72  11.495   0.345  10.306
  542   HG23  VAL  72          2HG2      VAL  72  12.409  -0.936   9.479
  543    H    ALA  73           H        ALA  73   7.830   0.566   7.446
  544    HA   ALA  73           HA       ALA  73   7.785   0.205   4.544
  545    HB1  ALA  73           1HB      ALA  73   5.872  -0.323   6.094
  546    HB2  ALA  73           2HB      ALA  73   5.743   1.396   6.467
  547    HB3  ALA  73           3HB      ALA  73   5.454   0.839   4.802
  548    H    ASP  74           H        ASP  74   9.079   1.596   3.509
  549    HA   ASP  74           HA       ASP  74   9.086   4.476   4.131
  550    HB2  ASP  74           1HB      ASP  74  11.191   3.290   3.713
  551    HB3  ASP  74           2HB      ASP  74  10.624   2.818   2.115
  552    H    LEU  75           H        LEU  75   7.618   5.766   3.314
  553    HA   LEU  75           HA       LEU  75   5.949   5.118   1.018
  554    HB2  LEU  75           1HB      LEU  75   6.240   7.507   2.887
  555    HB3  LEU  75           2HB      LEU  75   5.144   7.533   1.538
  556    HG   LEU  75           HG       LEU  75   4.895   5.266   3.549
  557   HD11  LEU  75          1HD1      LEU  75   4.901   7.245   4.966
  558   HD12  LEU  75          2HD1      LEU  75   3.809   8.101   3.858
  559   HD13  LEU  75          3HD1      LEU  75   3.230   6.694   4.772
  560   HD21  LEU  75          3HD2      LEU  75   2.535   5.442   2.825
  561   HD22  LEU  75          1HD2      LEU  75   2.985   6.731   1.691
  562   HD23  LEU  75          2HD2      LEU  75   3.659   5.098   1.488
  563    H    GLU  76           H        GLU  76   8.968   6.860   1.431
  564    HA   GLU  76           HA       GLU  76   8.683   8.714  -0.733
  565    HB2  GLU  76           1HB      GLU  76  11.270   7.510   0.340
  566    HB3  GLU  76           2HB      GLU  76  11.081   8.929  -0.659
  567    HG2  GLU  76           1HG      GLU  76   9.609   9.783   1.379
  568    HG3  GLU  76           2HG      GLU  76  10.440   8.514   2.265
  569    H    ASN  77           H        ASN  77  10.300   5.551  -0.552
  570    HA   ASN  77           HA       ASN  77  10.711   5.426  -3.495
  571    HB2  ASN  77           1HB      ASN  77  11.710   3.701  -1.188
  572    HB3  ASN  77           2HB      ASN  77  12.168   3.505  -2.875
  573   HD21  ASN  77          2HD2      ASN  77  12.312   5.864  -0.128
  574   HD22  ASN  77          1HD2      ASN  77  13.825   6.584  -0.671
  575    H    MET  78           H        MET  78   8.474   4.443  -1.206
  576    HA   MET  78           HA       MET  78   6.851   2.841  -0.940
  577    HB2  MET  78           1HB      MET  78   7.090   2.504  -3.953
  578    HB3  MET  78           2HB      MET  78   5.834   1.800  -2.954
  579    HG2  MET  78           1HG      MET  78   6.093   4.725  -2.562
  580    HG3  MET  78           2HG      MET  78   5.752   4.256  -4.214
  581    HE1  MET  78           3HE      MET  78   2.974   3.450  -0.613
  582    HE2  MET  78           1HE      MET  78   4.518   2.597  -0.774
  583    HE3  MET  78           2HE      MET  78   4.496   4.365  -0.560
  584    H    VAL  79           H        VAL  79   8.730   1.808   0.268
  585    HA   VAL  79           HA       VAL  79   9.078  -0.974  -0.716
  586    HB   VAL  79           HB       VAL  79  11.492  -1.022  -0.392
  587   HG11  VAL  79          1HG1      VAL  79  10.664  -0.610  -2.674
  588   HG12  VAL  79          2HG1      VAL  79  10.822   1.141  -2.401
  589   HG13  VAL  79          3HG1      VAL  79  12.252   0.104  -2.380
  590   HG21  VAL  79          3HG2      VAL  79  12.791   1.134  -0.240
  591   HG22  VAL  79          1HG2      VAL  79  11.269   1.967   0.091
  592   HG23  VAL  79          2HG2      VAL  79  11.874   0.734   1.213
  593    H    GLN  80           H        GLN  80   9.808  -2.514   0.777
  594    HA   GLN  80           HA       GLN  80   9.720  -1.777   3.667
  595    HB2  GLN  80           1HB      GLN  80   9.225  -4.405   2.177
  596    HB3  GLN  80           2HB      GLN  80   9.164  -4.220   3.931
  597    HG2  GLN  80           1HG      GLN  80   7.364  -2.799   1.944
  598    HG3  GLN  80           2HG      GLN  80   6.930  -4.237   2.857
  599   HE21  GLN  80          2HE2      GLN  80   5.161  -2.315   3.256
  600   HE22  GLN  80          1HE2      GLN  80   5.462  -1.487   4.768
  601    H    TYR  81           H        TYR  81  11.385  -2.272   4.963
  602    HA   TYR  81           HA       TYR  81  13.306  -4.362   4.286
  603    HB2  TYR  81           1HB      TYR  81  15.281  -2.826   4.694
  604    HB3  TYR  81           2HB      TYR  81  14.469  -2.702   3.152
  605    HD1  TYR  81           1HD      TYR  81  14.567  -1.021   6.543
  606    HD2  TYR  81           2HD      TYR  81  13.802  -0.632   2.317
  607    HE1  TYR  81           1HE      TYR  81  14.413   1.437   6.800
  608    HE2  TYR  81           2HE      TYR  81  13.657   1.829   2.561
  609    HH   TYR  81           HH       TYR  81  14.078   3.459   5.741
  610    H    ARG  82           H        ARG  82  14.609  -5.042   6.065
  611    HA   ARG  82           HA       ARG  82  13.367  -4.741   8.684
  612    HB2  ARG  82           1HB      ARG  82  14.383  -6.848   7.791
  613    HB3  ARG  82           2HB      ARG  82  15.978  -6.099   7.880
  614    HG2  ARG  82           1HG      ARG  82  15.734  -5.866  10.340
  615    HG3  ARG  82           2HG      ARG  82  14.096  -6.549  10.247
  616    HD2  ARG  82           1HD      ARG  82  15.024  -8.666   9.370
  617    HD3  ARG  82           2HD      ARG  82  16.660  -7.973   9.417
  618    HE   ARG  82           HE       ARG  82  15.404  -7.782  11.996
  619   HH11  ARG  82          1HH1      ARG  82  16.967 -10.187   9.923
  620   HH12  ARG  82          2HH1      ARG  82  17.475 -11.154  11.275
  621   HH21  ARG  82          1HH2      ARG  82  16.069  -9.091  13.693
  622   HH22  ARG  82          2HH2      ARG  82  16.955 -10.549  13.375
  623    H    ARG  83           H        ARG  83  14.117  -3.574  10.448
  624    HA   ARG  83           HA       ARG  83  15.165  -1.065  10.122
  625    HB2  ARG  83           1HB      ARG  83  15.238  -2.888  12.550
  626    HB3  ARG  83           2HB      ARG  83  15.800  -1.215  12.612
  627    HG2  ARG  83           1HG      ARG  83  13.615  -0.358  11.979
  628    HG3  ARG  83           2HG      ARG  83  13.003  -2.000  11.724
  629    HD2  ARG  83           1HD      ARG  83  12.250  -1.081  13.897
  630    HD3  ARG  83           2HD      ARG  83  13.209  -2.539  14.074
  631    HE   ARG  83           HE       ARG  83  14.951  -1.349  15.057
  632   HH11  ARG  83          1HH1      ARG  83  12.356   0.964  14.252
  633   HH12  ARG  83          2HH1      ARG  83  13.184   2.256  15.070
  634   HH21  ARG  83          1HH2      ARG  83  15.889   0.360  16.124
  635   HH22  ARG  83          2HH2      ARG  83  15.112   1.912  16.146
  636    H    ASN  84           H        ASN  84  17.192  -3.924  10.789
  637    HA   ASN  84           HA       ASN  84  19.638  -2.267  10.917
  638    HB2  ASN  84           1HB      ASN  84  19.015  -4.049  12.601
  639    HB3  ASN  84           2HB      ASN  84  19.322  -5.250  11.346
  640   HD21  ASN  84          2HD2      ASN  84  21.402  -6.078  11.426
  641   HD22  ASN  84          1HD2      ASN  84  22.792  -5.213  12.062
  642    H    GLU  85           H        GLU  85  17.983  -3.628   8.334
  643    HA   GLU  85           HA       GLU  85  20.419  -4.624   6.930
  644    HB2  GLU  85           1HB      GLU  85  18.607  -6.228   7.184
  645    HB3  GLU  85           2HB      GLU  85  17.478  -5.129   6.371
  646    HG2  GLU  85           1HG      GLU  85  18.667  -5.311   4.288
  647    HG3  GLU  85           2HG      GLU  85  20.045  -6.098   5.069
  648    H    HIS  86           H        HIS  86  21.389  -3.017   5.857
  649    HA   HIS  86           HA       HIS  86  19.863  -0.916   4.440
  650    HB2  HIS  86           1HB      HIS  86  21.702  -0.268   5.838
  651    HB3  HIS  86           2HB      HIS  86  22.777  -1.453   5.105
  652    HD2  HIS  86           2HD      HIS  86  24.030  -0.860   2.945
  653    HE1  HIS  86           1HE      HIS  86  22.515   3.081   2.356
  654    HE2  HIS  86           2HE      HIS  86  24.250   1.387   1.565
  655    H    GLY  87           H        GLY  87  21.479  -3.904   3.709
  656    HA2  GLY  87           1HA      GLY  87  22.270  -3.302   0.995
  657    HA3  GLY  87           2HA      GLY  87  22.308  -4.890   1.791
  658    H    ARG  88           H        ARG  88  19.202  -4.318   2.200
  659    HA   ARG  88           HA       ARG  88  18.256  -4.950  -0.562
  660    HB2  ARG  88           1HB      ARG  88  17.604  -6.492   1.984
  661    HB3  ARG  88           2HB      ARG  88  16.827  -6.731   0.418
  662    HG2  ARG  88           1HG      ARG  88  19.147  -7.264  -0.527
  663    HG3  ARG  88           2HG      ARG  88  19.686  -7.383   1.165
  664    HD2  ARG  88           1HD      ARG  88  17.455  -8.952  -0.195
  665    HD3  ARG  88           2HD      ARG  88  19.031  -9.546   0.316
  666    HE   ARG  88           HE       ARG  88  18.232  -8.825   2.698
  667   HH11  ARG  88          1HH1      ARG  88  16.099 -10.430   0.351
  668   HH12  ARG  88          2HH1      ARG  88  14.868 -10.711   1.558
  669   HH21  ARG  88          1HH2      ARG  88  16.591  -9.108   4.115
  670   HH22  ARG  88          2HH2      ARG  88  15.250 -10.185   3.707
  671    H    ARG  89           H        ARG  89  16.031  -4.943  -0.811
  672    HA   ARG  89           HA       ARG  89  14.127  -4.159   1.149
  673    HB2  ARG  89           1HB      ARG  89  13.384  -2.020   0.337
  674    HB3  ARG  89           2HB      ARG  89  15.088  -1.922   0.726
  675    HG2  ARG  89           1HG      ARG  89  15.400  -2.449  -1.885
  676    HG3  ARG  89           2HG      ARG  89  13.733  -1.841  -1.968
  677    HD2  ARG  89           1HD      ARG  89  14.564   0.188  -0.664
  678    HD3  ARG  89           2HD      ARG  89  16.188  -0.460  -0.842
  679    HE   ARG  89           HE       ARG  89  15.376  -0.417  -3.425
  680   HH11  ARG  89          1HH2      ARG  89  15.239   2.188  -1.019
  681   HH12  ARG  89          2HH2      ARG  89  15.173   3.422  -2.246
  682   HH21  ARG  89          1HH1      ARG  89  15.343   1.239  -4.930
  683   HH22  ARG  89          2HH1      ARG  89  15.271   2.894  -4.405
  684    H    ARG  90           H        ARG  90  11.932  -4.218   0.387
  685    HA   ARG  90           HA       ARG  90  11.491  -5.617  -2.247
  686    HB2  ARG  90           1HB      ARG  90  10.154  -5.965   0.466
  687    HB3  ARG  90           2HB      ARG  90   9.442  -6.556  -1.040
  688    HG2  ARG  90           1HG      ARG  90  11.366  -7.989  -1.472
  689    HG3  ARG  90           2HG      ARG  90  12.192  -7.386  -0.020
  690    HD2  ARG  90           1HD      ARG  90  10.483  -8.305   1.425
  691    HD3  ARG  90           2HD      ARG  90   9.472  -8.767   0.056
  692    HE   ARG  90           HE       ARG  90  11.878 -10.164   1.066
  693   HH11  ARG  90          1HH1      ARG  90   9.573 -10.030  -1.656
  694   HH12  ARG  90          2HH1      ARG  90  10.184 -11.527  -2.298
  695   HH21  ARG  90          1HH2      ARG  90  12.415 -12.028   0.360
  696   HH22  ARG  90          2HH2      ARG  90  11.734 -12.750  -1.089
  697    H    LYS  91           H        LYS  91  10.224  -4.575  -3.664
  698    HA   LYS  91           HA       LYS  91   9.065  -2.012  -3.143
  699    HB2  LYS  91           1HB      LYS  91   9.600  -3.774  -5.395
  700    HB3  LYS  91           2HB      LYS  91   7.960  -3.197  -5.527
  701    HG2  LYS  91           1HG      LYS  91  10.330  -1.343  -5.056
  702    HG3  LYS  91           2HG      LYS  91   9.820  -1.845  -6.661
  703    HD2  LYS  91           1HD      LYS  91   7.971  -0.434  -4.707
  704    HD3  LYS  91           2HD      LYS  91   8.955   0.420  -5.891
  705    HE2  LYS  91           1HE      LYS  91   7.785  -0.628  -7.731
  706    HE3  LYS  91           2HE      LYS  91   6.950  -1.745  -6.645
  707    HZ1  LYS  91           3HZ      LYS  91   5.532   0.121  -7.294
  708    HZ2  LYS  91           1HZ      LYS  91   5.761   0.110  -5.673
  709    HZ3  LYS  91           2HZ      LYS  91   6.564   1.193  -6.617
  710    H    ILE  92           H        ILE  92   7.012  -1.275  -2.971
  711    HA   ILE  92           HA       ILE  92   4.756  -3.220  -2.724
  712    HB   ILE  92           HB       ILE  92   3.899  -2.174  -0.767
  713   HG12  ILE  92          1HG1      ILE  92   6.025  -0.116  -1.184
  714   HG13  ILE  92          2HG1      ILE  92   4.311   0.088  -0.913
  715   HG21  ILE  92          1HG2      ILE  92   5.656  -3.953  -0.594
  716   HG22  ILE  92          2HG2      ILE  92   6.844  -2.677  -0.273
  717   HG23  ILE  92          3HG2      ILE  92   5.468  -2.928   0.825
  718   HD11  ILE  92          3HD1      ILE  92   5.559   0.845   1.038
  719   HD12  ILE  92          1HD1      ILE  92   4.670  -0.631   1.481
  720   HD13  ILE  92          2HD1      ILE  92   6.423  -0.689   1.158
  721    H    LYS  93           H        LYS  93   2.626  -2.149  -2.738
  722    HA   LYS  93           HA       LYS  93   2.387   0.366  -4.195
  723    HB2  LYS  93           1HB      LYS  93   1.384  -0.530  -6.197
  724    HB3  LYS  93           2HB      LYS  93   2.949  -1.308  -5.984
  725    HG2  LYS  93           1HG      LYS  93   1.798  -3.318  -5.026
  726    HG3  LYS  93           2HG      LYS  93   0.232  -2.529  -5.291
  727    HD2  LYS  93           1HD      LYS  93   0.732  -2.400  -7.733
  728    HD3  LYS  93           2HD      LYS  93   2.243  -3.290  -7.445
  729    HE2  LYS  93           1HE      LYS  93   0.921  -5.177  -6.475
  730    HE3  LYS  93           2HE      LYS  93  -0.574  -4.282  -6.782
  731    HZ1  LYS  93           3HZ      LYS  93  -0.133  -5.876  -8.547
  732    HZ2  LYS  93           1HZ      LYS  93  -0.057  -4.365  -9.160
  733    HZ3  LYS  93           2HZ      LYS  93   1.322  -5.206  -8.876
  734    H    ARG  94           H        ARG  94   0.083   0.882  -4.701
  735    HA   ARG  94           HA       ARG  94  -1.855  -0.274  -2.731
  736    HB2  ARG  94           1HB      ARG  94  -1.845   2.430  -4.122
  737    HB3  ARG  94           2HB      ARG  94  -3.188   1.787  -3.172
  738    HG2  ARG  94           1HG      ARG  94  -1.708   1.677  -1.160
  739    HG3  ARG  94           2HG      ARG  94  -0.410   2.440  -2.110
  740    HD2  ARG  94           1HD      ARG  94  -2.008   4.349  -2.616
  741    HD3  ARG  94           2HD      ARG  94  -3.189   3.585  -1.552
  742    HE   ARG  94           HE       ARG  94  -2.098   4.359   0.286
  743   HH11  ARG  94          1HH1      ARG  94   0.211   4.658  -2.403
  744   HH12  ARG  94          2HH1      ARG  94   1.223   5.767  -1.532
  745   HH21  ARG  94          1HH2      ARG  94  -0.807   5.857   1.284
  746   HH22  ARG  94          2HH2      ARG  94   0.666   6.425   0.546
  747    H    ASP  95           H        ASP  95  -3.932  -0.746  -3.448
  748    HA   ASP  95           HA       ASP  95  -4.693  -0.388  -6.251
  749    HB2  ASP  95           1HB      ASP  95  -3.618  -2.865  -5.625
  750    HB3  ASP  95           2HB      ASP  95  -5.342  -3.120  -5.312
  751    H    ILE  96           H        ILE  96  -7.034  -1.503  -6.428
  752    HA   ILE  96           HA       ILE  96  -8.698  -0.518  -4.130
  753    HB   ILE  96           HB       ILE  96  -9.144  -0.075  -7.097
  754   HG12  ILE  96          1HG1      ILE  96  -7.336   1.381  -6.233
  755   HG13  ILE  96          2HG1      ILE  96  -8.750   2.277  -6.753
  756   HG21  ILE  96          1HG2      ILE  96 -11.303  -0.250  -6.030
  757   HG22  ILE  96          2HG2      ILE  96 -10.791   0.732  -4.639
  758   HG23  ILE  96          3HG2      ILE  96 -11.011   1.473  -6.241
  759   HD11  ILE  96          3HD1      ILE  96  -7.680   3.050  -4.571
  760   HD12  ILE  96          1HD1      ILE  96  -9.429   2.737  -4.515
  761   HD13  ILE  96          2HD1      ILE  96  -8.306   1.548  -3.844
  762    H    ILE  97           H        ILE  97 -10.388  -1.684  -3.628
  763    HA   ILE  97           HA       ILE  97 -10.953  -4.250  -5.045
  764    HB   ILE  97           HB       ILE  97 -12.089  -3.223  -2.442
  765   HG12  ILE  97          1HG1      ILE  97 -10.677  -5.292  -1.627
  766   HG13  ILE  97          2HG1      ILE  97  -9.680  -4.939  -3.029
  767   HG21  ILE  97          1HG2      ILE  97 -13.616  -4.722  -3.511
  768   HG22  ILE  97          2HG2      ILE  97 -12.320  -5.903  -3.836
  769   HG23  ILE  97          3HG2      ILE  97 -12.853  -5.569  -2.167
  770   HD11  ILE  97          3HD1      ILE  97  -9.214  -3.855  -0.643
  771   HD12  ILE  97          1HD1      ILE  97  -8.930  -2.909  -2.120
  772   HD13  ILE  97          2HD1      ILE  97 -10.406  -2.661  -1.148
  773    H    ASP  98           H        ASP  98 -12.827  -4.627  -6.095
  774    HA   ASP  98           HA       ASP  98 -14.601  -2.308  -6.600
  775    HB2  ASP  98           1HB      ASP  98 -13.380  -3.404  -8.476
  776    HB3  ASP  98           2HB      ASP  98 -14.264  -4.895  -8.153
  777    H    ILE  99           H        ILE  99 -14.756  -5.435  -5.175
  778    HA   ILE  99           HA       ILE  99 -16.248  -6.491  -3.868
  779    HB   ILE  99           HB       ILE  99 -18.088  -4.114  -4.158
  780   HG12  ILE  99          1HG1      ILE  99 -15.889  -3.462  -3.186
  781   HG13  ILE  99          2HG1      ILE  99 -17.234  -3.265  -2.085
  782   HG21  ILE  99          1HG2      ILE  99 -19.363  -5.992  -3.375
  783   HG22  ILE  99          2HG2      ILE  99 -18.149  -6.369  -2.136
  784   HG23  ILE  99          3HG2      ILE  99 -19.099  -4.874  -2.042
  785   HD11  ILE  99          3HD1      ILE  99 -15.164  -4.186  -1.026
  786   HD12  ILE  99          1HD1      ILE  99 -16.582  -5.223  -0.805
  787   HD13  ILE  99          2HD1      ILE  99 -15.343  -5.657  -2.001
  788    HA   PRO 100           HA       PRO 100 -18.656  -8.547  -7.052
  789    HB2  PRO 100           1HB      PRO 100 -19.350 -10.826  -5.740
  790    HB3  PRO 100           2HB      PRO 100 -17.670 -10.483  -6.237
  791    HG2  PRO 100           1HG      PRO 100 -18.951 -10.035  -3.515
  792    HG3  PRO 100           2HG      PRO 100 -17.390 -10.837  -3.877
  793    HD2  PRO 100           1HD      PRO 100 -17.576  -8.195  -3.139
  794    HD3  PRO 100           2HD      PRO 100 -16.322  -8.780  -4.267
  795    H    LYS 101           H        LYS 101 -20.843  -9.331  -7.397
  796    HA   LYS 101           HA       LYS 101 -22.831  -7.563  -6.395
  797    HB2  LYS 101           1HB      LYS 101 -24.424  -8.882  -7.658
  798    HB3  LYS 101           2HB      LYS 101 -22.949  -8.618  -8.586
  799    HG2  LYS 101           1HG      LYS 101 -22.196 -10.944  -8.024
  800    HG3  LYS 101           2HG      LYS 101 -23.712 -11.200  -7.139
  801    HD2  LYS 101           1HD      LYS 101 -25.000 -10.789  -9.217
  802    HD3  LYS 101           2HD      LYS 101 -23.482 -10.525 -10.106
  803    HE2  LYS 101           1HE      LYS 101 -22.751 -12.835  -9.532
  804    HE3  LYS 101           2HE      LYS 101 -24.263 -13.098  -8.656
  805    HZ1  LYS 101           3HZ      LYS 101 -24.376 -13.995 -10.903
  806    HZ2  LYS 101           1HZ      LYS 101 -25.456 -12.781 -10.753
  807    HZ3  LYS 101           2HZ      LYS 101 -24.057 -12.535 -11.563
  808    H    LYS 102           H        LYS 102 -21.878 -10.702  -5.167
  809    HA   LYS 102           HA       LYS 102 -24.072 -11.108  -3.329
  810    HB2  LYS 102           1HB      LYS 102 -22.516 -12.828  -4.271
  811    HB3  LYS 102           2HB      LYS 102 -21.212 -12.171  -3.277
  812    HG2  LYS 102           1HG      LYS 102 -22.499 -12.736  -1.222
  813    HG3  LYS 102           2HG      LYS 102 -23.817 -13.372  -2.217
  814    HD2  LYS 102           1HD      LYS 102 -20.960 -14.445  -2.154
  815    HD3  LYS 102           2HD      LYS 102 -22.328 -15.123  -1.264
  816    HE2  LYS 102           1HE      LYS 102 -23.513 -15.551  -3.419
  817    HE3  LYS 102           2HE      LYS 102 -22.113 -14.928  -4.304
  818    HZ1  LYS 102           3HZ      LYS 102 -22.054 -17.340  -4.152
  819    HZ2  LYS 102           1HZ      LYS 102 -20.784 -16.718  -3.334
  820    HZ3  LYS 102           2HZ      LYS 102 -22.079 -17.298  -2.520
  821    H    GLY 103           H        GLY 103 -21.228  -9.088  -3.167
  822    HA2  GLY 103           1HA      GLY 103 -21.268  -8.754  -0.234
  823    HA3  GLY 103           2HA      GLY 103 -20.132  -8.044  -1.407
  824    H    VAL 104           H        VAL 104 -22.890  -7.229  -2.788
  825    HA   VAL 104           HA       VAL 104 -22.820  -4.486  -1.803
  826    HB   VAL 104           HB       VAL 104 -24.711  -5.791  -3.806
  827   HG11  VAL 104          1HG1      VAL 104 -25.741  -3.744  -2.885
  828   HG12  VAL 104          2HG1      VAL 104 -24.237  -2.840  -3.164
  829   HG13  VAL 104          3HG1      VAL 104 -25.187  -3.451  -4.534
  830   HG21  VAL 104          3HG2      VAL 104 -23.318  -4.622  -5.501
  831   HG22  VAL 104          1HG2      VAL 104 -22.214  -4.083  -4.219
  832   HG23  VAL 104          2HG2      VAL 104 -22.377  -5.809  -4.598
  833    H    SER 105           H        SER 105 -23.845  -3.767  -0.083
  834    HA   SER 105           HA       SER 105 -26.629  -4.350   0.575
  835    HB2  SER 105           1HB      SER 105 -24.361  -5.360   2.331
  836    HB3  SER 105           2HB      SER 105 -25.945  -4.945   2.994
  837    HG   SER 105           HG       SER 105 -25.577  -6.812   0.870
  838    H    GLY 106           H        GLY 106 -27.532  -2.663   1.691
  839    HA2  GLY 106           1HA      GLY 106 -25.814  -0.331   2.434
  840    HA3  GLY 106           2HA      GLY 106 -27.547  -0.295   2.069
  841    HA   PRO 107           HA       PRO 107 -26.920  -0.565   6.743
  842    HB2  PRO 107           1HB      PRO 107 -27.377   2.006   7.509
  843    HB3  PRO 107           2HB      PRO 107 -25.767   1.444   6.968
  844    HG2  PRO 107           1HG      PRO 107 -27.884   2.875   5.325
  845    HG3  PRO 107           2HG      PRO 107 -26.141   3.272   5.468
  846    HD2  PRO 107           1HD      PRO 107 -27.132   1.781   3.400
  847    HD3  PRO 107           2HD      PRO 107 -25.520   1.453   4.103
  848    H    SER 108           H        SER 108 -28.668  -0.662   8.212
  849    HA   SER 108           HA       SER 108 -31.261  -0.965   7.002
  850    HB2  SER 108           1HB      SER 108 -30.481  -1.111   9.934
  851    HB3  SER 108           2HB      SER 108 -31.933  -1.794   9.185
  852    HG   SER 108           HG       SER 108 -30.288  -3.381   9.479
  853    H    SER 109           H        SER 109 -29.928   1.892   8.033
  854    HA   SER 109           HA       SER 109 -32.389   3.399   8.138
  855    HB2  SER 109           1HB      SER 109 -30.899   2.847  10.732
  856    HB3  SER 109           2HB      SER 109 -31.865   4.307  10.505
  857    HG   SER 109           HG       SER 109 -32.978   1.763   9.976
  858    H    GLY 110           H        GLY 110 -31.983   5.721   8.434
  859    HA2  GLY 110           1HA      GLY 110 -29.332   6.838   8.599
  860    HA3  GLY 110           2HA      GLY 110 -29.905   6.815   6.928
  861   H5'1  ATP 201          H5"       ATP 111  12.124 -13.952   4.775
  862   H5'2  ATP 201          H5'       ATP 111  11.830 -12.473   5.687
  863    H4'  ATP 201           H4'      ATP 111  10.000 -14.154   5.819
  864    H3'  ATP 201           H3'      ATP 111  10.273 -14.557   3.099
  865   HO3'  ATP 201          H3T       ATP 111   7.972 -15.344   3.366
  866    H2'  ATP 201           H2'      ATP 111   9.493 -12.403   2.489
  867   HO2'  ATP 201          2HO       ATP 111   8.072 -13.898   1.417
  868    H1'  ATP 201           H1'      ATP 111   7.317 -12.665   4.582
  869    H8   ATP 201           8H       ATP 111   9.900 -10.117   3.124
  870   HN61  ATP 201          2H6       ATP 111   6.712  -6.376   2.857
  871   HN62  ATP 201          1H6       ATP 111   5.048  -6.212   3.419
  872    H2   ATP 201           2H       ATP 111   3.833  -9.930   5.272
  Start of MODEL    8
    1    HA   PRO   1           HA       PRO   1  12.111  25.261   1.601
    2    HB2  PRO   1           1HB      PRO   1  12.825  24.669   4.418
    3    HB3  PRO   1           2HB      PRO   1  12.764  23.630   2.975
    4    HG2  PRO   1           1HG      PRO   1  15.056  25.188   4.096
    5    HG3  PRO   1           2HG      PRO   1  15.102  23.783   2.988
    6    HD2  PRO   1           1HD      PRO   1  15.713  26.235   2.058
    7    HD3  PRO   1           2HD      PRO   1  14.699  25.133   1.092
    8    H    SER   2           H        SER   2  12.392  26.893   4.821
    9    HA   SER   2           HA       SER   2  11.038  28.292   5.961
   10    HB2  SER   2           1HB      SER   2   9.737  28.957   3.305
   11    HB3  SER   2           2HB      SER   2   9.747  29.936   4.775
   12    HG   SER   2           HG       SER   2  11.354  30.628   3.280
   13    H    SER   3           H        SER   3   9.880  25.460   5.063
   14    HA   SER   3           HA       SER   3   7.505  25.568   6.722
   15    HB2  SER   3           1HB      SER   3   6.696  26.465   4.486
   16    HB3  SER   3           2HB      SER   3   7.108  24.892   3.783
   17    HG   SER   3           HG       SER   3   4.883  25.053   4.452
   18    H    GLY   4           H        GLY   4   6.526  23.376   6.929
   19    HA2  GLY   4           1HA      GLY   4   8.650  21.344   7.126
   20    HA3  GLY   4           2HA      GLY   4   7.015  21.252   7.805
   21    H    SER   5           H        SER   5   8.455  19.198   6.433
   22    HA   SER   5           HA       SER   5   7.308  18.851   3.771
   23    HB2  SER   5           1HB      SER   5   8.877  16.901   5.492
   24    HB3  SER   5           2HB      SER   5   8.576  16.777   3.752
   25    HG   SER   5           HG       SER   5  10.661  17.649   4.207
   26    H    SER   6           H        SER   6   5.705  18.637   6.560
   27    HA   SER   6           HA       SER   6   4.696  16.004   6.723
   28    HB2  SER   6           1HB      SER   6   3.472  18.529   7.870
   29    HB3  SER   6           2HB      SER   6   3.339  16.887   8.513
   30    HG   SER   6           HG       SER   6   5.536  16.955   9.072
   31    H    GLY   7           H        GLY   7   4.091  17.242   4.040
   32    HA2  GLY   7           1HA      GLY   7   1.122  17.311   3.885
   33    HA3  GLY   7           2HA      GLY   7   2.272  17.545   2.555
   34    H    PHE   8           H        PHE   8   0.336  16.109   1.797
   35    HA   PHE   8           HA       PHE   8   0.629  13.237   2.201
   36    HB2  PHE   8           1HB      PHE   8  -1.095  13.031   0.552
   37    HB3  PHE   8           2HB      PHE   8  -1.533  14.314   1.654
   38    HD1  PHE   8           2HD      PHE   8  -1.583  16.682   0.898
   39    HD2  PHE   8           1HD      PHE   8  -0.545  13.486  -1.806
   40    HE1  PHE   8           2HE      PHE   8  -1.881  18.214  -1.032
   41    HE2  PHE   8           1HE      PHE   8  -0.840  15.022  -3.733
   42    HZ   PHE   8           HZ       PHE   8  -1.505  17.388  -3.349
   43    H    LEU   9           H        LEU   9   0.871  11.839   0.151
   44    HA   LEU   9           HA       LEU   9   3.155  12.781  -1.526
   45    HB2  LEU   9           1HB      LEU   9   3.895  11.208   0.241
   46    HB3  LEU   9           2HB      LEU   9   2.700  10.030  -0.303
   47    HG   LEU   9           HG       LEU   9   3.873   9.860  -2.502
   48   HD11  LEU   9          1HD1      LEU   9   4.959  12.071  -2.646
   49   HD12  LEU   9          2HD1      LEU   9   5.941  11.702  -1.212
   50   HD13  LEU   9          3HD1      LEU   9   6.172  10.794  -2.722
   51   HD21  LEU   9          3HD2      LEU   9   5.825   8.625  -1.664
   52   HD22  LEU   9          1HD2      LEU   9   5.639   9.386  -0.068
   53   HD23  LEU   9          2HD2      LEU   9   4.383   8.290  -0.691
   54    H    ASP  10           H        ASP  10   3.021  12.458  -3.647
   55    HA   ASP  10           HA       ASP  10   1.286  10.447  -4.859
   56    HB2  ASP  10           1HB      ASP  10  -0.061  12.616  -4.571
   57    HB3  ASP  10           2HB      ASP  10   1.114  13.351  -5.672
   58    H    LYS  11           H        LYS  11   1.654  10.533  -7.288
   59    HA   LYS  11           HA       LYS  11   4.478  11.084  -8.042
   60    HB2  LYS  11           1HB      LYS  11   3.030   8.443  -7.678
   61    HB3  LYS  11           2HB      LYS  11   4.314   8.553  -8.855
   62    HG2  LYS  11           1HG      LYS  11   5.369   9.802  -6.516
   63    HG3  LYS  11           2HG      LYS  11   4.481   8.388  -5.936
   64    HD2  LYS  11           1HD      LYS  11   5.822   6.975  -7.527
   65    HD3  LYS  11           2HD      LYS  11   6.690   8.451  -8.042
   66    HE2  LYS  11           1HE      LYS  11   7.407   8.829  -5.674
   67    HE3  LYS  11           2HE      LYS  11   6.562   7.357  -5.181
   68    HZ1  LYS  11           3HZ      LYS  11   8.914   6.953  -5.489
   69    HZ2  LYS  11           1HZ      LYS  11   8.082   6.093  -6.607
   70    HZ3  LYS  11           2HZ      LYS  11   8.870   7.461  -7.044
   71    HA   PRO  12           HA       PRO  12   3.009  12.121 -11.964
   72    HB2  PRO  12           1HB      PRO  12   5.006  11.413 -13.691
   73    HB3  PRO  12           2HB      PRO  12   5.186  12.669 -12.440
   74    HG2  PRO  12           1HG      PRO  12   5.982   9.747 -12.312
   75    HG3  PRO  12           2HG      PRO  12   6.996  11.168 -11.887
   76    HD2  PRO  12           1HD      PRO  12   5.641   9.717 -10.000
   77    HD3  PRO  12           2HD      PRO  12   5.851  11.462  -9.825
   78    H    THR  13           H        THR  13   2.686  11.403 -14.246
   79    HA   THR  13           HA       THR  13   1.978   8.692 -14.901
   80    HB   THR  13           HB       THR  13   0.338   9.163 -13.047
   81    HG1  THR  13           1HG      THR  13  -0.392   7.681 -14.391
   82   HG21  THR  13          3HG2      THR  13  -1.399  10.722 -13.293
   83   HG22  THR  13          1HG2      THR  13   0.062  11.635 -13.648
   84   HG23  THR  13          2HG2      THR  13  -0.983  11.094 -14.982
   85    H    LEU  14           H        LEU  14   0.341   8.707 -16.684
   86    HA   LEU  14           HA       LEU  14   1.002  10.785 -18.748
   87    HB2  LEU  14           1HB      LEU  14   0.011   7.919 -18.972
   88    HB3  LEU  14           2HB      LEU  14   0.421   8.942 -20.333
   89    HG   LEU  14           HG       LEU  14   2.607   8.498 -18.283
   90   HD11  LEU  14          1HD1      LEU  14   1.570   6.309 -18.450
   91   HD12  LEU  14          2HD1      LEU  14   1.678   6.358 -20.228
   92   HD13  LEU  14          3HD1      LEU  14   3.164   6.315 -19.240
   93   HD21  LEU  14          3HD2      LEU  14   4.020   8.484 -20.275
   94   HD22  LEU  14          1HD2      LEU  14   2.594   8.532 -21.331
   95   HD23  LEU  14          2HD2      LEU  14   2.976   9.917 -20.284
   96    H    LEU  15           H        LEU  15  -1.530   9.404 -16.840
   97    HA   LEU  15           HA       LEU  15  -3.728   9.936 -18.660
   98    HB2  LEU  15           1HB      LEU  15  -3.971   9.429 -15.686
   99    HB3  LEU  15           2HB      LEU  15  -5.164   9.135 -16.931
  100    HG   LEU  15           HG       LEU  15  -2.599   7.556 -16.495
  101   HD11  LEU  15          1HD1      LEU  15  -4.420   7.130 -14.870
  102   HD12  LEU  15          2HD1      LEU  15  -5.533   6.780 -16.211
  103   HD13  LEU  15          3HD1      LEU  15  -4.132   5.729 -15.915
  104   HD21  LEU  15          3HD2      LEU  15  -3.446   6.036 -18.278
  105   HD22  LEU  15          1HD2      LEU  15  -4.742   7.197 -18.640
  106   HD23  LEU  15          2HD2      LEU  15  -3.038   7.632 -18.910
  107    H    SER  16           H        SER  16  -5.734  10.946 -17.543
  108    HA   SER  16           HA       SER  16  -5.268  13.816 -17.232
  109    HB2  SER  16           1HB      SER  16  -7.656  12.012 -17.646
  110    HB3  SER  16           2HB      SER  16  -7.827  13.703 -17.364
  111    HG   SER  16           HG       SER  16  -7.764  13.209 -19.632
  112    HA   PRO  17           HA       PRO  17  -5.970  13.989 -12.851
  113    HB2  PRO  17           1HB      PRO  17  -7.401  16.304 -12.539
  114    HB3  PRO  17           2HB      PRO  17  -5.674  16.269 -13.013
  115    HG2  PRO  17           1HG      PRO  17  -8.097  16.507 -14.831
  116    HG3  PRO  17           2HG      PRO  17  -6.610  17.514 -14.829
  117    HD2  PRO  17           1HD      PRO  17  -6.908  15.430 -16.547
  118    HD3  PRO  17           2HD      PRO  17  -5.321  15.798 -15.797
  119    H    GLU  18           H        GLU  18  -8.699  13.839 -15.042
  120    HA   GLU  18           HA       GLU  18 -10.684  13.312 -12.957
  121    HB2  GLU  18           1HB      GLU  18 -10.872  12.880 -15.965
  122    HB3  GLU  18           2HB      GLU  18 -12.205  12.931 -14.803
  123    HG2  GLU  18           1HG      GLU  18 -11.554  15.325 -14.279
  124    HG3  GLU  18           2HG      GLU  18 -10.379  15.242 -15.600
  125    H    GLU  19           H        GLU  19  -8.561  11.381 -15.037
  126    HA   GLU  19           HA       GLU  19  -9.971   8.858 -14.869
  127    HB2  GLU  19           1HB      GLU  19  -7.172   9.748 -15.638
  128    HB3  GLU  19           2HB      GLU  19  -7.561   8.051 -15.522
  129    HG2  GLU  19           1HG      GLU  19  -8.964  10.075 -17.320
  130    HG3  GLU  19           2HG      GLU  19  -7.679   8.976 -17.814
  131    H    LEU  20           H        LEU  20  -7.115  10.170 -13.294
  132    HA   LEU  20           HA       LEU  20  -6.406   7.951 -11.647
  133    HB2  LEU  20           1HB      LEU  20  -5.931  10.923 -11.183
  134    HB3  LEU  20           2HB      LEU  20  -4.974   9.627 -10.496
  135    HG   LEU  20           HG       LEU  20  -5.147   9.795 -13.523
  136   HD11  LEU  20          1HD1      LEU  20  -4.840  12.105 -12.662
  137   HD12  LEU  20          2HD1      LEU  20  -3.321  11.583 -11.903
  138   HD13  LEU  20          3HD1      LEU  20  -3.526  11.507 -13.683
  139   HD21  LEU  20          3HD2      LEU  20  -2.914   8.906 -13.425
  140   HD22  LEU  20          1HD2      LEU  20  -2.845   9.111 -11.661
  141   HD23  LEU  20          2HD2      LEU  20  -3.955   7.923 -12.386
  142    H    LYS  21           H        LYS  21  -8.227  10.916 -10.937
  143    HA   LYS  21           HA       LYS  21  -9.082  10.202  -8.272
  144    HB2  LYS  21           1HB      LYS  21 -10.007  12.155 -10.384
  145    HB3  LYS  21           2HB      LYS  21 -11.053  11.828  -9.013
  146    HG2  LYS  21           1HG      LYS  21  -9.620  13.821  -8.705
  147    HG3  LYS  21           2HG      LYS  21  -9.488  12.615  -7.424
  148    HD2  LYS  21           1HD      LYS  21  -7.303  11.895  -8.205
  149    HD3  LYS  21           2HD      LYS  21  -7.474  12.827  -9.690
  150    HE2  LYS  21           1HE      LYS  21  -5.988  14.028  -8.250
  151    HE3  LYS  21           2HE      LYS  21  -7.492  14.940  -8.383
  152    HZ1  LYS  21           3HZ      LYS  21  -6.695  14.825  -6.092
  153    HZ2  LYS  21           1HZ      LYS  21  -8.134  14.065  -6.201
  154    HZ3  LYS  21           2HZ      LYS  21  -6.750  13.194  -6.093
  155    H    ALA  22           H        ALA  22 -10.702   9.591 -11.460
  156    HA   ALA  22           HA       ALA  22 -13.006   8.364 -10.291
  157    HB1  ALA  22           1HB      ALA  22 -12.994   9.242 -12.571
  158    HB2  ALA  22           2HB      ALA  22 -11.796   8.021 -13.066
  159    HB3  ALA  22           3HB      ALA  22 -13.430   7.526 -12.580
  160    H    ALA  23           H        ALA  23  -9.888   6.893 -11.249
  161    HA   ALA  23           HA       ALA  23 -10.553   4.173 -10.937
  162    HB1  ALA  23           1HB      ALA  23  -8.396   5.079 -11.831
  163    HB2  ALA  23           2HB      ALA  23  -7.952   5.573 -10.173
  164    HB3  ALA  23           3HB      ALA  23  -8.148   3.859 -10.560
  165    H    SER  24           H        SER  24 -10.009   6.574  -8.419
  166    HA   SER  24           HA       SER  24 -10.115   4.503  -6.284
  167    HB2  SER  24           1HB      SER  24  -8.391   6.253  -6.169
  168    HB3  SER  24           2HB      SER  24  -9.650   7.500  -6.124
  169    HG   SER  24           HG       SER  24  -8.896   6.929  -4.012
  170    H    ARG  25           H        ARG  25 -11.791   7.539  -7.184
  171    HA   ARG  25           HA       ARG  25 -13.814   7.456  -5.239
  172    HB2  ARG  25           1HB      ARG  25 -12.963   9.376  -6.642
  173    HB3  ARG  25           2HB      ARG  25 -13.935   8.777  -7.973
  174    HG2  ARG  25           1HG      ARG  25 -15.019  10.624  -6.820
  175    HG3  ARG  25           2HG      ARG  25 -16.002   9.168  -6.685
  176    HD2  ARG  25           1HD      ARG  25 -15.235   8.840  -4.366
  177    HD3  ARG  25           2HD      ARG  25 -14.127  10.223  -4.521
  178    HE   ARG  25           HE       ARG  25 -16.767  11.076  -5.153
  179   HH11  ARG  25          1HH1      ARG  25 -14.951  10.066  -2.287
  180   HH12  ARG  25          2HH1      ARG  25 -15.949  11.000  -1.214
  181   HH21  ARG  25          1HH2      ARG  25 -18.014  12.259  -3.713
  182   HH22  ARG  25          2HH2      ARG  25 -17.659  12.222  -2.013
  183    H    GLY  26           H        GLY  26 -13.657   5.763  -8.259
  184    HA2  GLY  26           1HA      GLY  26 -16.373   5.232  -8.831
  185    HA3  GLY  26           2HA      GLY  26 -15.003   4.187  -9.263
  186    H    ASN  27           H        ASN  27 -14.482   3.914  -6.210
  187    HA   ASN  27           HA       ASN  27 -16.943   2.638  -5.249
  188    HB2  ASN  27           1HB      ASN  27 -15.851   0.781  -6.449
  189    HB3  ASN  27           2HB      ASN  27 -14.385   1.015  -5.493
  190   HD21  ASN  27          2HD2      ASN  27 -14.272  -0.717  -4.107
  191   HD22  ASN  27          1HD2      ASN  27 -15.535  -1.084  -2.933
  192    H    GLY  28           H        GLY  28 -13.577   3.655  -4.467
  193    HA2  GLY  28           1HA      GLY  28 -13.015   5.037  -2.692
  194    HA3  GLY  28           2HA      GLY  28 -14.596   4.752  -1.928
  195    H    GLU  29           H        GLU  29 -13.039   1.877  -2.790
  196    HA   GLU  29           HA       GLU  29 -12.266   1.140  -0.046
  197    HB2  GLU  29           1HB      GLU  29 -13.044  -0.210  -2.465
  198    HB3  GLU  29           2HB      GLU  29 -11.438  -0.712  -2.068
  199    HG2  GLU  29           1HG      GLU  29 -12.968  -2.241  -0.971
  200    HG3  GLU  29           2HG      GLU  29 -12.259  -1.244   0.290
  201    H    TYR  30           H        TYR  30 -10.093  -0.279  -0.129
  202    HA   TYR  30           HA       TYR  30  -7.891   0.679  -1.686
  203    HB2  TYR  30           1HB      TYR  30  -6.635   1.844   0.001
  204    HB3  TYR  30           2HB      TYR  30  -8.162   2.662  -0.242
  205    HD1  TYR  30           1HD      TYR  30 -10.099   2.100   1.417
  206    HD2  TYR  30           2HD      TYR  30  -5.981   1.052   2.147
  207    HE1  TYR  30           1HE      TYR  30 -10.586   1.878   3.862
  208    HE2  TYR  30           2HE      TYR  30  -6.464   0.794   4.575
  209    HH   TYR  30           HH       TYR  30  -8.061   0.923   6.230
  210    H    ALA  31           H        ALA  31  -5.996  -0.425  -1.336
  211    HA   ALA  31           HA       ALA  31  -5.687  -2.351   0.865
  212    HB1  ALA  31           1HB      ALA  31  -6.889  -3.782  -0.587
  213    HB2  ALA  31           2HB      ALA  31  -6.124  -3.130  -2.048
  214    HB3  ALA  31           3HB      ALA  31  -5.206  -4.169  -0.926
  215    H    TRP  32           H        TRP  32  -3.601  -3.210   1.006
  216    HA   TRP  32           HA       TRP  32  -1.455  -1.854  -0.572
  217    HB2  TRP  32           1HB      TRP  32  -1.551  -2.592   2.368
  218    HB3  TRP  32           2HB      TRP  32  -0.050  -2.339   1.501
  219    HD1  TRP  32           HD       TRP  32  -3.256  -0.265   2.185
  220    HE1  TRP  32           1HE      TRP  32  -2.609   2.212   2.294
  221    HE3  TRP  32           3HE      TRP  32   1.737  -0.697   1.126
  222    HZ2  TRP  32           2HZ      TRP  32  -0.128   3.768   2.319
  223    HZ3  TRP  32           3HZ      TRP  32   3.194   1.325   1.157
  224    HH2  TRP  32           HH       TRP  32   2.267   3.508   1.773
  225    H    TYR  33           H        TYR  33   0.252  -3.089  -1.224
  226    HA   TYR  33           HA       TYR  33   0.115  -6.046  -0.875
  227    HB2  TYR  33           1HB      TYR  33   0.302  -4.511  -3.492
  228    HB3  TYR  33           2HB      TYR  33   0.659  -6.216  -3.339
  229    HD1  TYR  33           2HD      TYR  33  -2.119  -3.716  -2.924
  230    HD2  TYR  33           1HD      TYR  33  -1.012  -7.827  -3.625
  231    HE1  TYR  33           2HE      TYR  33  -4.498  -4.279  -3.394
  232    HE2  TYR  33           1HE      TYR  33  -3.379  -8.384  -4.114
  233    HH   TYR  33           HH       TYR  33  -5.529  -7.586  -4.319
  234    H    TYR  34           H        TYR  34   2.072  -7.156  -1.254
  235    HA   TYR  34           HA       TYR  34   4.570  -5.533  -1.533
  236    HB2  TYR  34           1HB      TYR  34   5.668  -6.897   0.092
  237    HB3  TYR  34           2HB      TYR  34   4.234  -6.209   0.823
  238    HD1  TYR  34           2HD      TYR  34   2.280  -7.602   1.411
  239    HD2  TYR  34           1HD      TYR  34   5.903  -9.316  -0.183
  240    HE1  TYR  34           2HE      TYR  34   1.563  -9.839   2.207
  241    HE2  TYR  34           1HE      TYR  34   5.191 -11.562   0.619
  242    HH   TYR  34           HH       TYR  34   2.093 -12.078   2.359
  243    H    GLU  35           H        GLU  35   6.315  -6.554  -2.632
  244    HA   GLU  35           HA       GLU  35   5.541  -8.729  -4.485
  245    HB2  GLU  35           1HB      GLU  35   8.160  -7.199  -4.199
  246    HB3  GLU  35           2HB      GLU  35   7.842  -8.503  -5.351
  247    HG2  GLU  35           1HG      GLU  35   5.851  -7.097  -6.181
  248    HG3  GLU  35           2HG      GLU  35   6.527  -5.784  -5.205
  249    H    GLY  36           H        GLY  36   5.443 -10.687  -3.658
  250    HA2  GLY  36           1HA      GLY  36   7.498 -11.730  -1.739
  251    HA3  GLY  36           2HA      GLY  36   5.956 -12.492  -2.165
  252    H    ARG  37           H        ARG  37   7.219 -14.421  -2.488
  253    HA   ARG  37           HA       ARG  37   9.322 -14.705  -4.333
  254    HB2  ARG  37           1HB      ARG  37   8.547 -16.327  -2.518
  255    HB3  ARG  37           2HB      ARG  37   7.246 -16.805  -3.594
  256    HG2  ARG  37           1HG      ARG  37   8.730 -18.459  -4.070
  257    HG3  ARG  37           2HG      ARG  37   9.254 -17.319  -5.300
  258    HD2  ARG  37           1HD      ARG  37  10.500 -17.768  -2.555
  259    HD3  ARG  37           2HD      ARG  37  11.143 -18.359  -4.092
  260    HE   ARG  37           HE       ARG  37  11.141 -15.752  -4.633
  261   HH11  ARG  37          1HH1      ARG  37  12.339 -17.367  -1.705
  262   HH12  ARG  37          2HH1      ARG  37  13.481 -16.082  -1.369
  263   HH21  ARG  37          1HH2      ARG  37  12.583 -14.100  -4.046
  264   HH22  ARG  37          2HH2      ARG  37  13.533 -14.269  -2.580
  265    H    ASN  38           H        ASN  38   5.835 -15.156  -4.873
  266    HA   ASN  38           HA       ASN  38   6.299 -15.738  -7.748
  267    HB2  ASN  38           1HB      ASN  38   3.954 -16.304  -5.914
  268    HB3  ASN  38           2HB      ASN  38   4.021 -16.751  -7.617
  269   HD21  ASN  38          2HD2      ASN  38   3.861 -18.446  -5.095
  270   HD22  ASN  38          1HD2      ASN  38   5.205 -19.561  -5.263
  271    H    GLY  39           H        GLY  39   5.196 -13.046  -5.962
  272    HA2  GLY  39           1HA      GLY  39   4.879 -11.220  -7.916
  273    HA3  GLY  39           2HA      GLY  39   3.321 -12.029  -8.004
  274    H    TRP  40           H        TRP  40   2.452  -9.900  -7.457
  275    HA   TRP  40           HA       TRP  40   2.799  -8.701  -4.877
  276    HB2  TRP  40           1HB      TRP  40   0.531  -8.527  -6.892
  277    HB3  TRP  40           2HB      TRP  40   0.717  -7.490  -5.487
  278    HD1  TRP  40           HD       TRP  40   1.762  -7.804  -9.032
  279    HE1  TRP  40           1HE      TRP  40   3.428  -5.984  -9.680
  280    HE3  TRP  40           3HE      TRP  40   2.846  -6.019  -4.363
  281    HZ2  TRP  40           2HZ      TRP  40   4.939  -3.887  -8.348
  282    HZ3  TRP  40           3HZ      TRP  40   4.403  -4.123  -4.083
  283    HH2  TRP  40           HH       TRP  40   5.457  -3.038  -6.046
  284    H    TRP  41           H        TRP  41   1.942  -9.160  -2.960
  285    HA   TRP  41           HA       TRP  41  -0.529 -10.826  -2.728
  286    HB2  TRP  41           1HB      TRP  41   2.009 -11.040  -1.066
  287    HB3  TRP  41           2HB      TRP  41   0.514 -11.931  -0.773
  288    HD1  TRP  41           HD       TRP  41   3.728 -12.424  -2.296
  289    HE1  TRP  41           1HE      TRP  41   3.755 -14.203  -4.153
  290    HE3  TRP  41           3HE      TRP  41  -1.313 -12.986  -2.943
  291    HZ2  TRP  41           2HZ      TRP  41   1.834 -15.471  -5.894
  292    HZ3  TRP  41           3HZ      TRP  41  -2.191 -14.416  -4.737
  293    HH2  TRP  41           HH       TRP  41  -0.637 -15.676  -6.235
  294    H    GLN  42           H        GLN  42  -1.970 -10.228  -1.145
  295    HA   GLN  42           HA       GLN  42  -1.804  -7.406  -0.448
  296    HB2  GLN  42           1HB      GLN  42  -3.823  -8.701  -1.400
  297    HB3  GLN  42           2HB      GLN  42  -4.049  -9.332   0.235
  298    HG2  GLN  42           1HG      GLN  42  -4.196  -6.926   1.048
  299    HG3  GLN  42           2HG      GLN  42  -4.083  -6.404  -0.633
  300   HE21  GLN  42          2HE2      GLN  42  -5.990  -6.671  -2.017
  301   HE22  GLN  42          1HE2      GLN  42  -7.517  -7.168  -1.309
  302    H    TYR  43           H        TYR  43  -1.738  -6.450   1.549
  303    HA   TYR  43           HA       TYR  43  -0.791  -7.921   3.882
  304    HB2  TYR  43           1HB      TYR  43  -1.535  -5.055   3.260
  305    HB3  TYR  43           2HB      TYR  43  -1.264  -5.556   4.919
  306    HD1  TYR  43           1HD      TYR  43   0.930  -6.632   5.587
  307    HD2  TYR  43           2HD      TYR  43   0.352  -4.585   1.846
  308    HE1  TYR  43           1HE      TYR  43   3.388  -6.346   5.366
  309    HE2  TYR  43           2HE      TYR  43   2.806  -4.251   1.635
  310    HH   TYR  43           HH       TYR  43   5.061  -5.532   4.109
  311    H    ASP  44           H        ASP  44  -1.784  -7.729   6.010
  312    HA   ASP  44           HA       ASP  44  -4.674  -8.368   6.058
  313    HB2  ASP  44           1HB      ASP  44  -2.601  -8.119   8.270
  314    HB3  ASP  44           2HB      ASP  44  -4.275  -8.595   8.505
  315    H    GLU  45           H        GLU  45  -6.228  -7.116   7.075
  316    HA   GLU  45           HA       GLU  45  -6.024  -4.306   6.765
  317    HB2  GLU  45           1HB      GLU  45  -8.256  -4.202   7.745
  318    HB3  GLU  45           2HB      GLU  45  -8.122  -5.457   6.514
  319    HG2  GLU  45           1HG      GLU  45  -7.968  -7.197   8.271
  320    HG3  GLU  45           2HG      GLU  45  -8.025  -5.955   9.522
  321    H    ARG  46           H        ARG  46  -5.143  -6.224   9.491
  322    HA   ARG  46           HA       ARG  46  -5.154  -4.230  11.591
  323    HB2  ARG  46           1HB      ARG  46  -3.466  -6.735  11.081
  324    HB3  ARG  46           2HB      ARG  46  -3.251  -5.694  12.482
  325    HG2  ARG  46           1HG      ARG  46  -4.548  -7.447  13.221
  326    HG3  ARG  46           2HG      ARG  46  -5.631  -6.052  13.097
  327    HD2  ARG  46           1HD      ARG  46  -6.630  -6.980  11.060
  328    HD3  ARG  46           2HD      ARG  46  -5.447  -8.311  11.063
  329    HE   ARG  46           HE       ARG  46  -6.898  -8.208  13.542
  330   HH11  ARG  46          1HH1      ARG  46  -7.346  -9.281  10.194
  331   HH12  ARG  46          2HH1      ARG  46  -8.581 -10.421  10.637
  332   HH21  ARG  46          1HH2      ARG  46  -8.482  -9.708  14.034
  333   HH22  ARG  46          2HH2      ARG  46  -9.206 -10.663  12.776
  334    H    THR  47           H        THR  47  -2.907  -5.203   9.137
  335    HA   THR  47           HA       THR  47  -0.740  -3.369   9.928
  336    HB   THR  47           HB       THR  47  -0.946  -5.528   7.788
  337    HG1  THR  47           1HG      THR  47   0.414  -6.562   9.336
  338   HG21  THR  47          3HG2      THR  47   1.557  -5.334   7.758
  339   HG22  THR  47          1HG2      THR  47   0.718  -3.957   7.032
  340   HG23  THR  47          2HG2      THR  47   1.397  -3.801   8.666
  341    H    SER  48           H        SER  48  -2.721  -3.853   6.923
  342    HA   SER  48           HA       SER  48  -1.363  -1.841   5.454
  343    HB2  SER  48           1HB      SER  48  -3.244  -1.933   3.915
  344    HB3  SER  48           2HB      SER  48  -2.733  -3.555   4.408
  345    HG   SER  48           HG       SER  48  -5.034  -3.310   4.451
  346    H    ARG  49           H        ARG  49  -4.073  -1.498   7.717
  347    HA   ARG  49           HA       ARG  49  -4.724   1.178   7.036
  348    HB2  ARG  49           1HB      ARG  49  -6.006   1.275   8.974
  349    HB3  ARG  49           2HB      ARG  49  -6.073  -0.382   8.420
  350    HG2  ARG  49           1HG      ARG  49  -5.833  -0.656  10.695
  351    HG3  ARG  49           2HG      ARG  49  -4.204  -0.891  10.102
  352    HD2  ARG  49           1HD      ARG  49  -4.417   0.426  12.252
  353    HD3  ARG  49           2HD      ARG  49  -3.475   1.189  10.997
  354    HE   ARG  49           HE       ARG  49  -6.323   1.960  11.203
  355   HH11  ARG  49          1HH1      ARG  49  -2.992   2.907  12.066
  356   HH12  ARG  49          2HH1      ARG  49  -3.388   4.616  11.911
  357   HH21  ARG  49          1HH2      ARG  49  -6.721   4.192  11.204
  358   HH22  ARG  49          2HH2      ARG  49  -5.421   5.291  11.584
  359    H    GLU  50           H        GLU  50  -1.975  -0.080   8.879
  360    HA   GLU  50           HA       GLU  50  -1.351   2.458  10.189
  361    HB2  GLU  50           1HB      GLU  50   0.455   0.079   9.582
  362    HB3  GLU  50           2HB      GLU  50   0.838   1.400  10.669
  363    HG2  GLU  50           1HG      GLU  50  -1.547  -0.447  11.130
  364    HG3  GLU  50           2HG      GLU  50   0.071  -0.797  11.709
  365    H    LEU  51           H        LEU  51  -0.530   0.879   7.172
  366    HA   LEU  51           HA       LEU  51   1.536   2.715   6.301
  367    HB2  LEU  51           1HB      LEU  51  -0.119   0.792   4.625
  368    HB3  LEU  51           2HB      LEU  51   1.512   1.372   4.311
  369    HG   LEU  51           HG       LEU  51   0.676  -0.563   6.519
  370   HD11  LEU  51          1HD1      LEU  51   0.563  -1.514   4.265
  371   HD12  LEU  51          2HD1      LEU  51   2.259  -1.057   3.980
  372   HD13  LEU  51          3HD1      LEU  51   1.844  -2.250   5.238
  373   HD21  LEU  51          3HD2      LEU  51   3.138  -0.869   6.851
  374   HD22  LEU  51          1HD2      LEU  51   3.405   0.515   5.764
  375   HD23  LEU  51          2HD2      LEU  51   2.572   0.742   7.313
  376    H    GLU  52           H        GLU  52  -1.894   2.207   5.499
  377    HA   GLU  52           HA       GLU  52  -2.259   4.348   3.709
  378    HB2  GLU  52           1HB      GLU  52  -3.787   2.355   4.200
  379    HB3  GLU  52           2HB      GLU  52  -4.285   3.192   5.662
  380    HG2  GLU  52           1HG      GLU  52  -5.958   3.569   4.024
  381    HG3  GLU  52           2HG      GLU  52  -5.126   5.092   4.242
  382    H    ASP  53           H        ASP  53  -2.219   4.379   7.266
  383    HA   ASP  53           HA       ASP  53  -3.468   7.003   7.522
  384    HB2  ASP  53           1HB      ASP  53  -3.500   5.023   9.131
  385    HB3  ASP  53           2HB      ASP  53  -1.856   5.430   9.572
  386    H    ALA  54           H        ALA  54  -0.238   5.700   7.461
  387    HA   ALA  54           HA       ALA  54   1.232   7.801   8.610
  388    HB1  ALA  54           1HB      ALA  54   2.120   5.609   8.332
  389    HB2  ALA  54           2HB      ALA  54   1.981   5.691   6.561
  390    HB3  ALA  54           3HB      ALA  54   3.167   6.712   7.408
  391    H    PHE  55           H        PHE  55   0.717   7.368   5.040
  392    HA   PHE  55           HA       PHE  55   2.013   9.882   4.431
  393    HB2  PHE  55           1HB      PHE  55   1.422   9.535   2.219
  394    HB3  PHE  55           2HB      PHE  55   1.700   7.935   2.858
  395    HD1  PHE  55           1HD      PHE  55  -0.887  10.337   1.751
  396    HD2  PHE  55           2HD      PHE  55  -0.093   6.264   2.923
  397    HE1  PHE  55           1HE      PHE  55  -3.073   9.638   0.793
  398    HE2  PHE  55           2HE      PHE  55  -2.252   5.570   1.922
  399    HZ   PHE  55           HZ       PHE  55  -3.753   7.243   0.876
  400    H    SER  56           H        SER  56  -1.118   9.073   5.534
  401    HA   SER  56           HA       SER  56  -2.434  11.594   4.774
  402    HB2  SER  56           1HB      SER  56  -3.490   9.248   5.091
  403    HB3  SER  56           2HB      SER  56  -3.422   9.597   6.817
  404    HG   SER  56           HG       SER  56  -5.433  10.242   5.856
  405    H    LYS  57           H        LYS  57  -0.703  10.332   7.612
  406    HA   LYS  57           HA       LYS  57  -1.314  12.580   9.379
  407    HB2  LYS  57           1HB      LYS  57   0.726  10.331   9.367
  408    HB3  LYS  57           2HB      LYS  57   0.702  11.571  10.620
  409    HG2  LYS  57           1HG      LYS  57  -1.291  10.837  11.562
  410    HG3  LYS  57           2HG      LYS  57  -1.857  10.067  10.078
  411    HD2  LYS  57           1HD      LYS  57  -1.194   8.374  11.758
  412    HD3  LYS  57           2HD      LYS  57  -0.262   8.282  10.278
  413    HE2  LYS  57           1HE      LYS  57   1.466   8.071  11.737
  414    HE3  LYS  57           2HE      LYS  57   1.477   9.815  11.569
  415    HZ1  LYS  57           3HZ      LYS  57   1.530   9.206  13.914
  416    HZ2  LYS  57           1HZ      LYS  57   0.124   9.976  13.603
  417    HZ3  LYS  57           2HZ      LYS  57   0.143   8.351  13.785
  418    H    GLY  58           H        GLY  58   1.432  11.694   7.257
  419    HA2  GLY  58           1HA      GLY  58   2.394  13.642   5.993
  420    HA3  GLY  58           2HA      GLY  58   2.566  14.462   7.557
  421    H    LYS  59           H        LYS  59   3.275  11.311   8.315
  422    HA   LYS  59           HA       LYS  59   6.142  11.717   8.169
  423    HB2  LYS  59           1HB      LYS  59   6.227   9.319   8.975
  424    HB3  LYS  59           2HB      LYS  59   5.417  10.459  10.035
  425    HG2  LYS  59           1HG      LYS  59   3.243   9.655   9.466
  426    HG3  LYS  59           2HG      LYS  59   3.877   8.782   8.063
  427    HD2  LYS  59           1HD      LYS  59   3.291   7.267   9.920
  428    HD3  LYS  59           2HD      LYS  59   4.975   7.174   9.459
  429    HE2  LYS  59           1HE      LYS  59   5.597   8.632  11.392
  430    HE3  LYS  59           2HE      LYS  59   3.901   8.670  11.886
  431    HZ1  LYS  59           3HZ      LYS  59   5.100   6.963  13.099
  432    HZ2  LYS  59           1HZ      LYS  59   4.034   6.207  12.111
  433    HZ3  LYS  59           2HZ      LYS  59   5.618   6.251  11.727
  434    H    LYS  60           H        LYS  60   7.656  10.515   7.024
  435    HA   LYS  60           HA       LYS  60   6.780   9.715   4.289
  436    HB2  LYS  60           1HB      LYS  60   8.902  10.299   3.525
  437    HB3  LYS  60           2HB      LYS  60   8.435  11.568   4.652
  438    HG2  LYS  60           1HG      LYS  60   9.905  10.474   6.385
  439    HG3  LYS  60           2HG      LYS  60  10.427   9.318   5.139
  440    HD2  LYS  60           1HD      LYS  60  11.264  11.189   3.748
  441    HD3  LYS  60           2HD      LYS  60  10.754  12.345   4.998
  442    HE2  LYS  60           1HE      LYS  60  12.268  11.237   6.636
  443    HE3  LYS  60           2HE      LYS  60  12.781  10.091   5.387
  444    HZ1  LYS  60           3HZ      LYS  60  14.350  11.924   5.608
  445    HZ2  LYS  60           1HZ      LYS  60  13.671  11.975   4.124
  446    HZ3  LYS  60           2HZ      LYS  60  13.195  13.031   5.280
  447    H    ASN  61           H        ASN  61   7.336   8.125   7.096
  448    HA   ASN  61           HA       ASN  61   7.432   5.579   5.879
  449    HB2  ASN  61           1HB      ASN  61   9.552   4.701   6.736
  450    HB3  ASN  61           2HB      ASN  61   9.870   6.034   5.637
  451   HD21  ASN  61          2HD2      ASN  61  10.289   8.154   6.611
  452   HD22  ASN  61          1HD2      ASN  61  11.104   8.253   8.163
  453    H    THR  62           H        THR  62   7.126   3.894   7.382
  454    HA   THR  62           HA       THR  62   6.531   4.567  10.206
  455    HB   THR  62           HB       THR  62   4.520   5.123   8.816
  456    HG1  THR  62           1HG      THR  62   3.207   4.031  10.416
  457   HG21  THR  62          3HG2      THR  62   3.004   3.271   8.241
  458   HG22  THR  62          1HG2      THR  62   4.481   3.205   7.272
  459   HG23  THR  62          2HG2      THR  62   4.257   2.082   8.638
  460    H    GLU  63           H        GLU  63   5.477   2.389  11.206
  461    HA   GLU  63           HA       GLU  63   7.378   0.179  10.534
  462    HB2  GLU  63           1HB      GLU  63   6.754   1.516  13.193
  463    HB3  GLU  63           2HB      GLU  63   7.487  -0.088  13.073
  464    HG2  GLU  63           1HG      GLU  63   9.336   0.794  11.765
  465    HG3  GLU  63           2HG      GLU  63   8.662   2.418  11.800
  466    H    MET  64           H        MET  64   6.747  -1.872  10.911
  467    HA   MET  64           HA       MET  64   4.119  -2.549  12.041
  468    HB2  MET  64           1HB      MET  64   3.425  -3.708   9.937
  469    HB3  MET  64           2HB      MET  64   3.442  -1.948   9.789
  470    HG2  MET  64           1HG      MET  64   5.467  -1.963   8.525
  471    HG3  MET  64           2HG      MET  64   5.858  -3.595   9.022
  472    HE1  MET  64           3HE      MET  64   5.851  -4.614   5.602
  473    HE2  MET  64           1HE      MET  64   6.692  -3.579   6.771
  474    HE3  MET  64           2HE      MET  64   6.141  -5.199   7.252
  475    H    LEU  65           H        LEU  65   3.770  -4.792  12.267
  476    HA   LEU  65           HA       LEU  65   6.227  -6.447  12.401
  477    HB2  LEU  65           1HB      LEU  65   4.384  -5.758  14.400
  478    HB3  LEU  65           2HB      LEU  65   3.776  -7.303  13.868
  479    HG   LEU  65           HG       LEU  65   5.206  -7.537  15.772
  480   HD11  LEU  65          1HD1      LEU  65   5.268  -9.393  14.177
  481   HD12  LEU  65          2HD1      LEU  65   6.705  -8.682  13.411
  482   HD13  LEU  65          3HD1      LEU  65   6.779  -9.230  15.089
  483   HD21  LEU  65          3HD2      LEU  65   7.530  -6.886  15.846
  484   HD22  LEU  65          1HD2      LEU  65   7.493  -6.379  14.147
  485   HD23  LEU  65          2HD2      LEU  65   6.548  -5.486  15.353
  486    H    ILE  66           H        ILE  66   6.251  -8.396  11.556
  487    HA   ILE  66           HA       ILE  66   3.946  -9.330   9.837
  488    HB   ILE  66           HB       ILE  66   5.401 -10.081   8.177
  489   HG12  ILE  66          1HG1      ILE  66   7.889  -8.779   8.925
  490   HG13  ILE  66          2HG1      ILE  66   7.463  -9.908  10.185
  491   HG21  ILE  66          1HG2      ILE  66   4.513  -7.761   8.158
  492   HG22  ILE  66          2HG2      ILE  66   6.052  -7.187   8.824
  493   HG23  ILE  66          3HG2      ILE  66   6.001  -7.984   7.229
  494   HD11  ILE  66          3HD1      ILE  66   8.878 -10.815   8.252
  495   HD12  ILE  66          1HD1      ILE  66   7.495 -11.788   8.749
  496   HD13  ILE  66          2HD1      ILE  66   7.390 -10.788   7.292
  497    H    ALA  67           H        ALA  67   5.327 -11.784   9.095
  498    HA   ALA  67           HA       ALA  67   4.348 -13.583  11.000
  499    HB1  ALA  67           1HB      ALA  67   4.820 -13.991   8.563
  500    HB2  ALA  67           2HB      ALA  67   6.566 -13.962   8.930
  501    HB3  ALA  67           3HB      ALA  67   5.536 -15.233   9.614
  502    H    GLY  68           H        GLY  68   7.358 -11.866  11.207
  503    HA2  GLY  68           1HA      GLY  68   7.978 -12.904  13.789
  504    HA3  GLY  68           2HA      GLY  68   8.983 -13.728  12.616
  505    H    PHE  69           H        PHE  69   8.242 -10.366  11.907
  506    HA   PHE  69           HA       PHE  69  10.860  -9.398  12.874
  507    HB2  PHE  69           1HB      PHE  69  10.135  -9.613   9.918
  508    HB3  PHE  69           2HB      PHE  69  11.516  -8.751  10.551
  509    HD1  PHE  69           1HD      PHE  69  13.343 -10.022  11.784
  510    HD2  PHE  69           2HD      PHE  69  10.260 -12.014   9.508
  511    HE1  PHE  69           1HE      PHE  69  14.776 -12.043  11.595
  512    HE2  PHE  69           2HE      PHE  69  11.695 -14.021   9.327
  513    HZ   PHE  69           HZ       PHE  69  13.957 -14.041  10.361
  514    H    LEU  70           H        LEU  70  11.155  -7.161  12.719
  515    HA   LEU  70           HA       LEU  70   8.724  -5.489  12.291
  516    HB2  LEU  70           1HB      LEU  70  10.255  -5.317  14.386
  517    HB3  LEU  70           2HB      LEU  70  11.459  -4.652  13.299
  518    HG   LEU  70           HG       LEU  70  10.461  -2.876  14.485
  519   HD11  LEU  70          1HD1      LEU  70  10.824  -2.453  11.998
  520   HD12  LEU  70          2HD1      LEU  70   9.056  -2.608  11.823
  521   HD13  LEU  70          3HD1      LEU  70   9.733  -1.350  12.849
  522   HD21  LEU  70          3HD2      LEU  70   8.031  -2.349  14.415
  523   HD22  LEU  70          1HD2      LEU  70   7.739  -3.898  13.594
  524   HD23  LEU  70          2HD2      LEU  70   8.402  -3.877  15.238
  525    H    TYR  71           H        TYR  71   8.502  -4.485  10.433
  526    HA   TYR  71           HA       TYR  71  10.895  -3.888   8.741
  527    HB2  TYR  71           1HB      TYR  71   8.170  -4.686   7.845
  528    HB3  TYR  71           2HB      TYR  71   9.395  -4.021   6.762
  529    HD1  TYR  71           2HD      TYR  71  11.829  -5.628   7.866
  530    HD2  TYR  71           1HD      TYR  71   7.810  -6.762   6.779
  531    HE1  TYR  71           2HE      TYR  71  12.575  -7.951   7.460
  532    HE2  TYR  71           1HE      TYR  71   8.517  -9.062   6.501
  533    HH   TYR  71           HH       TYR  71  11.977 -10.066   6.890
  534    H    VAL  72           H        VAL  72  11.218  -1.934   8.134
  535    HA   VAL  72           HA       VAL  72   9.442   0.264   8.956
  536    HB   VAL  72           HB       VAL  72  12.166   0.343   7.624
  537   HG11  VAL  72          1HG1      VAL  72  10.875   2.424   7.224
  538   HG12  VAL  72          2HG1      VAL  72  10.537   2.553   8.964
  539   HG13  VAL  72          3HG1      VAL  72  12.198   2.718   8.359
  540   HG21  VAL  72          3HG2      VAL  72  13.022   0.997   9.854
  541   HG22  VAL  72          1HG2      VAL  72  11.418   0.691  10.553
  542   HG23  VAL  72          2HG2      VAL  72  12.366  -0.641   9.853
  543    H    ALA  73           H        ALA  73   7.817   0.636   7.625
  544    HA   ALA  73           HA       ALA  73   7.860   0.161   4.739
  545    HB1  ALA  73           1HB      ALA  73   5.884  -0.340   6.166
  546    HB2  ALA  73           2HB      ALA  73   5.750   1.376   6.563
  547    HB3  ALA  73           3HB      ALA  73   5.523   0.840   4.882
  548    H    ASP  74           H        ASP  74   9.192   1.534   3.710
  549    HA   ASP  74           HA       ASP  74   9.152   4.446   4.174
  550    HB2  ASP  74           1HB      ASP  74  11.284   3.316   3.791
  551    HB3  ASP  74           2HB      ASP  74  10.699   2.676   2.258
  552    H    LEU  75           H        LEU  75   7.619   5.639   3.300
  553    HA   LEU  75           HA       LEU  75   5.934   4.842   1.089
  554    HB2  LEU  75           1HB      LEU  75   6.343   7.361   2.754
  555    HB3  LEU  75           2HB      LEU  75   5.279   7.376   1.384
  556    HG   LEU  75           HG       LEU  75   4.855   5.235   3.494
  557   HD11  LEU  75          1HD1      LEU  75   4.934   7.279   4.823
  558   HD12  LEU  75          2HD1      LEU  75   3.895   8.128   3.657
  559   HD13  LEU  75          3HD1      LEU  75   3.247   6.784   4.619
  560   HD21  LEU  75          3HD2      LEU  75   2.532   5.503   2.688
  561   HD22  LEU  75          1HD2      LEU  75   3.078   6.737   1.533
  562   HD23  LEU  75          2HD2      LEU  75   3.675   5.077   1.384
  563    H    GLU  76           H        GLU  76   8.865   6.798   1.350
  564    HA   GLU  76           HA       GLU  76   8.579   8.367  -0.973
  565    HB2  GLU  76           1HB      GLU  76  11.094   7.363   0.421
  566    HB3  GLU  76           2HB      GLU  76  11.069   8.617  -0.801
  567    HG2  GLU  76           1HG      GLU  76   9.580   8.767   1.860
  568    HG3  GLU  76           2HG      GLU  76  11.176   9.435   1.596
  569    H    ASN  77           H        ASN  77  10.409   5.307  -0.597
  570    HA   ASN  77           HA       ASN  77  10.685   5.031  -3.550
  571    HB2  ASN  77           1HB      ASN  77  11.956   3.464  -1.274
  572    HB3  ASN  77           2HB      ASN  77  12.348   3.322  -2.981
  573   HD21  ASN  77          2HD2      ASN  77  12.604   5.402  -0.113
  574   HD22  ASN  77          1HD2      ASN  77  13.910   6.401  -0.762
  575    H    MET  78           H        MET  78   8.551   4.103  -1.181
  576    HA   MET  78           HA       MET  78   6.979   2.482  -0.827
  577    HB2  MET  78           1HB      MET  78   7.240   1.915  -3.799
  578    HB3  MET  78           2HB      MET  78   5.956   1.360  -2.735
  579    HG2  MET  78           1HG      MET  78   6.277   4.287  -2.623
  580    HG3  MET  78           2HG      MET  78   5.986   3.690  -4.245
  581    HE1  MET  78           3HE      MET  78   3.077   3.296  -0.681
  582    HE2  MET  78           1HE      MET  78   4.610   2.403  -0.702
  583    HE3  MET  78           2HE      MET  78   4.613   4.185  -0.678
  584    H    VAL  79           H        VAL  79   8.876   1.563   0.435
  585    HA   VAL  79           HA       VAL  79   9.246  -1.282  -0.338
  586    HB   VAL  79           HB       VAL  79  11.660  -1.270   0.103
  587   HG11  VAL  79          1HG1      VAL  79  10.873  -1.197  -2.224
  588   HG12  VAL  79          2HG1      VAL  79  10.992   0.580  -2.198
  589   HG13  VAL  79          3HG1      VAL  79  12.441  -0.417  -2.003
  590   HG21  VAL  79          3HG2      VAL  79  12.947   0.852   0.072
  591   HG22  VAL  79          1HG2      VAL  79  11.427   1.762   0.117
  592   HG23  VAL  79          2HG2      VAL  79  11.893   0.727   1.481
  593    H    GLN  80           H        GLN  80  10.074  -2.677   1.265
  594    HA   GLN  80           HA       GLN  80   9.732  -1.855   4.109
  595    HB2  GLN  80           1HB      GLN  80   9.311  -4.506   2.632
  596    HB3  GLN  80           2HB      GLN  80   9.074  -4.273   4.363
  597    HG2  GLN  80           1HG      GLN  80   7.506  -2.814   2.197
  598    HG3  GLN  80           2HG      GLN  80   6.988  -4.297   2.985
  599   HE21  GLN  80          2HE2      GLN  80   5.060  -2.782   3.506
  600   HE22  GLN  80          1HE2      GLN  80   5.227  -1.896   5.009
  601    H    TYR  81           H        TYR  81  11.463  -2.160   5.429
  602    HA   TYR  81           HA       TYR  81  13.409  -4.303   4.906
  603    HB2  TYR  81           1HB      TYR  81  15.339  -2.720   5.124
  604    HB3  TYR  81           2HB      TYR  81  14.467  -2.654   3.626
  605    HD1  TYR  81           1HD      TYR  81  14.636  -0.848   6.950
  606    HD2  TYR  81           2HD      TYR  81  13.770  -0.625   2.730
  607    HE1  TYR  81           1HE      TYR  81  14.487   1.612   7.115
  608    HE2  TYR  81           2HE      TYR  81  13.666   1.835   2.869
  609    HH   TYR  81           HH       TYR  81  14.152   3.596   5.976
  610    H    ARG  82           H        ARG  82  14.956  -4.646   6.653
  611    HA   ARG  82           HA       ARG  82  13.762  -4.371   9.301
  612    HB2  ARG  82           1HB      ARG  82  16.459  -5.448   8.356
  613    HB3  ARG  82           2HB      ARG  82  15.892  -5.488  10.035
  614    HG2  ARG  82           1HG      ARG  82  13.878  -6.790   9.285
  615    HG3  ARG  82           2HG      ARG  82  14.576  -6.856   7.653
  616    HD2  ARG  82           1HD      ARG  82  16.542  -8.079   8.537
  617    HD3  ARG  82           2HD      ARG  82  15.886  -7.946  10.174
  618    HE   ARG  82           HE       ARG  82  14.379  -9.632   9.764
  619   HH11  ARG  82          1HH1      ARG  82  15.849  -8.878   6.586
  620   HH12  ARG  82          2HH1      ARG  82  15.068 -10.309   5.897
  621   HH21  ARG  82          1HH2      ARG  82  13.535 -11.441   8.659
  622   HH22  ARG  82          2HH2      ARG  82  13.920 -11.591   6.938
  623    H    ARG  83           H        ARG  83  14.347  -3.028  10.959
  624    HA   ARG  83           HA       ARG  83  15.097  -0.412  10.521
  625    HB2  ARG  83           1HB      ARG  83  15.359  -2.122  13.022
  626    HB3  ARG  83           2HB      ARG  83  15.694  -0.389  13.015
  627    HG2  ARG  83           1HG      ARG  83  13.425   0.147  12.365
  628    HG3  ARG  83           2HG      ARG  83  13.025  -1.564  12.153
  629    HD2  ARG  83           1HD      ARG  83  12.161  -0.697  14.309
  630    HD3  ARG  83           2HD      ARG  83  13.288  -2.025  14.506
  631    HE   ARG  83           HE       ARG  83  14.880  -0.624  15.464
  632   HH11  ARG  83          1HH1      ARG  83  12.021   1.347  14.653
  633   HH12  ARG  83          2HH1      ARG  83  12.691   2.739  15.452
  634   HH21  ARG  83          1HH2      ARG  83  15.611   1.197  16.508
  635   HH22  ARG  83          2HH2      ARG  83  14.651   2.645  16.519
  636    H    ASN  84           H        ASN  84  17.365  -3.009  11.429
  637    HA   ASN  84           HA       ASN  84  19.655  -1.143  11.460
  638    HB2  ASN  84           1HB      ASN  84  19.123  -2.826  13.279
  639    HB3  ASN  84           2HB      ASN  84  19.579  -4.093  12.140
  640   HD21  ASN  84          2HD2      ASN  84  21.707  -4.729  12.380
  641   HD22  ASN  84          1HD2      ASN  84  22.998  -3.692  12.967
  642    H    GLU  85           H        GLU  85  18.178  -2.731   8.962
  643    HA   GLU  85           HA       GLU  85  20.649  -3.148   7.414
  644    HB2  GLU  85           1HB      GLU  85  20.163  -5.243   8.744
  645    HB3  GLU  85           2HB      GLU  85  18.669  -5.418   7.825
  646    HG2  GLU  85           1HG      GLU  85  19.974  -5.606   5.739
  647    HG3  GLU  85           2HG      GLU  85  21.465  -5.266   6.619
  648    H    HIS  86           H        HIS  86  19.336  -1.101   6.812
  649    HA   HIS  86           HA       HIS  86  16.931  -1.250   5.364
  650    HB2  HIS  86           1HB      HIS  86  17.457   0.999   4.629
  651    HB3  HIS  86           2HB      HIS  86  17.816   0.785   6.340
  652    HD2  HIS  86           2HD      HIS  86  20.308   1.188   7.128
  653    HE1  HIS  86           1HE      HIS  86  22.067   1.942   3.326
  654    HE2  HIS  86           2HE      HIS  86  22.464   1.976   5.843
  655    H    GLY  87           H        GLY  87  20.089  -2.077   4.271
  656    HA2  GLY  87           1HA      GLY  87  19.706  -1.851   1.416
  657    HA3  GLY  87           2HA      GLY  87  20.965  -2.798   2.245
  658    H    ARG  88           H        ARG  88  18.423  -4.174   3.630
  659    HA   ARG  88           HA       ARG  88  18.213  -6.333   1.664
  660    HB2  ARG  88           1HB      ARG  88  18.243  -6.198   4.458
  661    HB3  ARG  88           2HB      ARG  88  16.570  -6.564   4.126
  662    HG2  ARG  88           1HG      ARG  88  19.031  -8.116   3.225
  663    HG3  ARG  88           2HG      ARG  88  17.880  -8.594   4.474
  664    HD2  ARG  88           1HD      ARG  88  16.088  -8.792   2.777
  665    HD3  ARG  88           2HD      ARG  88  17.222  -8.332   1.505
  666    HE   ARG  88           HE       ARG  88  16.859 -10.938   2.628
  667   HH11  ARG  88          1HH1      ARG  88  19.549  -8.989   1.338
  668   HH12  ARG  88          2HH1      ARG  88  20.353 -10.418   0.758
  669   HH21  ARG  88          1HH2      ARG  88  17.830 -12.565   1.873
  670   HH22  ARG  88          2HH2      ARG  88  19.394 -12.486   1.068
  671    H    ARG  89           H        ARG  89  16.777  -3.592   1.347
  672    HA   ARG  89           HA       ARG  89  14.100  -3.801   1.873
  673    HB2  ARG  89           1HB      ARG  89  13.773  -1.854   0.464
  674    HB3  ARG  89           2HB      ARG  89  15.200  -1.723   1.484
  675    HG2  ARG  89           1HG      ARG  89  16.663  -2.236  -0.412
  676    HG3  ARG  89           2HG      ARG  89  15.236  -2.384  -1.475
  677    HD2  ARG  89           1HD      ARG  89  14.663  -0.030  -1.006
  678    HD3  ARG  89           2HD      ARG  89  16.085   0.113   0.051
  679    HE   ARG  89           HE       ARG  89  16.973  -0.808  -2.467
  680   HH11  ARG  89          1HH1      ARG  89  15.568   2.167  -1.157
  681   HH12  ARG  89          2HH1      ARG  89  16.270   3.153  -2.406
  682   HH21  ARG  89          1HH2      ARG  89  17.863   0.528  -4.032
  683   HH22  ARG  89          2HH2      ARG  89  17.561   2.238  -3.998
  684    H    ARG  90           H        ARG  90  12.216  -4.103   0.899
  685    HA   ARG  90           HA       ARG  90  12.049  -5.609  -1.684
  686    HB2  ARG  90           1HB      ARG  90  10.632  -6.256   0.947
  687    HB3  ARG  90           2HB      ARG  90  10.379  -7.095  -0.581
  688    HG2  ARG  90           1HG      ARG  90  12.978  -7.064   1.013
  689    HG3  ARG  90           2HG      ARG  90  11.804  -8.372   0.982
  690    HD2  ARG  90           1HD      ARG  90  12.201  -8.806  -1.360
  691    HD3  ARG  90           2HD      ARG  90  13.215  -7.379  -1.526
  692    HE   ARG  90           HE       ARG  90  13.937  -9.823   0.075
  693   HH11  ARG  90          1HH1      ARG  90  15.166  -6.916  -1.568
  694   HH12  ARG  90          2HH1      ARG  90  16.718  -7.664  -1.833
  695   HH21  ARG  90          1HH2      ARG  90  15.820 -10.587  -0.125
  696   HH22  ARG  90          2HH2      ARG  90  17.132  -9.776  -0.989
  697    H    LYS  91           H        LYS  91  10.323  -5.138  -2.955
  698    HA   LYS  91           HA       LYS  91   9.167  -2.543  -2.686
  699    HB2  LYS  91           1HB      LYS  91   9.101  -4.842  -4.605
  700    HB3  LYS  91           2HB      LYS  91   7.821  -3.665  -4.776
  701    HG2  LYS  91           1HG      LYS  91  10.729  -2.793  -4.639
  702    HG3  LYS  91           2HG      LYS  91  10.034  -3.397  -6.135
  703    HD2  LYS  91           1HD      LYS  91   9.034  -0.981  -4.572
  704    HD3  LYS  91           2HD      LYS  91   9.985  -0.943  -6.051
  705    HE2  LYS  91           1HE      LYS  91   7.107  -1.846  -5.700
  706    HE3  LYS  91           2HE      LYS  91   7.704  -0.460  -6.604
  707    HZ1  LYS  91           3HZ      LYS  91   7.182  -2.218  -8.132
  708    HZ2  LYS  91           1HZ      LYS  91   8.809  -2.074  -8.125
  709    HZ3  LYS  91           2HZ      LYS  91   8.085  -3.324  -7.336
  710    H    ILE  92           H        ILE  92   7.166  -1.755  -2.497
  711    HA   ILE  92           HA       ILE  92   4.821  -3.517  -2.065
  712    HB   ILE  92           HB       ILE  92   3.982  -1.960  -0.283
  713   HG12  ILE  92          1HG1      ILE  92   6.871  -1.054  -0.161
  714   HG13  ILE  92          2HG1      ILE  92   5.510  -0.103  -0.780
  715   HG21  ILE  92          1HG2      ILE  92   4.810  -4.177   0.220
  716   HG22  ILE  92          2HG2      ILE  92   6.464  -3.574   0.385
  717   HG23  ILE  92          3HG2      ILE  92   5.183  -3.063   1.518
  718   HD11  ILE  92          3HD1      ILE  92   5.835   0.722   1.376
  719   HD12  ILE  92          1HD1      ILE  92   4.517  -0.456   1.624
  720   HD13  ILE  92          2HD1      ILE  92   6.195  -0.870   2.047
  721    H    LYS  93           H        LYS  93   2.760  -2.224  -2.156
  722    HA   LYS  93           HA       LYS  93   2.804   0.324  -3.565
  723    HB2  LYS  93           1HB      LYS  93   1.628  -0.332  -5.543
  724    HB3  LYS  93           2HB      LYS  93   3.074  -1.326  -5.451
  725    HG2  LYS  93           1HG      LYS  93   1.789  -3.250  -4.711
  726    HG3  LYS  93           2HG      LYS  93   0.327  -2.282  -4.501
  727    HD2  LYS  93           1HD      LYS  93   0.206  -1.825  -6.893
  728    HD3  LYS  93           2HD      LYS  93   1.660  -2.811  -7.178
  729    HE2  LYS  93           1HE      LYS  93   0.566  -4.819  -6.468
  730    HE3  LYS  93           2HE      LYS  93  -0.766  -3.929  -5.716
  731    HZ1  LYS  93           3HZ      LYS  93  -1.356  -4.927  -7.878
  732    HZ2  LYS  93           1HZ      LYS  93  -1.599  -3.316  -7.840
  733    HZ3  LYS  93           2HZ      LYS  93  -0.296  -3.939  -8.639
  734    H    ARG  94           H        ARG  94   0.626   1.167  -3.971
  735    HA   ARG  94           HA       ARG  94  -1.489   0.196  -2.085
  736    HB2  ARG  94           1HB      ARG  94  -1.034   2.910  -3.401
  737    HB3  ARG  94           2HB      ARG  94  -2.548   2.431  -2.620
  738    HG2  ARG  94           1HG      ARG  94  -1.344   2.013  -0.506
  739    HG3  ARG  94           2HG      ARG  94   0.169   2.553  -1.251
  740    HD2  ARG  94           1HD      ARG  94  -0.708   4.376   0.039
  741    HD3  ARG  94           2HD      ARG  94  -0.875   4.800  -1.656
  742    HE   ARG  94           HE       ARG  94  -3.048   4.013   0.262
  743   HH11  ARG  94          1HH1      ARG  94  -2.314   5.267  -2.987
  744   HH12  ARG  94          2HH1      ARG  94  -3.955   5.783  -3.229
  745   HH21  ARG  94          1HH2      ARG  94  -5.040   4.822  -0.059
  746   HH22  ARG  94          2HH2      ARG  94  -5.500   5.492  -1.610
  747    H    ASP  95           H        ASP  95  -3.570  -0.127  -2.910
  748    HA   ASP  95           HA       ASP  95  -4.182   0.321  -5.734
  749    HB2  ASP  95           1HB      ASP  95  -3.143  -2.204  -5.069
  750    HB3  ASP  95           2HB      ASP  95  -4.895  -2.441  -5.010
  751    H    ILE  96           H        ILE  96  -6.478  -0.726  -6.145
  752    HA   ILE  96           HA       ILE  96  -8.305   0.011  -3.878
  753    HB   ILE  96           HB       ILE  96  -8.576   0.760  -6.801
  754   HG12  ILE  96          1HG1      ILE  96  -6.842   2.129  -5.674
  755   HG13  ILE  96          2HG1      ILE  96  -8.228   3.066  -6.192
  756   HG21  ILE  96          1HG2      ILE  96 -10.797   0.463  -5.894
  757   HG22  ILE  96          2HG2      ILE  96 -10.381   1.296  -4.378
  758   HG23  ILE  96          3HG2      ILE  96 -10.519   2.200  -5.899
  759   HD11  ILE  96          3HD1      ILE  96  -7.322   3.615  -3.876
  760   HD12  ILE  96          1HD1      ILE  96  -9.065   3.277  -3.964
  761   HD13  ILE  96          2HD1      ILE  96  -7.964   2.037  -3.352
  762    H    ILE  97           H        ILE  97 -10.049  -1.187  -3.623
  763    HA   ILE  97           HA       ILE  97 -10.492  -3.578  -5.354
  764    HB   ILE  97           HB       ILE  97 -11.787  -2.899  -2.715
  765   HG12  ILE  97          1HG1      ILE  97 -10.376  -5.039  -2.083
  766   HG13  ILE  97          2HG1      ILE  97  -9.305  -4.490  -3.360
  767   HG21  ILE  97          1HG2      ILE  97 -13.209  -4.283  -4.024
  768   HG22  ILE  97          2HG2      ILE  97 -11.867  -5.379  -4.447
  769   HG23  ILE  97          3HG2      ILE  97 -12.482  -5.287  -2.777
  770   HD11  ILE  97          3HD1      ILE  97  -8.981  -3.726  -0.848
  771   HD12  ILE  97          1HD1      ILE  97  -8.712  -2.540  -2.146
  772   HD13  ILE  97          2HD1      ILE  97 -10.220  -2.532  -1.197
  773    H    ASP  98           H        ASP  98 -12.289  -3.825  -6.547
  774    HA   ASP  98           HA       ASP  98 -14.177  -1.533  -6.775
  775    HB2  ASP  98           1HB      ASP  98 -12.800  -2.246  -8.735
  776    HB3  ASP  98           2HB      ASP  98 -13.624  -3.803  -8.717
  777    H    ILE  99           H        ILE  99 -14.134  -4.842  -5.864
  778    HA   ILE  99           HA       ILE  99 -15.563  -6.176  -4.767
  779    HB   ILE  99           HB       ILE  99 -17.661  -4.012  -4.904
  780   HG12  ILE  99          1HG1      ILE  99 -15.596  -3.242  -3.738
  781   HG13  ILE  99          2HG1      ILE  99 -17.014  -3.299  -2.716
  782   HG21  ILE  99          1HG2      ILE  99 -18.711  -6.124  -4.416
  783   HG22  ILE  99          2HG2      ILE  99 -17.525  -6.476  -3.142
  784   HG23  ILE  99          3HG2      ILE  99 -18.672  -5.135  -2.959
  785   HD11  ILE  99          3HD1      ILE  99 -14.870  -4.098  -1.655
  786   HD12  ILE  99          1HD1      ILE  99 -16.213  -5.254  -1.555
  787   HD13  ILE  99          2HD1      ILE  99 -14.911  -5.504  -2.734
  788    HA   PRO 100           HA       PRO 100 -17.492  -8.062  -8.354
  789    HB2  PRO 100           1HB      PRO 100 -17.928 -10.570  -7.405
  790    HB3  PRO 100           2HB      PRO 100 -16.283  -9.939  -7.702
  791    HG2  PRO 100           1HG      PRO 100 -17.805 -10.033  -5.071
  792    HG3  PRO 100           2HG      PRO 100 -16.129 -10.581  -5.390
  793    HD2  PRO 100           1HD      PRO 100 -16.715  -8.104  -4.353
  794    HD3  PRO 100           2HD      PRO 100 -15.321  -8.374  -5.437
  795    H    LYS 101           H        LYS 101 -19.534  -9.154  -8.928
  796    HA   LYS 101           HA       LYS 101 -21.809  -7.806  -7.882
  797    HB2  LYS 101           1HB      LYS 101 -23.140  -9.240  -9.321
  798    HB3  LYS 101           2HB      LYS 101 -21.721  -8.608 -10.152
  799    HG2  LYS 101           1HG      LYS 101 -20.583 -10.806  -9.922
  800    HG3  LYS 101           2HG      LYS 101 -21.951 -11.429  -8.997
  801    HD2  LYS 101           1HD      LYS 101 -22.100 -12.238 -11.274
  802    HD3  LYS 101           2HD      LYS 101 -23.444 -11.165 -10.912
  803    HE2  LYS 101           1HE      LYS 101 -22.715 -10.678 -13.135
  804    HE3  LYS 101           2HE      LYS 101 -22.276  -9.306 -12.123
  805    HZ1  LYS 101           3HZ      LYS 101 -20.473  -9.957 -13.615
  806    HZ2  LYS 101           1HZ      LYS 101 -19.992 -10.172 -12.070
  807    HZ3  LYS 101           2HZ      LYS 101 -20.418 -11.461 -12.986
  808    H    LYS 102           H        LYS 102 -20.501 -10.955  -6.983
  809    HA   LYS 102           HA       LYS 102 -22.637 -11.841  -5.284
  810    HB2  LYS 102           1HB      LYS 102 -20.789 -13.199  -6.275
  811    HB3  LYS 102           2HB      LYS 102 -19.648 -12.444  -5.154
  812    HG2  LYS 102           1HG      LYS 102 -20.897 -13.394  -3.234
  813    HG3  LYS 102           2HG      LYS 102 -22.079 -14.110  -4.338
  814    HD2  LYS 102           1HD      LYS 102 -19.099 -14.774  -4.255
  815    HD3  LYS 102           2HD      LYS 102 -20.379 -15.715  -3.475
  816    HE2  LYS 102           1HE      LYS 102 -21.443 -16.103  -5.701
  817    HE3  LYS 102           2HE      LYS 102 -20.121 -15.220  -6.478
  818    HZ1  LYS 102           3HZ      LYS 102 -19.734 -17.606  -6.528
  819    HZ2  LYS 102           1HZ      LYS 102 -18.582 -16.895  -5.614
  820    HZ3  LYS 102           2HZ      LYS 102 -19.806 -17.714  -4.902
  821    H    GLY 103           H        GLY 103 -20.181  -9.421  -4.761
  822    HA2  GLY 103           1HA      GLY 103 -20.469  -9.314  -1.830
  823    HA3  GLY 103           2HA      GLY 103 -19.447  -8.294  -2.875
  824    H    VAL 104           H        VAL 104 -22.257  -8.001  -4.394
  825    HA   VAL 104           HA       VAL 104 -22.836  -5.390  -3.205
  826    HB   VAL 104           HB       VAL 104 -24.251  -6.845  -5.476
  827   HG11  VAL 104          1HG1      VAL 104 -25.757  -5.170  -4.470
  828   HG12  VAL 104          2HG1      VAL 104 -24.469  -3.947  -4.533
  829   HG13  VAL 104          3HG1      VAL 104 -25.170  -4.595  -6.032
  830   HG21  VAL 104          3HG2      VAL 104 -23.019  -5.261  -6.931
  831   HG22  VAL 104          1HG2      VAL 104 -22.172  -4.608  -5.512
  832   HG23  VAL 104          2HG2      VAL 104 -21.902  -6.283  -6.027
  833    H    SER 105           H        SER 105 -24.021  -5.148  -1.483
  834    HA   SER 105           HA       SER 105 -26.656  -6.275  -1.014
  835    HB2  SER 105           1HB      SER 105 -24.256  -7.249   0.587
  836    HB3  SER 105           2HB      SER 105 -25.872  -7.175   1.295
  837    HG   SER 105           HG       SER 105 -25.283  -8.579  -1.115
  838    H    GLY 106           H        GLY 106 -27.672  -5.273   0.872
  839    HA2  GLY 106           1HA      GLY 106 -26.857  -2.529   1.269
  840    HA3  GLY 106           2HA      GLY 106 -28.215  -3.343   2.055
  841    HA   PRO 107           HA       PRO 107 -24.323  -3.366   4.897
  842    HB2  PRO 107           1HB      PRO 107 -23.685  -0.845   5.676
  843    HB3  PRO 107           2HB      PRO 107 -23.090  -1.541   4.139
  844    HG2  PRO 107           1HG      PRO 107 -25.499   0.268   4.544
  845    HG3  PRO 107           2HG      PRO 107 -24.164   0.455   3.361
  846    HD2  PRO 107           1HD      PRO 107 -26.542  -0.726   2.704
  847    HD3  PRO 107           2HD      PRO 107 -24.988  -1.288   2.011
  848    H    SER 108           H        SER 108 -24.384  -3.219   7.216
  849    HA   SER 108           HA       SER 108 -27.030  -3.155   8.346
  850    HB2  SER 108           1HB      SER 108 -24.342  -3.350   9.749
  851    HB3  SER 108           2HB      SER 108 -25.919  -3.818  10.406
  852    HG   SER 108           HG       SER 108 -24.743  -5.632   9.594
  853    H    SER 109           H        SER 109 -25.062  -0.524   7.728
  854    HA   SER 109           HA       SER 109 -26.559   1.313   9.378
  855    HB2  SER 109           1HB      SER 109 -24.887   0.355  11.033
  856    HB3  SER 109           2HB      SER 109 -23.601   1.047  10.033
  857    HG   SER 109           HG       SER 109 -24.260   2.435  11.781
  858    H    GLY 110           H        GLY 110 -25.839   3.579   9.000
  859    HA2  GLY 110           1HA      GLY 110 -23.985   4.373   6.982
  860    HA3  GLY 110           2HA      GLY 110 -25.572   4.180   6.234
  861   H5'1  ATP 201          H5"       ATP 111  12.204 -14.382   6.284
  862   H5'2  ATP 201          H5'       ATP 111  11.947 -12.705   6.766
  863    H4'  ATP 201           H4'      ATP 111   9.975 -14.284   6.987
  864    H3'  ATP 201           H3'      ATP 111  10.450 -15.068   4.378
  865   HO3'  ATP 201          H3T       ATP 111   8.075 -15.603   4.491
  866    H2'  ATP 201           H2'      ATP 111   9.964 -12.936   3.434
  867   HO2'  ATP 201          2HO       ATP 111   8.514 -14.384   2.370
  868    H1'  ATP 201           H1'      ATP 111   7.596 -12.739   5.307
  869    H8   ATP 201           8H       ATP 111  10.544 -10.481   4.019
  870   HN61  ATP 201          2H6       ATP 111   7.570  -6.887   2.367
  871   HN62  ATP 201          1H6       ATP 111   5.836  -6.633   2.614
  872    H2   ATP 201           2H       ATP 111   4.237  -9.846   5.014
  Start of MODEL    9
    1    HA   PRO   1           HA       PRO   1 -33.625  21.207 -14.780
    2    HB2  PRO   1           1HB      PRO   1 -35.916  21.546 -16.712
    3    HB3  PRO   1           2HB      PRO   1 -35.725  22.162 -15.044
    4    HG2  PRO   1           1HG      PRO   1 -35.042  23.479 -17.550
    5    HG3  PRO   1           2HG      PRO   1 -34.777  24.120 -15.902
    6    HD2  PRO   1           1HD      PRO   1 -32.698  23.450 -17.586
    7    HD3  PRO   1           2HD      PRO   1 -32.606  23.351 -15.811
    8    H    SER   2           H        SER   2 -35.234  19.531 -14.096
    9    HA   SER   2           HA       SER   2 -35.877  17.294 -15.828
   10    HB2  SER   2           1HB      SER   2 -33.469  16.842 -15.423
   11    HB3  SER   2           2HB      SER   2 -33.763  16.885 -13.676
   12    HG   SER   2           HG       SER   2 -33.759  14.735 -14.652
   13    H    SER   3           H        SER   3 -37.281  15.772 -14.792
   14    HA   SER   3           HA       SER   3 -38.616  16.702 -12.311
   15    HB2  SER   3           1HB      SER   3 -40.286  14.972 -12.934
   16    HB3  SER   3           2HB      SER   3 -40.049  16.208 -14.178
   17    HG   SER   3           HG       SER   3 -40.100  14.065 -15.060
   18    H    GLY   4           H        GLY   4 -36.036  14.659 -13.055
   19    HA2  GLY   4           1HA      GLY   4 -36.602  12.473 -11.193
   20    HA3  GLY   4           2HA      GLY   4 -35.088  12.770 -12.068
   21    H    SER   5           H        SER   5 -35.575  12.006  -9.273
   22    HA   SER   5           HA       SER   5 -33.622  13.674  -7.965
   23    HB2  SER   5           1HB      SER   5 -35.741  15.059  -7.725
   24    HB3  SER   5           2HB      SER   5 -36.414  13.732  -6.765
   25    HG   SER   5           HG       SER   5 -35.396  15.393  -5.485
   26    H    SER   6           H        SER   6 -33.339  12.898  -5.626
   27    HA   SER   6           HA       SER   6 -34.253  10.320  -4.752
   28    HB2  SER   6           1HB      SER   6 -31.575  10.445  -6.181
   29    HB3  SER   6           2HB      SER   6 -31.889   9.262  -4.907
   30    HG   SER   6           HG       SER   6 -33.668   9.556  -7.091
   31    H    GLY   7           H        GLY   7 -33.435   9.760  -2.694
   32    HA2  GLY   7           1HA      GLY   7 -32.064  11.919  -1.165
   33    HA3  GLY   7           2HA      GLY   7 -32.926  10.520  -0.496
   34    H    PHE   8           H        PHE   8 -30.168  11.584  -0.026
   35    HA   PHE   8           HA       PHE   8 -28.584   9.114  -0.466
   36    HB2  PHE   8           1HB      PHE   8 -27.850  12.004  -1.096
   37    HB3  PHE   8           2HB      PHE   8 -26.716  10.684  -1.058
   38    HD1  PHE   8           1HD      PHE   8 -27.086   8.676  -2.665
   39    HD2  PHE   8           2HD      PHE   8 -29.080  12.476  -3.103
   40    HE1  PHE   8           1HE      PHE   8 -27.585   8.144  -5.039
   41    HE2  PHE   8           2HE      PHE   8 -29.570  11.944  -5.474
   42    HZ   PHE   8           HZ       PHE   8 -28.828   9.776  -6.447
   43    H    LEU   9           H        LEU   9 -26.705   8.969   0.875
   44    HA   LEU   9           HA       LEU   9 -26.418  10.626   3.267
   45    HB2  LEU   9           1HB      LEU   9 -28.318   9.091   3.802
   46    HB3  LEU   9           2HB      LEU   9 -27.308   7.710   3.385
   47    HG   LEU   9           HG       LEU   9 -25.811   8.219   5.306
   48   HD11  LEU   9          1HD1      LEU   9 -26.112  10.667   5.507
   49   HD12  LEU   9          2HD1      LEU   9 -27.824  10.436   5.928
   50   HD13  LEU   9          3HD1      LEU   9 -26.544   9.871   7.023
   51   HD21  LEU   9          3HD2      LEU   9 -27.392   7.561   7.072
   52   HD22  LEU   9          1HD2      LEU   9 -28.761   8.032   6.044
   53   HD23  LEU   9          2HD2      LEU   9 -27.715   6.676   5.571
   54    H    ASP  10           H        ASP  10 -24.431  10.290   4.312
   55    HA   ASP  10           HA       ASP  10 -22.489   8.320   3.317
   56    HB2  ASP  10           1HB      ASP  10 -22.559  10.347   1.741
   57    HB3  ASP  10           2HB      ASP  10 -21.977  11.294   3.113
   58    H    LYS  11           H        LYS  11 -20.310   8.817   4.391
   59    HA   LYS  11           HA       LYS  11 -20.671   9.449   7.283
   60    HB2  LYS  11           1HB      LYS  11 -19.604   6.970   5.882
   61    HB3  LYS  11           2HB      LYS  11 -19.034   7.370   7.478
   62    HG2  LYS  11           1HG      LYS  11 -21.871   7.652   7.634
   63    HG3  LYS  11           2HG      LYS  11 -21.583   6.198   6.667
   64    HD2  LYS  11           1HD      LYS  11 -20.060   5.372   8.518
   65    HD3  LYS  11           2HD      LYS  11 -20.508   6.821   9.456
   66    HE2  LYS  11           1HE      LYS  11 -22.930   6.122   9.252
   67    HE3  LYS  11           2HE      LYS  11 -22.407   4.657   8.417
   68    HZ1  LYS  11           3HZ      LYS  11 -22.722   4.130  10.687
   69    HZ2  LYS  11           1HZ      LYS  11 -21.097   4.119  10.467
   70    HZ3  LYS  11           2HZ      LYS  11 -21.808   5.384  11.225
   71    HA   PRO  12           HA       PRO  12 -17.061  11.836   7.170
   72    HB2  PRO  12           1HB      PRO  12 -15.986  11.577   9.673
   73    HB3  PRO  12           2HB      PRO  12 -17.562  12.343   9.353
   74    HG2  PRO  12           1HG      PRO  12 -16.991   9.488  10.208
   75    HG3  PRO  12           2HG      PRO  12 -18.179  10.628  10.922
   76    HD2  PRO  12           1HD      PRO  12 -18.874   8.727   9.074
   77    HD3  PRO  12           2HD      PRO  12 -19.691  10.298   9.130
   78    H    THR  13           H        THR  13 -14.677  11.904   7.754
   79    HA   THR  13           HA       THR  13 -13.026   9.563   7.432
   80    HB   THR  13           HB       THR  13 -14.077   9.675   5.175
   81    HG1  THR  13           1HG      THR  13 -12.217   9.179   4.284
   82   HG21  THR  13          3HG2      THR  13 -13.659  11.451   3.671
   83   HG22  THR  13          1HG2      THR  13 -14.242  12.233   5.134
   84   HG23  THR  13          2HG2      THR  13 -12.502  12.244   4.768
   85    H    LEU  14           H        LEU  14 -10.823  10.198   6.816
   86    HA   LEU  14           HA       LEU  14  -9.929  12.658   8.282
   87    HB2  LEU  14           1HB      LEU  14  -8.504  10.083   7.515
   88    HB3  LEU  14           2HB      LEU  14  -7.795  11.367   8.474
   89    HG   LEU  14           HG       LEU  14 -10.366  10.161   9.529
   90   HD11  LEU  14          1HD1      LEU  14  -9.153   8.224   8.710
   91   HD12  LEU  14          2HD1      LEU  14  -7.691   8.724   9.595
   92   HD13  LEU  14          3HD1      LEU  14  -9.163   8.256  10.488
   93   HD21  LEU  14          3HD2      LEU  14  -9.264  10.508  11.681
   94   HD22  LEU  14          1HD2      LEU  14  -7.759  10.994  10.871
   95   HD23  LEU  14          2HD2      LEU  14  -9.218  12.001  10.727
   96    H    LEU  15           H        LEU  15 -10.073  11.135   5.183
   97    HA   LEU  15           HA       LEU  15  -7.723  12.366   4.023
   98    HB2  LEU  15           1HB      LEU  15 -10.027  11.144   2.488
   99    HB3  LEU  15           2HB      LEU  15  -8.362  11.317   1.975
  100    HG   LEU  15           HG       LEU  15  -9.395   9.402   4.103
  101   HD11  LEU  15          1HD1      LEU  15  -9.896   8.778   1.758
  102   HD12  LEU  15          2HD1      LEU  15  -8.168   8.899   1.359
  103   HD13  LEU  15          3HD1      LEU  15  -8.736   7.666   2.504
  104   HD21  LEU  15          3HD2      LEU  15  -7.078   8.493   4.155
  105   HD22  LEU  15          1HD2      LEU  15  -6.534   9.847   3.138
  106   HD23  LEU  15          2HD2      LEU  15  -7.161  10.143   4.778
  107    H    SER  16           H        SER  16  -8.091  13.279   1.717
  108    HA   SER  16           HA       SER  16  -9.372  15.904   1.967
  109    HB2  SER  16           1HB      SER  16  -7.372  14.591   0.124
  110    HB3  SER  16           2HB      SER  16  -8.047  16.137  -0.234
  111    HG   SER  16           HG       SER  16  -6.050  16.315   0.941
  112    HA   PRO  17           HA       PRO  17 -12.777  15.081  -0.744
  113    HB2  PRO  17           1HB      PRO  17 -12.988  17.385  -2.213
  114    HB3  PRO  17           2HB      PRO  17 -13.396  17.278  -0.474
  115    HG2  PRO  17           1HG      PRO  17 -10.794  18.229  -1.718
  116    HG3  PRO  17           2HG      PRO  17 -11.767  19.028  -0.438
  117    HD2  PRO  17           1HD      PRO  17  -9.621  17.486   0.179
  118    HD3  PRO  17           2HD      PRO  17 -11.099  17.468   1.193
  119    H    GLU  18           H        GLU  18  -9.632  15.807  -2.115
  120    HA   GLU  18           HA       GLU  18 -10.317  14.968  -4.834
  121    HB2  GLU  18           1HB      GLU  18  -7.577  15.340  -3.566
  122    HB3  GLU  18           2HB      GLU  18  -7.963  15.260  -5.289
  123    HG2  GLU  18           1HG      GLU  18  -9.371  17.352  -4.985
  124    HG3  GLU  18           2HG      GLU  18  -8.754  17.461  -3.329
  125    H    GLU  19           H        GLU  19  -9.009  13.419  -1.929
  126    HA   GLU  19           HA       GLU  19  -7.870  11.067  -3.195
  127    HB2  GLU  19           1HB      GLU  19  -8.701  11.829  -0.370
  128    HB3  GLU  19           2HB      GLU  19  -8.174  10.209  -0.747
  129    HG2  GLU  19           1HG      GLU  19  -6.567  12.768  -1.133
  130    HG3  GLU  19           2HG      GLU  19  -6.394  11.611   0.188
  131    H    LEU  20           H        LEU  20 -10.820  11.724  -1.394
  132    HA   LEU  20           HA       LEU  20 -12.028   9.145  -1.490
  133    HB2  LEU  20           1HB      LEU  20 -13.336  11.891  -1.351
  134    HB3  LEU  20           2HB      LEU  20 -14.080  10.392  -0.824
  135    HG   LEU  20           HG       LEU  20 -11.458  11.252   0.459
  136   HD11  LEU  20          1HD1      LEU  20 -12.961  13.214   0.347
  137   HD12  LEU  20          2HD1      LEU  20 -14.163  12.318   1.297
  138   HD13  LEU  20          3HD1      LEU  20 -12.551  12.693   1.989
  139   HD21  LEU  20          3HD2      LEU  20 -12.304  10.056   2.365
  140   HD22  LEU  20          1HD2      LEU  20 -13.886   9.813   1.591
  141   HD23  LEU  20          2HD2      LEU  20 -12.436   9.009   0.946
  142    H    LYS  21           H        LYS  21 -12.639  12.049  -3.471
  143    HA   LYS  21           HA       LYS  21 -14.308  10.797  -5.442
  144    HB2  LYS  21           1HB      LYS  21 -12.604  13.280  -5.368
  145    HB3  LYS  21           2HB      LYS  21 -13.193  12.719  -6.920
  146    HG2  LYS  21           1HG      LYS  21 -14.651  14.424  -5.871
  147    HG3  LYS  21           2HG      LYS  21 -15.471  12.932  -6.326
  148    HD2  LYS  21           1HD      LYS  21 -15.605  12.199  -4.012
  149    HD3  LYS  21           2HD      LYS  21 -14.597  13.556  -3.479
  150    HE2  LYS  21           1HE      LYS  21 -16.320  15.153  -4.294
  151    HE3  LYS  21           2HE      LYS  21 -17.322  13.800  -4.832
  152    HZ1  LYS  21           3HZ      LYS  21 -18.021  14.609  -2.661
  153    HZ2  LYS  21           1HZ      LYS  21 -17.476  13.078  -2.511
  154    HZ3  LYS  21           2HZ      LYS  21 -16.547  14.332  -2.015
  155    H    ALA  22           H        ALA  22 -10.693  11.007  -5.388
  156    HA   ALA  22           HA       ALA  22 -10.370   9.721  -7.937
  157    HB1  ALA  22           1HB      ALA  22  -8.597  11.040  -6.886
  158    HB2  ALA  22           2HB      ALA  22  -8.480   9.879  -5.546
  159    HB3  ALA  22           3HB      ALA  22  -8.032   9.387  -7.192
  160    H    ALA  23           H        ALA  23 -10.467   8.321  -4.624
  161    HA   ALA  23           HA       ALA  23 -10.153   5.582  -5.410
  162    HB1  ALA  23           1HB      ALA  23  -9.890   6.453  -3.091
  163    HB2  ALA  23           2HB      ALA  23 -11.637   6.787  -3.023
  164    HB3  ALA  23           3HB      ALA  23 -11.053   5.117  -3.167
  165    H    SER  24           H        SER  24 -13.104   7.554  -4.935
  166    HA   SER  24           HA       SER  24 -15.008   5.511  -5.480
  167    HB2  SER  24           1HB      SER  24 -15.391   7.679  -4.328
  168    HB3  SER  24           2HB      SER  24 -15.290   8.503  -5.897
  169    HG   SER  24           HG       SER  24 -17.476   7.995  -5.257
  170    H    ARG  25           H        ARG  25 -13.423   7.800  -7.754
  171    HA   ARG  25           HA       ARG  25 -14.809   6.915 -10.097
  172    HB2  ARG  25           1HB      ARG  25 -12.234   8.416  -9.529
  173    HB3  ARG  25           2HB      ARG  25 -12.725   8.025 -11.158
  174    HG2  ARG  25           1HG      ARG  25 -14.466   9.617  -9.231
  175    HG3  ARG  25           2HG      ARG  25 -13.358  10.326 -10.408
  176    HD2  ARG  25           1HD      ARG  25 -14.613   9.228 -12.250
  177    HD3  ARG  25           2HD      ARG  25 -15.761   8.575 -11.061
  178    HE   ARG  25           HE       ARG  25 -15.568  11.387 -10.694
  179   HH11  ARG  25          1HH1      ARG  25 -16.903   9.129 -13.070
  180   HH12  ARG  25          2HH1      ARG  25 -18.128  10.252 -13.583
  181   HH21  ARG  25          1HH2      ARG  25 -17.170  12.787 -11.403
  182   HH22  ARG  25          2HH2      ARG  25 -18.273  12.293 -12.651
  183    H    GLY  26           H        GLY  26 -12.284   5.422  -8.249
  184    HA2  GLY  26           1HA      GLY  26 -11.455   3.533 -10.383
  185    HA3  GLY  26           2HA      GLY  26 -10.964   3.525  -8.668
  186    H    ASN  27           H        ASN  27 -13.032   3.327  -7.196
  187    HA   ASN  27           HA       ASN  27 -15.263   1.777  -8.128
  188    HB2  ASN  27           1HB      ASN  27 -13.468  -0.014  -8.084
  189    HB3  ASN  27           2HB      ASN  27 -13.304   0.271  -6.354
  190   HD21  ASN  27          2HD2      ASN  27 -15.378  -1.048  -8.907
  191   HD22  ASN  27          1HD2      ASN  27 -16.418  -1.937  -7.816
  192    H    GLY  28           H        GLY  28 -13.411   3.109  -5.441
  193    HA2  GLY  28           1HA      GLY  28 -14.368   4.201  -3.531
  194    HA3  GLY  28           2HA      GLY  28 -15.816   3.176  -3.649
  195    H    GLU  29           H        GLU  29 -12.510   1.942  -3.878
  196    HA   GLU  29           HA       GLU  29 -12.460   0.922  -1.116
  197    HB2  GLU  29           1HB      GLU  29 -13.223  -0.746  -3.313
  198    HB3  GLU  29           2HB      GLU  29 -11.557  -1.116  -2.963
  199    HG2  GLU  29           1HG      GLU  29 -12.982  -2.600  -1.671
  200    HG3  GLU  29           2HG      GLU  29 -12.084  -1.540  -0.594
  201    H    TYR  30           H        TYR  30 -10.212  -0.444  -1.003
  202    HA   TYR  30           HA       TYR  30  -8.027   0.434  -2.628
  203    HB2  TYR  30           1HB      TYR  30  -6.866   1.867  -1.092
  204    HB3  TYR  30           2HB      TYR  30  -8.429   2.568  -1.443
  205    HD1  TYR  30           1HD      TYR  30 -10.360   2.064   0.269
  206    HD2  TYR  30           2HD      TYR  30  -6.184   1.440   1.141
  207    HE1  TYR  30           1HE      TYR  30 -10.862   2.144   2.711
  208    HE2  TYR  30           2HE      TYR  30  -6.681   1.477   3.578
  209    HH   TYR  30           HH       TYR  30 -10.002   1.998   4.843
  210    H    ALA  31           H        ALA  31  -6.075  -0.552  -2.136
  211    HA   ALA  31           HA       ALA  31  -5.728  -2.165   0.305
  212    HB1  ALA  31           1HB      ALA  31  -6.854  -3.835  -0.907
  213    HB2  ALA  31           2HB      ALA  31  -6.148  -3.347  -2.464
  214    HB3  ALA  31           3HB      ALA  31  -5.164  -4.188  -1.241
  215    H    TRP  32           H        TRP  32  -3.672  -2.877   0.670
  216    HA   TRP  32           HA       TRP  32  -1.442  -1.684  -0.922
  217    HB2  TRP  32           1HB      TRP  32  -1.649  -2.671   1.950
  218    HB3  TRP  32           2HB      TRP  32  -0.123  -2.338   1.147
  219    HD1  TRP  32           HD       TRP  32  -3.318  -0.389   2.114
  220    HE1  TRP  32           1HE      TRP  32  -2.719   2.052   2.490
  221    HE3  TRP  32           3HE      TRP  32   1.668  -0.649   0.965
  222    HZ2  TRP  32           2HZ      TRP  32  -0.284   3.715   2.378
  223    HZ3  TRP  32           3HZ      TRP  32   3.070   1.406   1.047
  224    HH2  TRP  32           HH       TRP  32   2.093   3.547   1.740
  225    H    TYR  33           H        TYR  33   0.209  -2.981  -1.673
  226    HA   TYR  33           HA       TYR  33   0.102  -5.920  -1.233
  227    HB2  TYR  33           1HB      TYR  33   0.223  -4.536  -3.932
  228    HB3  TYR  33           2HB      TYR  33   0.631  -6.219  -3.685
  229    HD1  TYR  33           1HD      TYR  33  -2.178  -3.763  -3.500
  230    HD2  TYR  33           2HD      TYR  33  -1.018  -7.913  -3.709
  231    HE1  TYR  33           1HE      TYR  33  -4.542  -4.401  -3.899
  232    HE2  TYR  33           2HE      TYR  33  -3.393  -8.555  -4.091
  233    HH   TYR  33           HH       TYR  33  -6.010  -6.111  -4.351
  234    H    TYR  34           H        TYR  34   2.072  -7.004  -1.460
  235    HA   TYR  34           HA       TYR  34   4.528  -5.382  -1.985
  236    HB2  TYR  34           1HB      TYR  34   5.666  -6.393  -0.157
  237    HB3  TYR  34           2HB      TYR  34   4.175  -5.712   0.458
  238    HD1  TYR  34           1HD      TYR  34   2.257  -7.242   1.092
  239    HD2  TYR  34           2HD      TYR  34   6.152  -8.746   0.006
  240    HE1  TYR  34           1HE      TYR  34   1.686  -9.435   2.102
  241    HE2  TYR  34           2HE      TYR  34   5.587 -10.943   1.026
  242    HH   TYR  34           HH       TYR  34   2.399 -11.579   2.550
  243    H    GLU  35           H        GLU  35   6.293  -6.492  -2.943
  244    HA   GLU  35           HA       GLU  35   5.606  -8.939  -4.421
  245    HB2  GLU  35           1HB      GLU  35   8.226  -7.403  -4.225
  246    HB3  GLU  35           2HB      GLU  35   7.941  -8.839  -5.216
  247    HG2  GLU  35           1HG      GLU  35   5.988  -7.524  -6.284
  248    HG3  GLU  35           2HG      GLU  35   6.702  -6.096  -5.520
  249    H    GLY  36           H        GLY  36   5.480 -10.775  -3.364
  250    HA2  GLY  36           1HA      GLY  36   7.388 -11.568  -1.206
  251    HA3  GLY  36           2HA      GLY  36   5.938 -12.440  -1.730
  252    H    ARG  37           H        ARG  37   7.041 -14.405  -1.980
  253    HA   ARG  37           HA       ARG  37   9.398 -14.672  -3.636
  254    HB2  ARG  37           1HB      ARG  37   8.796 -16.157  -1.737
  255    HB3  ARG  37           2HB      ARG  37   7.448 -16.808  -2.681
  256    HG2  ARG  37           1HG      ARG  37   9.031 -17.693  -4.365
  257    HG3  ARG  37           2HG      ARG  37  10.378 -16.906  -3.534
  258    HD2  ARG  37           1HD      ARG  37  10.423 -19.235  -2.950
  259    HD3  ARG  37           2HD      ARG  37   9.954 -18.318  -1.527
  260    HE   ARG  37           HE       ARG  37   7.862 -19.313  -1.540
  261   HH11  ARG  37          1HH1      ARG  37   9.406 -20.126  -4.620
  262   HH12  ARG  37          2HH1      ARG  37   8.251 -21.377  -4.972
  263   HH21  ARG  37          1HH2      ARG  37   6.434 -20.963  -2.037
  264   HH22  ARG  37          2HH2      ARG  37   6.613 -21.861  -3.514
  265    H    ASN  38           H        ASN  38   5.943 -15.226  -4.219
  266    HA   ASN  38           HA       ASN  38   6.489 -16.084  -7.017
  267    HB2  ASN  38           1HB      ASN  38   4.099 -16.505  -5.204
  268    HB3  ASN  38           2HB      ASN  38   4.229 -17.119  -6.851
  269   HD21  ASN  38          2HD2      ASN  38   4.100 -18.454  -4.051
  270   HD22  ASN  38          1HD2      ASN  38   5.431 -19.595  -4.120
  271    H    GLY  39           H        GLY  39   5.292 -13.262  -5.499
  272    HA2  GLY  39           1HA      GLY  39   4.950 -11.644  -7.648
  273    HA3  GLY  39           2HA      GLY  39   3.409 -12.486  -7.627
  274    H    TRP  40           H        TRP  40   2.503 -10.326  -7.295
  275    HA   TRP  40           HA       TRP  40   2.875  -8.874  -4.836
  276    HB2  TRP  40           1HB      TRP  40   0.599  -8.842  -6.847
  277    HB3  TRP  40           2HB      TRP  40   0.857  -7.662  -5.573
  278    HD1  TRP  40           HD       TRP  40   1.787  -8.451  -9.079
  279    HE1  TRP  40           1HE      TRP  40   3.442  -6.746 -10.016
  280    HE3  TRP  40           3HE      TRP  40   3.021  -6.051  -4.722
  281    HZ2  TRP  40           2HZ      TRP  40   5.018  -4.527  -9.026
  282    HZ3  TRP  40           3HZ      TRP  40   4.619  -4.150  -4.760
  283    HH2  TRP  40           HH       TRP  40   5.598  -3.367  -6.894
  284    H    TRP  41           H        TRP  41   1.994  -9.211  -2.886
  285    HA   TRP  41           HA       TRP  41  -0.497 -10.844  -2.611
  286    HB2  TRP  41           1HB      TRP  41   1.981 -10.945  -0.852
  287    HB3  TRP  41           2HB      TRP  41   0.472 -11.815  -0.561
  288    HD1  TRP  41           HD       TRP  41   3.739 -12.436  -1.902
  289    HE1  TRP  41           1HE      TRP  41   3.822 -14.345  -3.618
  290    HE3  TRP  41           3HE      TRP  41  -1.277 -12.994  -2.741
  291    HZ2  TRP  41           2HZ      TRP  41   1.965 -15.724  -5.350
  292    HZ3  TRP  41           3HZ      TRP  41  -2.092 -14.556  -4.456
  293    HH2  TRP  41           HH       TRP  41  -0.488 -15.938  -5.782
  294    H    GLN  42           H        GLN  42  -1.964 -10.199  -1.088
  295    HA   GLN  42           HA       GLN  42  -1.894  -7.337  -0.526
  296    HB2  GLN  42           1HB      GLN  42  -3.861  -8.715  -1.463
  297    HB3  GLN  42           2HB      GLN  42  -4.086  -9.322   0.181
  298    HG2  GLN  42           1HG      GLN  42  -4.333  -6.915   0.948
  299    HG3  GLN  42           2HG      GLN  42  -4.214  -6.414  -0.741
  300   HE21  GLN  42          2HE2      GLN  42  -6.003  -7.191  -2.250
  301   HE22  GLN  42          1HE2      GLN  42  -7.560  -7.551  -1.523
  302    H    TYR  43           H        TYR  43  -1.916  -6.327   1.459
  303    HA   TYR  43           HA       TYR  43  -0.832  -7.704   3.781
  304    HB2  TYR  43           1HB      TYR  43  -1.787  -4.908   3.162
  305    HB3  TYR  43           2HB      TYR  43  -1.369  -5.365   4.806
  306    HD1  TYR  43           2HD      TYR  43   0.931  -5.951   5.451
  307    HD2  TYR  43           1HD      TYR  43  -0.050  -4.659   1.468
  308    HE1  TYR  43           2HE      TYR  43   3.327  -5.433   5.025
  309    HE2  TYR  43           1HE      TYR  43   2.325  -4.097   1.041
  310    HH   TYR  43           HH       TYR  43   4.419  -4.148   1.861
  311    H    ASP  44           H        ASP  44  -1.723  -7.575   5.917
  312    HA   ASP  44           HA       ASP  44  -4.505  -8.408   6.200
  313    HB2  ASP  44           1HB      ASP  44  -2.712  -9.359   7.563
  314    HB3  ASP  44           2HB      ASP  44  -2.311  -7.764   8.211
  315    H    GLU  45           H        GLU  45  -6.073  -7.294   7.593
  316    HA   GLU  45           HA       GLU  45  -6.398  -4.544   6.761
  317    HB2  GLU  45           1HB      GLU  45  -8.529  -4.736   8.079
  318    HB3  GLU  45           2HB      GLU  45  -8.330  -5.906   6.776
  319    HG2  GLU  45           1HG      GLU  45  -7.814  -7.692   8.330
  320    HG3  GLU  45           2HG      GLU  45  -7.688  -6.564   9.676
  321    H    ARG  46           H        ARG  46  -5.012  -6.002   9.615
  322    HA   ARG  46           HA       ARG  46  -5.240  -3.473  11.156
  323    HB2  ARG  46           1HB      ARG  46  -3.830  -5.987  12.045
  324    HB3  ARG  46           2HB      ARG  46  -4.471  -4.677  13.026
  325    HG2  ARG  46           1HG      ARG  46  -6.023  -6.875  11.623
  326    HG3  ARG  46           2HG      ARG  46  -5.937  -6.525  13.344
  327    HD2  ARG  46           1HD      ARG  46  -7.230  -4.415  12.967
  328    HD3  ARG  46           2HD      ARG  46  -7.252  -4.769  11.229
  329    HE   ARG  46           HE       ARG  46  -8.938  -6.239  11.462
  330   HH11  ARG  46          1HH1      ARG  46  -7.761  -5.760  14.778
  331   HH12  ARG  46          2HH1      ARG  46  -9.109  -6.639  15.436
  332   HH21  ARG  46          1HH2      ARG  46 -10.521  -7.282  12.295
  333   HH22  ARG  46          2HH2      ARG  46 -10.697  -7.525  14.025
  334    H    THR  47           H        THR  47  -3.059  -4.986   8.996
  335    HA   THR  47           HA       THR  47  -0.726  -3.418   9.949
  336    HB   THR  47           HB       THR  47  -0.920  -5.525   7.759
  337    HG1  THR  47           1HG      THR  47   0.302  -6.660   9.347
  338   HG21  THR  47          3HG2      THR  47   1.602  -5.392   7.900
  339   HG22  THR  47          1HG2      THR  47   0.847  -3.961   7.181
  340   HG23  THR  47          2HG2      THR  47   1.407  -3.898   8.859
  341    H    SER  48           H        SER  48  -2.611  -3.859   6.900
  342    HA   SER  48           HA       SER  48  -1.351  -1.774   5.453
  343    HB2  SER  48           1HB      SER  48  -3.356  -1.785   4.023
  344    HB3  SER  48           2HB      SER  48  -2.728  -3.401   4.332
  345    HG   SER  48           HG       SER  48  -4.415  -3.835   5.680
  346    H    ARG  49           H        ARG  49  -3.973  -1.535   7.827
  347    HA   ARG  49           HA       ARG  49  -4.710   1.138   7.232
  348    HB2  ARG  49           1HB      ARG  49  -5.944   1.142   9.203
  349    HB3  ARG  49           2HB      ARG  49  -5.974  -0.504   8.609
  350    HG2  ARG  49           1HG      ARG  49  -5.658  -0.817  10.875
  351    HG3  ARG  49           2HG      ARG  49  -4.046  -0.997  10.223
  352    HD2  ARG  49           1HD      ARG  49  -4.217   0.268  12.410
  353    HD3  ARG  49           2HD      ARG  49  -3.338   1.081  11.144
  354    HE   ARG  49           HE       ARG  49  -6.191   1.784  11.436
  355   HH11  ARG  49          1HH1      ARG  49  -2.867   2.764  12.278
  356   HH12  ARG  49          2HH1      ARG  49  -3.296   4.469  12.204
  357   HH21  ARG  49          1HH2      ARG  49  -6.636   4.005  11.529
  358   HH22  ARG  49          2HH2      ARG  49  -5.356   5.117  11.936
  359    H    GLU  50           H        GLU  50  -1.878  -0.093   8.945
  360    HA   GLU  50           HA       GLU  50  -1.262   2.425  10.299
  361    HB2  GLU  50           1HB      GLU  50   0.564   0.098   9.565
  362    HB3  GLU  50           2HB      GLU  50   0.972   1.406  10.660
  363    HG2  GLU  50           1HG      GLU  50  -1.358  -0.492  11.185
  364    HG3  GLU  50           2HG      GLU  50   0.290  -0.823  11.693
  365    H    LEU  51           H        LEU  51  -0.475   0.900   7.235
  366    HA   LEU  51           HA       LEU  51   1.480   2.814   6.304
  367    HB2  LEU  51           1HB      LEU  51  -0.207   0.907   4.644
  368    HB3  LEU  51           2HB      LEU  51   1.400   1.525   4.288
  369    HG   LEU  51           HG       LEU  51   0.689  -0.491   6.469
  370   HD11  LEU  51          1HD1      LEU  51   0.496  -1.352   4.179
  371   HD12  LEU  51          2HD1      LEU  51   2.179  -0.876   3.856
  372   HD13  LEU  51          3HD1      LEU  51   1.813  -2.115   5.084
  373   HD21  LEU  51          3HD2      LEU  51   3.179  -0.756   6.669
  374   HD22  LEU  51          1HD2      LEU  51   3.357   0.682   5.635
  375   HD23  LEU  51          2HD2      LEU  51   2.593   0.814   7.228
  376    H    GLU  52           H        GLU  52  -1.987   2.261   5.674
  377    HA   GLU  52           HA       GLU  52  -2.500   4.462   4.004
  378    HB2  GLU  52           1HB      GLU  52  -4.013   2.450   4.741
  379    HB3  GLU  52           2HB      GLU  52  -4.442   3.456   6.111
  380    HG2  GLU  52           1HG      GLU  52  -6.128   3.742   4.433
  381    HG3  GLU  52           2HG      GLU  52  -5.221   5.245   4.513
  382    H    ASP  53           H        ASP  53  -2.179   4.391   7.551
  383    HA   ASP  53           HA       ASP  53  -3.403   7.001   7.951
  384    HB2  ASP  53           1HB      ASP  53  -3.365   4.962   9.498
  385    HB3  ASP  53           2HB      ASP  53  -1.707   5.368   9.886
  386    H    ALA  54           H        ALA  54  -0.174   5.684   7.738
  387    HA   ALA  54           HA       ALA  54   1.349   7.774   8.834
  388    HB1  ALA  54           1HB      ALA  54   2.225   5.593   8.494
  389    HB2  ALA  54           2HB      ALA  54   1.984   5.680   6.735
  390    HB3  ALA  54           3HB      ALA  54   3.219   6.701   7.515
  391    H    PHE  55           H        PHE  55   0.640   7.386   5.288
  392    HA   PHE  55           HA       PHE  55   1.933   9.891   4.644
  393    HB2  PHE  55           1HB      PHE  55   1.206   9.599   2.466
  394    HB3  PHE  55           2HB      PHE  55   1.484   7.975   3.050
  395    HD1  PHE  55           1HD      PHE  55  -1.132  10.483   2.221
  396    HD2  PHE  55           2HD      PHE  55  -0.311   6.341   3.081
  397    HE1  PHE  55           1HE      PHE  55  -3.402   9.870   1.415
  398    HE2  PHE  55           2HE      PHE  55  -2.566   5.733   2.239
  399    HZ   PHE  55           HZ       PHE  55  -4.118   7.488   1.425
  400    H    SER  56           H        SER  56  -1.176   9.083   5.860
  401    HA   SER  56           HA       SER  56  -2.504  11.624   5.249
  402    HB2  SER  56           1HB      SER  56  -3.551   9.282   5.631
  403    HB3  SER  56           2HB      SER  56  -3.359   9.626   7.350
  404    HG   SER  56           HG       SER  56  -5.415  10.293   6.587
  405    H    LYS  57           H        LYS  57  -0.635  10.317   7.987
  406    HA   LYS  57           HA       LYS  57  -1.119  12.557   9.796
  407    HB2  LYS  57           1HB      LYS  57   0.902  10.296   9.652
  408    HB3  LYS  57           2HB      LYS  57   0.948  11.520  10.921
  409    HG2  LYS  57           1HG      LYS  57  -1.002  10.782  11.950
  410    HG3  LYS  57           2HG      LYS  57  -1.646  10.040  10.484
  411    HD2  LYS  57           1HD      LYS  57  -0.918   8.312  12.100
  412    HD3  LYS  57           2HD      LYS  57  -0.052   8.240  10.577
  413    HE2  LYS  57           1HE      LYS  57   1.733   7.990  11.962
  414    HE3  LYS  57           2HE      LYS  57   1.756   9.736  11.807
  415    HZ1  LYS  57           3HZ      LYS  57   1.908   9.110  14.141
  416    HZ2  LYS  57           1HZ      LYS  57   0.497   9.895  13.899
  417    HZ3  LYS  57           2HZ      LYS  57   0.508   8.270  14.070
  418    H    GLY  58           H        GLY  58   1.499  11.671   7.524
  419    HA2  GLY  58           1HA      GLY  58   2.414  13.600   6.210
  420    HA3  GLY  58           2HA      GLY  58   2.665  14.436   7.758
  421    H    LYS  59           H        LYS  59   3.385  11.284   8.512
  422    HA   LYS  59           HA       LYS  59   6.236  11.684   8.284
  423    HB2  LYS  59           1HB      LYS  59   6.348   9.272   9.049
  424    HB3  LYS  59           2HB      LYS  59   5.571  10.403  10.144
  425    HG2  LYS  59           1HG      LYS  59   3.384   9.602   9.644
  426    HG3  LYS  59           2HG      LYS  59   3.966   8.748   8.206
  427    HD2  LYS  59           1HD      LYS  59   3.447   7.215  10.080
  428    HD3  LYS  59           2HD      LYS  59   5.101   7.114   9.529
  429    HE2  LYS  59           1HE      LYS  59   5.837   8.544  11.444
  430    HE3  LYS  59           2HE      LYS  59   4.171   8.580  12.032
  431    HZ1  LYS  59           3HZ      LYS  59   5.428   6.849  13.148
  432    HZ2  LYS  59           1HZ      LYS  59   4.306   6.112  12.208
  433    HZ3  LYS  59           2HZ      LYS  59   5.866   6.158  11.737
  434    H    LYS  60           H        LYS  60   7.728  10.492   7.124
  435    HA   LYS  60           HA       LYS  60   6.847   9.819   4.361
  436    HB2  LYS  60           1HB      LYS  60   8.973  10.442   3.639
  437    HB3  LYS  60           2HB      LYS  60   8.525  11.633   4.849
  438    HG2  LYS  60           1HG      LYS  60   9.978  10.408   6.500
  439    HG3  LYS  60           2HG      LYS  60  10.486   9.331   5.180
  440    HD2  LYS  60           1HD      LYS  60  11.340  11.281   3.913
  441    HD3  LYS  60           2HD      LYS  60  10.852  12.357   5.240
  442    HE2  LYS  60           1HE      LYS  60  12.361  11.124   6.790
  443    HE3  LYS  60           2HE      LYS  60  12.853  10.058   5.466
  444    HZ1  LYS  60           3HZ      LYS  60  14.444  11.854   5.795
  445    HZ2  LYS  60           1HZ      LYS  60  13.756  12.007   4.322
  446    HZ3  LYS  60           2HZ      LYS  60  13.300  12.993   5.547
  447    H    ASN  61           H        ASN  61   7.384   8.099   7.097
  448    HA   ASN  61           HA       ASN  61   7.419   5.603   5.801
  449    HB2  ASN  61           1HB      ASN  61   9.542   4.654   6.559
  450    HB3  ASN  61           2HB      ASN  61   9.869   6.023   5.510
  451   HD21  ASN  61          2HD2      ASN  61  10.381   8.087   6.563
  452   HD22  ASN  61          1HD2      ASN  61  11.227   8.087   8.102
  453    H    THR  62           H        THR  62   7.168   3.861   7.289
  454    HA   THR  62           HA       THR  62   6.682   4.481  10.142
  455    HB   THR  62           HB       THR  62   4.618   5.093   8.842
  456    HG1  THR  62           1HG      THR  62   3.358   4.000  10.478
  457   HG21  THR  62          3HG2      THR  62   3.051   3.260   8.311
  458   HG22  THR  62          1HG2      THR  62   4.476   3.213   7.267
  459   HG23  THR  62          2HG2      THR  62   4.318   2.057   8.611
  460    H    GLU  63           H        GLU  63   5.599   2.295  11.109
  461    HA   GLU  63           HA       GLU  63   7.469   0.084  10.359
  462    HB2  GLU  63           1HB      GLU  63   6.950   1.406  13.045
  463    HB3  GLU  63           2HB      GLU  63   7.675  -0.197  12.890
  464    HG2  GLU  63           1HG      GLU  63   9.466   0.700  11.499
  465    HG3  GLU  63           2HG      GLU  63   8.797   2.329  11.604
  466    H    MET  64           H        MET  64   6.837  -1.959  10.731
  467    HA   MET  64           HA       MET  64   4.205  -2.623  11.888
  468    HB2  MET  64           1HB      MET  64   3.519  -3.761   9.765
  469    HB3  MET  64           2HB      MET  64   3.522  -1.998   9.660
  470    HG2  MET  64           1HG      MET  64   5.563  -1.980   8.397
  471    HG3  MET  64           2HG      MET  64   5.909  -3.658   8.800
  472    HE1  MET  64           3HE      MET  64   5.731  -4.468   5.272
  473    HE2  MET  64           1HE      MET  64   6.694  -3.606   6.498
  474    HE3  MET  64           2HE      MET  64   6.040  -5.217   6.853
  475    H    LEU  65           H        LEU  65   3.836  -4.837  12.156
  476    HA   LEU  65           HA       LEU  65   6.270  -6.524  12.287
  477    HB2  LEU  65           1HB      LEU  65   4.462  -5.763  14.287
  478    HB3  LEU  65           2HB      LEU  65   3.824  -7.311  13.803
  479    HG   LEU  65           HG       LEU  65   5.266  -7.525  15.696
  480   HD11  LEU  65          1HD1      LEU  65   5.307  -9.413  14.135
  481   HD12  LEU  65          2HD1      LEU  65   6.752  -8.729  13.354
  482   HD13  LEU  65          3HD1      LEU  65   6.819  -9.246  15.042
  483   HD21  LEU  65          3HD2      LEU  65   7.604  -6.903  15.735
  484   HD22  LEU  65          1HD2      LEU  65   7.548  -6.414  14.030
  485   HD23  LEU  65          2HD2      LEU  65   6.627  -5.500  15.240
  486    H    ILE  66           H        ILE  66   6.264  -8.506  11.501
  487    HA   ILE  66           HA       ILE  66   3.914  -9.477   9.866
  488    HB   ILE  66           HB       ILE  66   5.325 -10.276   8.180
  489   HG12  ILE  66          1HG1      ILE  66   7.848  -8.985   8.856
  490   HG13  ILE  66          2HG1      ILE  66   7.436 -10.110  10.123
  491   HG21  ILE  66          1HG2      ILE  66   4.466  -7.949   8.118
  492   HG22  ILE  66          2HG2      ILE  66   6.015  -7.372   8.757
  493   HG23  ILE  66          3HG2      ILE  66   5.945  -8.196   7.182
  494   HD11  ILE  66          3HD1      ILE  66   8.808 -11.074   8.215
  495   HD12  ILE  66          1HD1      ILE  66   7.370 -11.987   8.656
  496   HD13  ILE  66          2HD1      ILE  66   7.350 -10.969   7.211
  497    H    ALA  67           H        ALA  67   5.279 -11.960   9.158
  498    HA   ALA  67           HA       ALA  67   4.346 -13.694  11.148
  499    HB1  ALA  67           1HB      ALA  67   4.727 -14.216   8.733
  500    HB2  ALA  67           2HB      ALA  67   6.486 -14.128   9.005
  501    HB3  ALA  67           3HB      ALA  67   5.527 -15.395   9.795
  502    H    GLY  68           H        GLY  68   7.357 -11.972  11.227
  503    HA2  GLY  68           1HA      GLY  68   8.031 -12.936  13.824
  504    HA3  GLY  68           2HA      GLY  68   9.018 -13.785  12.654
  505    H    PHE  69           H        PHE  69   8.254 -10.453  11.859
  506    HA   PHE  69           HA       PHE  69  10.885  -9.447  12.752
  507    HB2  PHE  69           1HB      PHE  69  10.105  -9.754   9.819
  508    HB3  PHE  69           2HB      PHE  69  11.487  -8.855  10.397
  509    HD1  PHE  69           1HD      PHE  69  13.445 -10.004  11.409
  510    HD2  PHE  69           2HD      PHE  69  10.171 -12.211   9.668
  511    HE1  PHE  69           1HE      PHE  69  14.873 -12.032  11.284
  512    HE2  PHE  69           2HE      PHE  69  11.602 -14.231   9.545
  513    HZ   PHE  69           HZ       PHE  69  13.953 -14.148  10.354
  514    H    LEU  70           H        LEU  70  11.135  -7.229  12.606
  515    HA   LEU  70           HA       LEU  70   8.718  -5.564  12.138
  516    HB2  LEU  70           1HB      LEU  70  10.253  -5.376  14.220
  517    HB3  LEU  70           2HB      LEU  70  11.465  -4.737  13.122
  518    HG   LEU  70           HG       LEU  70  10.488  -2.937  14.291
  519   HD11  LEU  70          1HD1      LEU  70  10.845  -2.584  11.777
  520   HD12  LEU  70          2HD1      LEU  70   9.069  -2.668  11.642
  521   HD13  LEU  70          3HD1      LEU  70   9.821  -1.428  12.640
  522   HD21  LEU  70          3HD2      LEU  70   8.060  -2.375  14.186
  523   HD22  LEU  70          1HD2      LEU  70   7.757  -3.944  13.409
  524   HD23  LEU  70          2HD2      LEU  70   8.411  -3.882  15.057
  525    H    TYR  71           H        TYR  71   8.479  -4.573  10.283
  526    HA   TYR  71           HA       TYR  71  10.828  -4.020   8.514
  527    HB2  TYR  71           1HB      TYR  71   8.057  -4.805   7.719
  528    HB3  TYR  71           2HB      TYR  71   9.266  -4.195   6.588
  529    HD1  TYR  71           1HD      TYR  71  11.690  -5.817   7.791
  530    HD2  TYR  71           2HD      TYR  71   7.669  -6.880   6.662
  531    HE1  TYR  71           1HE      TYR  71  12.408  -8.154   7.428
  532    HE2  TYR  71           2HE      TYR  71   8.353  -9.214   6.384
  533    HH   TYR  71           HH       TYR  71  10.169 -10.722   6.354
  534    H    VAL  72           H        VAL  72  11.118  -2.112   7.737
  535    HA   VAL  72           HA       VAL  72   9.471   0.138   8.704
  536    HB   VAL  72           HB       VAL  72  12.160   0.179   7.302
  537   HG11  VAL  72          1HG1      VAL  72  10.918   2.321   7.080
  538   HG12  VAL  72          2HG1      VAL  72  10.662   2.353   8.839
  539   HG13  VAL  72          3HG1      VAL  72  12.299   2.500   8.170
  540   HG21  VAL  72          3HG2      VAL  72  13.110   0.675   9.539
  541   HG22  VAL  72          1HG2      VAL  72  11.522   0.364  10.273
  542   HG23  VAL  72          2HG2      VAL  72  12.412  -0.943   9.461
  543    H    ALA  73           H        ALA  73   7.829   0.604   7.422
  544    HA   ALA  73           HA       ALA  73   7.794   0.203   4.523
  545    HB1  ALA  73           1HB      ALA  73   5.849  -0.262   6.059
  546    HB2  ALA  73           2HB      ALA  73   5.742   1.467   6.386
  547    HB3  ALA  73           3HB      ALA  73   5.473   0.868   4.730
  548    H    ASP  74           H        ASP  74   9.083   1.570   3.443
  549    HA   ASP  74           HA       ASP  74   9.121   4.461   4.041
  550    HB2  ASP  74           1HB      ASP  74  11.209   3.211   3.590
  551    HB3  ASP  74           2HB      ASP  74  10.621   2.825   1.972
  552    H    LEU  75           H        LEU  75   7.498   5.639   3.308
  553    HA   LEU  75           HA       LEU  75   5.782   4.976   1.099
  554    HB2  LEU  75           1HB      LEU  75   6.194   7.355   2.946
  555    HB3  LEU  75           2HB      LEU  75   5.120   7.499   1.587
  556    HG   LEU  75           HG       LEU  75   4.706   5.204   3.540
  557   HD11  LEU  75          1HD1      LEU  75   4.760   7.191   4.970
  558   HD12  LEU  75          2HD1      LEU  75   3.709   8.076   3.843
  559   HD13  LEU  75          3HD1      LEU  75   3.080   6.681   4.737
  560   HD21  LEU  75          3HD2      LEU  75   2.386   5.494   2.747
  561   HD22  LEU  75          1HD2      LEU  75   2.917   6.797   1.665
  562   HD23  LEU  75          2HD2      LEU  75   3.532   5.151   1.422
  563    H    GLU  76           H        GLU  76   8.754   6.830   1.305
  564    HA   GLU  76           HA       GLU  76   8.274   8.537  -0.963
  565    HB2  GLU  76           1HB      GLU  76  10.835   7.721   0.470
  566    HB3  GLU  76           2HB      GLU  76  10.750   8.939  -0.789
  567    HG2  GLU  76           1HG      GLU  76   9.243   9.047   1.863
  568    HG3  GLU  76           2HG      GLU  76  10.769   9.855   1.551
  569    H    ASN  77           H        ASN  77  10.247   5.582  -0.580
  570    HA   ASN  77           HA       ASN  77  10.660   5.379  -3.520
  571    HB2  ASN  77           1HB      ASN  77  11.907   3.860  -1.196
  572    HB3  ASN  77           2HB      ASN  77  12.376   3.730  -2.887
  573   HD21  ASN  77          2HD2      ASN  77  12.439   5.812  -0.017
  574   HD22  ASN  77          1HD2      ASN  77  13.702   6.885  -0.627
  575    H    MET  78           H        MET  78   8.485   4.287  -1.257
  576    HA   MET  78           HA       MET  78   6.965   2.590  -1.031
  577    HB2  MET  78           1HB      MET  78   7.360   2.311  -4.029
  578    HB3  MET  78           2HB      MET  78   6.102   1.503  -3.111
  579    HG2  MET  78           1HG      MET  78   6.213   4.468  -2.758
  580    HG3  MET  78           2HG      MET  78   5.818   3.885  -4.361
  581    HE1  MET  78           3HE      MET  78   3.187   3.433  -0.611
  582    HE2  MET  78           1HE      MET  78   4.794   2.689  -0.632
  583    HE3  MET  78           2HE      MET  78   4.623   4.459  -0.781
  584    H    VAL  79           H        VAL  79   8.883   1.660   0.224
  585    HA   VAL  79           HA       VAL  79   9.238  -1.143  -0.667
  586    HB   VAL  79           HB       VAL  79  11.653  -1.186  -0.164
  587   HG11  VAL  79          1HG1      VAL  79  10.921  -1.079  -2.504
  588   HG12  VAL  79          2HG1      VAL  79  11.040   0.695  -2.457
  589   HG13  VAL  79          3HG1      VAL  79  12.488  -0.305  -2.241
  590   HG21  VAL  79          3HG2      VAL  79  12.987   0.876  -0.131
  591   HG22  VAL  79          1HG2      VAL  79  11.504   1.851  -0.169
  592   HG23  VAL  79          2HG2      VAL  79  11.862   0.821   1.232
  593    H    GLN  80           H        GLN  80   9.911  -2.652   0.868
  594    HA   GLN  80           HA       GLN  80   9.670  -1.886   3.746
  595    HB2  GLN  80           1HB      GLN  80   9.014  -4.453   2.210
  596    HB3  GLN  80           2HB      GLN  80   8.885  -4.280   3.964
  597    HG2  GLN  80           1HG      GLN  80   7.336  -2.615   1.949
  598    HG3  GLN  80           2HG      GLN  80   6.744  -4.092   2.703
  599   HE21  GLN  80          2HE2      GLN  80   4.987  -2.348   3.302
  600   HE22  GLN  80          1HE2      GLN  80   5.282  -1.564   4.838
  601    H    TYR  81           H        TYR  81  11.404  -2.257   4.985
  602    HA   TYR  81           HA       TYR  81  13.193  -4.537   4.448
  603    HB2  TYR  81           1HB      TYR  81  15.215  -3.055   4.725
  604    HB3  TYR  81           2HB      TYR  81  14.365  -2.945   3.210
  605    HD1  TYR  81           2HD      TYR  81  14.555  -1.178   6.562
  606    HD2  TYR  81           1HD      TYR  81  13.795  -0.860   2.328
  607    HE1  TYR  81           2HE      TYR  81  14.518   1.289   6.750
  608    HE2  TYR  81           1HE      TYR  81  13.814   1.596   2.490
  609    HH   TYR  81           HH       TYR  81  14.002   3.427   3.909
  610    H    ARG  82           H        ARG  82  14.640  -5.047   6.197
  611    HA   ARG  82           HA       ARG  82  13.441  -4.720   8.832
  612    HB2  ARG  82           1HB      ARG  82  14.416  -6.826   8.029
  613    HB3  ARG  82           2HB      ARG  82  16.004  -6.068   7.893
  614    HG2  ARG  82           1HG      ARG  82  16.124  -5.777  10.320
  615    HG3  ARG  82           2HG      ARG  82  14.446  -6.333  10.509
  616    HD2  ARG  82           1HD      ARG  82  15.028  -8.551   9.703
  617    HD3  ARG  82           2HD      ARG  82  16.663  -8.044   9.297
  618    HE   ARG  82           HE       ARG  82  15.546  -8.539  12.001
  619   HH11  ARG  82          1HH1      ARG  82  18.407  -7.433  10.187
  620   HH12  ARG  82          2HH1      ARG  82  19.483  -7.925  11.460
  621   HH21  ARG  82          1HH2      ARG  82  17.001  -9.027  13.627
  622   HH22  ARG  82          2HH2      ARG  82  18.697  -8.730  13.403
  623    H    ARG  83           H        ARG  83  14.243  -3.581  10.583
  624    HA   ARG  83           HA       ARG  83  15.213  -1.025  10.170
  625    HB2  ARG  83           1HB      ARG  83  15.293  -2.786  12.645
  626    HB3  ARG  83           2HB      ARG  83  15.827  -1.102  12.667
  627    HG2  ARG  83           1HG      ARG  83  13.629  -0.304  11.988
  628    HG3  ARG  83           2HG      ARG  83  13.046  -1.962  11.787
  629    HD2  ARG  83           1HD      ARG  83  12.275  -0.975  13.931
  630    HD3  ARG  83           2HD      ARG  83  13.236  -2.428  14.143
  631    HE   ARG  83           HE       ARG  83  14.965  -1.221  15.120
  632   HH11  ARG  83          1HH1      ARG  83  12.402   1.089  14.218
  633   HH12  ARG  83          2HH1      ARG  83  13.248   2.405  14.980
  634   HH21  ARG  83          1HH2      ARG  83  15.921   0.517  16.122
  635   HH22  ARG  83          2HH2      ARG  83  15.164   2.079  16.079
  636    H    ASN  84           H        ASN  84  17.275  -3.869  10.762
  637    HA   ASN  84           HA       ASN  84  19.632  -2.234  11.291
  638    HB2  ASN  84           1HB      ASN  84  19.098  -4.340  12.482
  639    HB3  ASN  84           2HB      ASN  84  19.324  -5.233  10.985
  640   HD21  ASN  84          2HD2      ASN  84  21.436  -5.872  10.434
  641   HD22  ASN  84          1HD2      ASN  84  22.847  -5.376  11.369
  642    H    GLU  85           H        GLU  85  18.282  -3.588   8.332
  643    HA   GLU  85           HA       GLU  85  20.537  -2.543   6.831
  644    HB2  GLU  85           1HB      GLU  85  21.084  -4.592   5.636
  645    HB3  GLU  85           2HB      GLU  85  21.555  -4.635   7.321
  646    HG2  GLU  85           1HG      GLU  85  19.044  -5.989   6.244
  647    HG3  GLU  85           2HG      GLU  85  20.613  -6.769   6.349
  648    H    HIS  86           H        HIS  86  19.956  -1.692   5.023
  649    HA   HIS  86           HA       HIS  86  17.199  -1.865   4.081
  650    HB2  HIS  86           1HB      HIS  86  17.875  -0.014   2.661
  651    HB3  HIS  86           2HB      HIS  86  18.399   0.256   4.324
  652    HD2  HIS  86           2HD      HIS  86  19.748  -0.333   0.790
  653    HE1  HIS  86           1HE      HIS  86  23.163   0.311   3.249
  654    HE2  HIS  86           2HE      HIS  86  22.352   0.047   0.846
  655    H    GLY  87           H        GLY  87  20.126  -3.409   3.206
  656    HA2  GLY  87           1HA      GLY  87  19.856  -3.719   0.400
  657    HA3  GLY  87           2HA      GLY  87  20.800  -4.788   1.459
  658    H    ARG  88           H        ARG  88  17.993  -5.298   2.817
  659    HA   ARG  88           HA       ARG  88  17.138  -7.556   1.105
  660    HB2  ARG  88           1HB      ARG  88  16.612  -6.651   3.950
  661    HB3  ARG  88           2HB      ARG  88  15.476  -7.739   3.179
  662    HG2  ARG  88           1HG      ARG  88  17.005  -9.032   4.452
  663    HG3  ARG  88           2HG      ARG  88  17.213  -9.391   2.737
  664    HD2  ARG  88           1HD      ARG  88  19.270  -8.061   2.667
  665    HD3  ARG  88           2HD      ARG  88  19.019  -7.544   4.352
  666    HE   ARG  88           HE       ARG  88  18.997 -10.399   4.258
  667   HH11  ARG  88          1HH1      ARG  88  21.453  -7.847   3.890
  668   HH12  ARG  88          2HH1      ARG  88  22.709  -8.919   4.440
  669   HH21  ARG  88          1HH2      ARG  88  20.493 -11.604   4.874
  670   HH22  ARG  88          2HH2      ARG  88  22.187 -11.104   5.013
  671    H    ARG  89           H        ARG  89  16.406  -4.316   0.945
  672    HA   ARG  89           HA       ARG  89  13.732  -4.127   1.364
  673    HB2  ARG  89           1HB      ARG  89  13.694  -2.068   0.130
  674    HB3  ARG  89           2HB      ARG  89  15.114  -2.219   1.145
  675    HG2  ARG  89           1HG      ARG  89  16.438  -2.865  -0.913
  676    HG3  ARG  89           2HG      ARG  89  14.995  -2.456  -1.876
  677    HD2  ARG  89           1HD      ARG  89  15.039  -0.162  -0.993
  678    HD3  ARG  89           2HD      ARG  89  16.432  -0.571   0.032
  679    HE   ARG  89           HE       ARG  89  17.007  -1.175  -2.712
  680   HH11  ARG  89          1HH1      ARG  89  16.742   1.641  -0.578
  681   HH12  ARG  89          2HH1      ARG  89  17.847   2.579  -1.536
  682   HH21  ARG  89          1HH2      ARG  89  18.417   0.098  -3.901
  683   HH22  ARG  89          2HH2      ARG  89  18.775   1.718  -3.391
  684    H    ARG  90           H        ARG  90  11.886  -4.590   0.558
  685    HA   ARG  90           HA       ARG  90  11.587  -5.776  -2.188
  686    HB2  ARG  90           1HB      ARG  90  10.100  -6.209   0.436
  687    HB3  ARG  90           2HB      ARG  90   9.444  -6.718  -1.125
  688    HG2  ARG  90           1HG      ARG  90  11.323  -8.196  -1.533
  689    HG3  ARG  90           2HG      ARG  90  12.138  -7.652  -0.054
  690    HD2  ARG  90           1HD      ARG  90  10.380  -8.540   1.341
  691    HD3  ARG  90           2HD      ARG  90   9.380  -8.958  -0.051
  692    HE   ARG  90           HE       ARG  90  11.736 -10.395   0.998
  693   HH11  ARG  90          1HH1      ARG  90   9.598 -10.107  -1.835
  694   HH12  ARG  90          2HH1      ARG  90  10.147 -11.616  -2.496
  695   HH21  ARG  90          1HH2      ARG  90  12.075 -12.469   0.297
  696   HH22  ARG  90          2HH2      ARG  90  11.525 -12.960  -1.288
  697    H    LYS  91           H        LYS  91  10.267  -4.790  -3.608
  698    HA   LYS  91           HA       LYS  91   9.160  -2.190  -3.122
  699    HB2  LYS  91           1HB      LYS  91   9.647  -3.997  -5.357
  700    HB3  LYS  91           2HB      LYS  91   8.031  -3.360  -5.489
  701    HG2  LYS  91           1HG      LYS  91  10.439  -1.564  -5.011
  702    HG3  LYS  91           2HG      LYS  91   9.964  -2.082  -6.623
  703    HD2  LYS  91           1HD      LYS  91   8.062  -0.629  -4.748
  704    HD3  LYS  91           2HD      LYS  91   9.114   0.210  -5.888
  705    HE2  LYS  91           1HE      LYS  91   8.027  -0.824  -7.780
  706    HE3  LYS  91           2HE      LYS  91   7.139  -1.944  -6.741
  707    HZ1  LYS  91           3HZ      LYS  91   5.749  -0.082  -7.446
  708    HZ2  LYS  91           1HZ      LYS  91   5.914  -0.086  -5.816
  709    HZ3  LYS  91           2HZ      LYS  91   6.750   0.994  -6.733
  710    H    ILE  92           H        ILE  92   7.132  -1.421  -2.960
  711    HA   ILE  92           HA       ILE  92   4.831  -3.318  -2.739
  712    HB   ILE  92           HB       ILE  92   3.928  -2.191  -0.843
  713   HG12  ILE  92          1HG1      ILE  92   6.190  -0.239  -1.144
  714   HG13  ILE  92          2HG1      ILE  92   4.463   0.072  -1.119
  715   HG21  ILE  92          1HG2      ILE  92   5.651  -4.009  -0.570
  716   HG22  ILE  92          2HG2      ILE  92   6.843  -2.747  -0.231
  717   HG23  ILE  92          3HG2      ILE  92   5.416  -2.956   0.820
  718   HD11  ILE  92          3HD1      ILE  92   5.430   0.839   0.957
  719   HD12  ILE  92          1HD1      ILE  92   4.464  -0.610   1.324
  720   HD13  ILE  92          2HD1      ILE  92   6.243  -0.702   1.233
  721    H    LYS  93           H        LYS  93   2.713  -2.131  -2.800
  722    HA   LYS  93           HA       LYS  93   2.678   0.351  -4.358
  723    HB2  LYS  93           1HB      LYS  93   1.486  -0.530  -6.260
  724    HB3  LYS  93           2HB      LYS  93   2.998  -1.415  -6.101
  725    HG2  LYS  93           1HG      LYS  93   1.858  -3.350  -5.176
  726    HG3  LYS  93           2HG      LYS  93   0.334  -2.458  -5.035
  727    HD2  LYS  93           1HD      LYS  93   0.188  -2.218  -7.465
  728    HD3  LYS  93           2HD      LYS  93   1.696  -3.142  -7.666
  729    HE2  LYS  93           1HE      LYS  93   0.709  -5.141  -6.783
  730    HE3  LYS  93           2HE      LYS  93  -0.677  -4.261  -6.118
  731    HZ1  LYS  93           3HZ      LYS  93  -1.205  -5.464  -8.184
  732    HZ2  LYS  93           1HZ      LYS  93  -1.505  -3.864  -8.298
  733    HZ3  LYS  93           2HZ      LYS  93  -0.173  -4.510  -9.026
  734    H    ARG  94           H        ARG  94   0.515   1.106  -4.822
  735    HA   ARG  94           HA       ARG  94  -1.578   0.329  -2.828
  736    HB2  ARG  94           1HB      ARG  94  -1.163   2.940  -4.355
  737    HB3  ARG  94           2HB      ARG  94  -2.517   2.576  -3.275
  738    HG2  ARG  94           1HG      ARG  94  -0.953   2.339  -1.368
  739    HG3  ARG  94           2HG      ARG  94   0.417   2.659  -2.427
  740    HD2  ARG  94           1HD      ARG  94  -0.142   4.678  -1.185
  741    HD3  ARG  94           2HD      ARG  94  -0.366   4.909  -2.916
  742    HE   ARG  94           HE       ARG  94  -2.549   5.459  -2.507
  743   HH11  ARG  94          1HH1      ARG  94  -1.572   3.383   0.178
  744   HH12  ARG  94          2HH1      ARG  94  -3.102   3.617   1.006
  745   HH21  ARG  94          1HH2      ARG  94  -4.461   5.767  -1.275
  746   HH22  ARG  94          2HH2      ARG  94  -4.591   4.992   0.293
  747    H    ASP  95           H        ASP  95  -3.579  -0.252  -3.624
  748    HA   ASP  95           HA       ASP  95  -4.220  -0.007  -6.499
  749    HB2  ASP  95           1HB      ASP  95  -2.993  -2.351  -5.583
  750    HB3  ASP  95           2HB      ASP  95  -4.720  -2.727  -5.476
  751    H    ILE  96           H        ILE  96  -6.398  -1.333  -6.823
  752    HA   ILE  96           HA       ILE  96  -8.362  -0.480  -4.724
  753    HB   ILE  96           HB       ILE  96  -8.591  -0.104  -7.721
  754   HG12  ILE  96          1HG1      ILE  96  -7.002   1.530  -6.739
  755   HG13  ILE  96          2HG1      ILE  96  -8.448   2.278  -7.391
  756   HG21  ILE  96          1HG2      ILE  96 -10.805  -0.455  -6.830
  757   HG22  ILE  96          2HG2      ILE  96 -10.491   0.574  -5.409
  758   HG23  ILE  96          3HG2      ILE  96 -10.650   1.286  -7.031
  759   HD11  ILE  96          3HD1      ILE  96  -7.662   3.183  -5.147
  760   HD12  ILE  96          1HD1      ILE  96  -9.365   2.676  -5.223
  761   HD13  ILE  96          2HD1      ILE  96  -8.174   1.628  -4.444
  762    H    ILE  97           H        ILE  97 -10.029  -1.770  -4.407
  763    HA   ILE  97           HA       ILE  97 -10.150  -4.437  -5.754
  764    HB   ILE  97           HB       ILE  97 -11.694  -3.406  -3.368
  765   HG12  ILE  97          1HG1      ILE  97 -10.197  -5.348  -2.299
  766   HG13  ILE  97          2HG1      ILE  97  -9.080  -4.904  -3.585
  767   HG21  ILE  97          1HG2      ILE  97 -12.957  -5.078  -4.481
  768   HG22  ILE  97          2HG2      ILE  97 -11.545  -6.163  -4.610
  769   HG23  ILE  97          3HG2      ILE  97 -12.276  -5.793  -3.026
  770   HD11  ILE  97          3HD1      ILE  97  -8.949  -3.766  -1.227
  771   HD12  ILE  97          1HD1      ILE  97  -8.726  -2.758  -2.676
  772   HD13  ILE  97          2HD1      ILE  97 -10.275  -2.760  -1.790
  773    H    ASP  98           H        ASP  98 -11.853  -5.071  -6.998
  774    HA   ASP  98           HA       ASP  98 -13.764  -2.972  -7.824
  775    HB2  ASP  98           1HB      ASP  98 -12.270  -4.076  -9.489
  776    HB3  ASP  98           2HB      ASP  98 -13.102  -5.599  -9.180
  777    H    ILE  99           H        ILE  99 -13.799  -5.983  -6.185
  778    HA   ILE  99           HA       ILE  99 -15.307  -7.066  -4.931
  779    HB   ILE  99           HB       ILE  99 -17.329  -4.931  -5.585
  780   HG12  ILE  99          1HG1      ILE  99 -15.289  -3.974  -4.493
  781   HG13  ILE  99          2HG1      ILE  99 -16.754  -3.812  -3.551
  782   HG21  ILE  99          1HG2      ILE  99 -18.483  -6.846  -4.742
  783   HG22  ILE  99          2HG2      ILE  99 -17.336  -7.029  -3.400
  784   HG23  ILE  99          3HG2      ILE  99 -18.425  -5.628  -3.472
  785   HD11  ILE  99          3HD1      ILE  99 -14.723  -4.442  -2.215
  786   HD12  ILE  99          1HD1      ILE  99 -16.084  -5.554  -2.014
  787   HD13  ILE  99          2HD1      ILE  99 -14.710  -6.014  -3.038
  788    HA   PRO 100           HA       PRO 100 -17.322  -9.556  -8.109
  789    HB2  PRO 100           1HB      PRO 100 -17.696 -11.852  -6.717
  790    HB3  PRO 100           2HB      PRO 100 -16.069 -11.283  -7.177
  791    HG2  PRO 100           1HG      PRO 100 -17.499 -10.933  -4.514
  792    HG3  PRO 100           2HG      PRO 100 -15.822 -11.497  -4.796
  793    HD2  PRO 100           1HD      PRO 100 -16.471  -8.867  -4.195
  794    HD3  PRO 100           2HD      PRO 100 -15.065  -9.319  -5.201
  795    H    LYS 101           H        LYS 101 -19.368 -10.683  -8.410
  796    HA   LYS 101           HA       LYS 101 -21.639  -9.278  -7.336
  797    HB2  LYS 101           1HB      LYS 101 -23.007 -10.874  -8.554
  798    HB3  LYS 101           2HB      LYS 101 -21.691 -10.246  -9.542
  799    HG2  LYS 101           1HG      LYS 101 -20.432 -12.367  -9.255
  800    HG3  LYS 101           2HG      LYS 101 -21.684 -12.977  -8.170
  801    HD2  LYS 101           1HD      LYS 101 -21.978 -13.964 -10.365
  802    HD3  LYS 101           2HD      LYS 101 -23.344 -12.935  -9.959
  803    HE2  LYS 101           1HE      LYS 101 -22.834 -12.583 -12.268
  804    HE3  LYS 101           2HE      LYS 101 -22.396 -11.116 -11.398
  805    HZ1  LYS 101           3HZ      LYS 101 -20.688 -11.780 -12.995
  806    HZ2  LYS 101           1HZ      LYS 101 -20.068 -11.851 -11.487
  807    HZ3  LYS 101           2HZ      LYS 101 -20.492 -13.228 -12.267
  808    H    LYS 102           H        LYS 102 -20.080 -12.258  -6.315
  809    HA   LYS 102           HA       LYS 102 -21.987 -13.141  -4.370
  810    HB2  LYS 102           1HB      LYS 102 -20.105 -14.425  -5.404
  811    HB3  LYS 102           2HB      LYS 102 -18.955 -13.488  -4.441
  812    HG2  LYS 102           1HG      LYS 102 -19.965 -14.377  -2.358
  813    HG3  LYS 102           2HG      LYS 102 -21.165 -15.270  -3.301
  814    HD2  LYS 102           1HD      LYS 102 -18.144 -15.692  -3.423
  815    HD3  LYS 102           2HD      LYS 102 -19.274 -16.661  -2.466
  816    HE2  LYS 102           1HE      LYS 102 -20.476 -17.313  -4.558
  817    HE3  LYS 102           2HE      LYS 102 -19.299 -16.399  -5.510
  818    HZ1  LYS 102           3HZ      LYS 102 -18.718 -18.744  -5.411
  819    HZ2  LYS 102           1HZ      LYS 102 -17.562 -17.872  -4.656
  820    HZ3  LYS 102           2HZ      LYS 102 -18.651 -18.722  -3.780
  821    H    GLY 103           H        GLY 103 -19.787 -10.446  -4.275
  822    HA2  GLY 103           1HA      GLY 103 -19.725 -10.129  -1.364
  823    HA3  GLY 103           2HA      GLY 103 -19.093  -9.016  -2.606
  824    H    VAL 104           H        VAL 104 -22.037  -9.285  -3.752
  825    HA   VAL 104           HA       VAL 104 -22.994  -6.807  -2.568
  826    HB   VAL 104           HB       VAL 104 -24.423  -8.722  -4.460
  827   HG11  VAL 104          1HG1      VAL 104 -26.055  -7.290  -3.287
  828   HG12  VAL 104          2HG1      VAL 104 -25.086  -5.848  -3.660
  829   HG13  VAL 104          3HG1      VAL 104 -25.880  -6.760  -4.961
  830   HG21  VAL 104          3HG2      VAL 104 -23.818  -7.067  -6.206
  831   HG22  VAL 104          1HG2      VAL 104 -22.903  -6.128  -5.008
  832   HG23  VAL 104          2HG2      VAL 104 -22.369  -7.758  -5.470
  833    H    SER 105           H        SER 105 -23.887  -6.679  -0.653
  834    HA   SER 105           HA       SER 105 -25.470  -8.964   0.500
  835    HB2  SER 105           1HB      SER 105 -23.465  -7.177   1.922
  836    HB3  SER 105           2HB      SER 105 -24.359  -8.535   2.618
  837    HG   SER 105           HG       SER 105 -22.358  -8.632   0.585
  838    H    GLY 106           H        GLY 106 -26.049  -5.957  -0.572
  839    HA2  GLY 106           1HA      GLY 106 -27.887  -4.557  -0.197
  840    HA3  GLY 106           2HA      GLY 106 -28.286  -5.481   1.263
  841    HA   PRO 107           HA       PRO 107 -26.538  -1.309   2.432
  842    HB2  PRO 107           1HB      PRO 107 -28.617  -0.347   3.913
  843    HB3  PRO 107           2HB      PRO 107 -28.593  -0.280   2.124
  844    HG2  PRO 107           1HG      PRO 107 -29.937  -2.355   3.890
  845    HG3  PRO 107           2HG      PRO 107 -30.645  -1.451   2.512
  846    HD2  PRO 107           1HD      PRO 107 -29.636  -3.967   2.228
  847    HD3  PRO 107           2HD      PRO 107 -29.458  -2.744   0.935
  848    H    SER 108           H        SER 108 -25.763  -0.574   4.480
  849    HA   SER 108           HA       SER 108 -26.227  -1.945   6.975
  850    HB2  SER 108           1HB      SER 108 -24.808  -3.620   5.686
  851    HB3  SER 108           2HB      SER 108 -23.509  -2.420   5.702
  852    HG   SER 108           HG       SER 108 -23.406  -3.954   7.461
  853    H    SER 109           H        SER 109 -24.280  -1.240   8.540
  854    HA   SER 109           HA       SER 109 -23.107   1.370   8.045
  855    HB2  SER 109           1HB      SER 109 -25.479   2.013   8.428
  856    HB3  SER 109           2HB      SER 109 -25.422   1.223  10.012
  857    HG   SER 109           HG       SER 109 -25.045   3.497  10.117
  858    H    GLY 110           H        GLY 110 -21.474   1.798   9.463
  859    HA2  GLY 110           1HA      GLY 110 -21.202   0.904  12.147
  860    HA3  GLY 110           2HA      GLY 110 -20.307  -0.201  11.098
  861   H5'1  ATP 201          H5"       ATP 111  12.297 -13.802   4.653
  862   H5'2  ATP 201          H5'       ATP 111  12.035 -12.530   5.842
  863    H4'  ATP 201           H4'      ATP 111  10.225 -14.134   5.907
  864    H3'  ATP 201           H3'      ATP 111  10.473 -14.487   3.191
  865   HO3'  ATP 201          H3T       ATP 111   8.190 -15.333   3.461
  866    H2'  ATP 201           H2'      ATP 111   9.631 -12.354   2.606
  867   HO2'  ATP 201          2HO       ATP 111   8.251 -13.871   1.522
  868    H1'  ATP 201           H1'      ATP 111   7.457 -12.671   4.692
  869    H8   ATP 201           8H       ATP 111  10.022 -10.092   3.248
  870   HN61  ATP 201          2H6       ATP 111   6.777  -6.392   2.932
  871   HN62  ATP 201          1H6       ATP 111   5.102  -6.256   3.479
  872    H2   ATP 201           2H       ATP 111   3.936  -9.980   5.348
  Start of MODEL   10
    1    HA   PRO   1           HA       PRO   1  -3.162  16.797   7.648
    2    HB2  PRO   1           1HB      PRO   1  -1.307  18.041   9.676
    3    HB3  PRO   1           2HB      PRO   1  -2.988  18.474   9.249
    4    HG2  PRO   1           1HG      PRO   1  -2.052  16.675  11.340
    5    HG3  PRO   1           2HG      PRO   1  -3.754  17.035  10.924
    6    HD2  PRO   1           1HD      PRO   1  -2.633  14.545  10.552
    7    HD3  PRO   1           2HD      PRO   1  -3.939  15.202   9.535
    8    H    SER   2           H        SER   2  -2.001  18.978   6.906
    9    HA   SER   2           HA       SER   2   0.761  18.867   6.039
   10    HB2  SER   2           1HB      SER   2  -1.475  18.335   4.046
   11    HB3  SER   2           2HB      SER   2   0.039  19.109   3.559
   12    HG   SER   2           HG       SER   2   0.007  16.631   4.952
   13    H    SER   3           H        SER   3   1.401  20.891   4.998
   14    HA   SER   3           HA       SER   3   0.032  23.144   6.143
   15    HB2  SER   3           1HB      SER   3   2.383  23.106   4.223
   16    HB3  SER   3           2HB      SER   3   1.921  24.417   5.322
   17    HG   SER   3           HG       SER   3   3.628  23.131   6.186
   18    H    GLY   4           H        GLY   4  -0.832  21.638   3.346
   19    HA2  GLY   4           1HA      GLY   4  -1.375  24.005   1.644
   20    HA3  GLY   4           2HA      GLY   4  -1.673  22.301   1.260
   21    H    SER   5           H        SER   5  -3.745  22.405   0.655
   22    HA   SER   5           HA       SER   5  -5.859  22.696   2.641
   23    HB2  SER   5           1HB      SER   5  -5.392  25.086   2.037
   24    HB3  SER   5           2HB      SER   5  -5.811  24.709   0.360
   25    HG   SER   5           HG       SER   5  -7.588  25.588   1.568
   26    H    SER   6           H        SER   6  -5.095  22.473  -0.885
   27    HA   SER   6           HA       SER   6  -6.738  20.063  -1.124
   28    HB2  SER   6           1HB      SER   6  -8.089  20.935  -2.974
   29    HB3  SER   6           2HB      SER   6  -8.419  21.800  -1.470
   30    HG   SER   6           HG       SER   6  -8.207  23.236  -3.259
   31    H    GLY   7           H        GLY   7  -6.480  19.017  -3.237
   32    HA2  GLY   7           1HA      GLY   7  -5.276  18.419  -5.156
   33    HA3  GLY   7           2HA      GLY   7  -4.150  19.764  -4.906
   34    H    PHE   8           H        PHE   8  -3.229  17.343  -5.676
   35    HA   PHE   8           HA       PHE   8  -1.696  16.250  -3.387
   36    HB2  PHE   8           1HB      PHE   8  -3.485  14.784  -5.380
   37    HB3  PHE   8           2HB      PHE   8  -2.289  13.990  -4.394
   38    HD1  PHE   8           1HD      PHE   8  -2.464  14.139  -1.827
   39    HD2  PHE   8           2HD      PHE   8  -5.675  15.242  -4.490
   40    HE1  PHE   8           1HE      PHE   8  -4.086  13.930   0.040
   41    HE2  PHE   8           2HE      PHE   8  -7.294  15.032  -2.619
   42    HZ   PHE   8           HZ       PHE   8  -6.504  14.377  -0.351
   43    H    LEU   9           H        LEU   9  -0.061  14.621  -4.256
   44    HA   LEU   9           HA       LEU   9   1.032  15.264  -6.933
   45    HB2  LEU   9           1HB      LEU   9   2.110  16.796  -5.304
   46    HB3  LEU   9           2HB      LEU   9   2.563  15.420  -4.301
   47    HG   LEU   9           HG       LEU   9   4.037  14.571  -6.120
   48   HD11  LEU   9          1HD1      LEU   9   2.938  15.519  -8.115
   49   HD12  LEU   9          2HD1      LEU   9   3.287  17.167  -7.548
   50   HD13  LEU   9          3HD1      LEU   9   4.609  16.078  -8.021
   51   HD21  LEU   9          3HD2      LEU   9   5.777  16.294  -5.869
   52   HD22  LEU   9          1HD2      LEU   9   4.560  17.463  -5.312
   53   HD23  LEU   9          2HD2      LEU   9   4.928  16.023  -4.338
   54    H    ASP  10           H        ASP  10   1.873  13.540  -7.951
   55    HA   ASP  10           HA       ASP  10   2.498  10.967  -6.662
   56    HB2  ASP  10           1HB      ASP  10  -0.054  11.222  -6.849
   57    HB3  ASP  10           2HB      ASP  10   0.194  11.256  -8.598
   58    H    LYS  11           H        LYS  11   2.846   9.338  -8.303
   59    HA   LYS  11           HA       LYS  11   4.863  10.129 -10.228
   60    HB2  LYS  11           1HB      LYS  11   3.581   7.619  -9.149
   61    HB3  LYS  11           2HB      LYS  11   4.512   7.482 -10.641
   62    HG2  LYS  11           1HG      LYS  11   6.117   9.039  -8.830
   63    HG3  LYS  11           2HG      LYS  11   5.439   7.713  -7.885
   64    HD2  LYS  11           1HD      LYS  11   6.310   6.092  -9.575
   65    HD3  LYS  11           2HD      LYS  11   6.990   7.455 -10.500
   66    HE2  LYS  11           1HE      LYS  11   8.370   8.091  -8.523
   67    HE3  LYS  11           2HE      LYS  11   7.708   6.721  -7.621
   68    HZ1  LYS  11           3HZ      LYS  11   9.857   6.182  -8.597
   69    HZ2  LYS  11           1HZ      LYS  11   8.709   5.238  -9.275
   70    HZ3  LYS  11           2HZ      LYS  11   9.324   6.509 -10.105
   71    HA   PRO  12           HA       PRO  12   2.642  10.647 -13.894
   72    HB2  PRO  12           1HB      PRO  12   4.275   9.699 -15.873
   73    HB3  PRO  12           2HB      PRO  12   4.676  11.108 -14.857
   74    HG2  PRO  12           1HG      PRO  12   5.526   8.218 -14.491
   75    HG3  PRO  12           2HG      PRO  12   6.580   9.672 -14.485
   76    HD2  PRO  12           1HD      PRO  12   5.678   8.539 -12.177
   77    HD3  PRO  12           2HD      PRO  12   5.836  10.304 -12.323
   78    H    THR  13           H        THR  13   1.907   9.640 -15.964
   79    HA   THR  13           HA       THR  13   1.112   6.868 -16.085
   80    HB   THR  13           HB       THR  13  -0.220   7.676 -14.099
   81    HG1  THR  13           1HG      THR  13  -1.206   6.063 -15.080
   82   HG21  THR  13          3HG2      THR  13  -1.954   9.263 -14.334
   83   HG22  THR  13          1HG2      THR  13  -0.518  10.045 -14.981
   84   HG23  THR  13          2HG2      THR  13  -1.741   9.393 -16.095
   85    H    LEU  14           H        LEU  14  -0.756   6.626 -17.589
   86    HA   LEU  14           HA       LEU  14  -0.316   8.338 -20.008
   87    HB2  LEU  14           1HB      LEU  14  -1.254   5.449 -19.850
   88    HB3  LEU  14           2HB      LEU  14  -0.831   6.345 -21.294
   89    HG   LEU  14           HG       LEU  14   1.475   6.455 -19.532
   90   HD11  LEU  14          1HD1      LEU  14   0.507   4.507 -18.373
   91   HD12  LEU  14          2HD1      LEU  14   0.411   3.628 -19.918
   92   HD13  LEU  14          3HD1      LEU  14   1.993   4.086 -19.246
   93   HD21  LEU  14          3HD2      LEU  14   2.586   5.282 -21.375
   94   HD22  LEU  14          1HD2      LEU  14   1.013   4.864 -22.092
   95   HD23  LEU  14          2HD2      LEU  14   1.531   6.564 -21.999
   96    H    LEU  15           H        LEU  15  -2.548   7.810 -17.581
   97    HA   LEU  15           HA       LEU  15  -4.981   7.959 -19.254
   98    HB2  LEU  15           1HB      LEU  15  -4.813   7.974 -16.224
   99    HB3  LEU  15           2HB      LEU  15  -6.204   7.611 -17.227
  100    HG   LEU  15           HG       LEU  15  -3.728   5.879 -16.877
  101   HD11  LEU  15          1HD1      LEU  15  -5.329   5.897 -14.982
  102   HD12  LEU  15          2HD1      LEU  15  -6.638   5.435 -16.091
  103   HD13  LEU  15          3HD1      LEU  15  -5.283   4.324 -15.796
  104   HD21  LEU  15          3HD2      LEU  15  -4.935   4.182 -18.245
  105   HD22  LEU  15          1HD2      LEU  15  -6.175   5.396 -18.636
  106   HD23  LEU  15          2HD2      LEU  15  -4.496   5.608 -19.189
  107    H    SER  16           H        SER  16  -6.727   9.356 -18.049
  108    HA   SER  16           HA       SER  16  -5.953  12.195 -18.240
  109    HB2  SER  16           1HB      SER  16  -8.514  10.601 -18.256
  110    HB3  SER  16           2HB      SER  16  -8.539  12.307 -18.017
  111    HG   SER  16           HG       SER  16  -8.757  11.728 -20.264
  112    HA   PRO  17           HA       PRO  17  -6.100  12.924 -13.868
  113    HB2  PRO  17           1HB      PRO  17  -7.325  15.372 -13.676
  114    HB3  PRO  17           2HB      PRO  17  -5.671  15.139 -14.318
  115    HG2  PRO  17           1HG      PRO  17  -8.258  15.390 -15.890
  116    HG3  PRO  17           2HG      PRO  17  -6.705  16.249 -16.165
  117    HD2  PRO  17           1HD      PRO  17  -7.363  14.025 -17.581
  118    HD3  PRO  17           2HD      PRO  17  -5.676  14.329 -17.051
  119    H    GLU  18           H        GLU  18  -9.102  12.849 -15.685
  120    HA   GLU  18           HA       GLU  18 -10.862  12.701 -13.368
  121    HB2  GLU  18           1HB      GLU  18 -11.374  11.922 -16.265
  122    HB3  GLU  18           2HB      GLU  18 -12.593  12.198 -15.024
  123    HG2  GLU  18           1HG      GLU  18 -10.715  14.290 -16.222
  124    HG3  GLU  18           2HG      GLU  18 -12.421  14.089 -16.582
  125    H    GLU  19           H        GLU  19  -9.113  10.354 -15.366
  126    HA   GLU  19           HA       GLU  19 -10.726   8.021 -14.787
  127    HB2  GLU  19           1HB      GLU  19  -7.953   8.539 -15.900
  128    HB3  GLU  19           2HB      GLU  19  -8.461   6.912 -15.547
  129    HG2  GLU  19           1HG      GLU  19  -9.869   8.845 -17.440
  130    HG3  GLU  19           2HG      GLU  19  -8.744   7.577 -17.916
  131    H    LEU  20           H        LEU  20  -7.630   9.198 -13.609
  132    HA   LEU  20           HA       LEU  20  -6.990   7.093 -11.785
  133    HB2  LEU  20           1HB      LEU  20  -6.178  10.023 -11.674
  134    HB3  LEU  20           2HB      LEU  20  -5.300   8.699 -10.942
  135    HG   LEU  20           HG       LEU  20  -5.716   8.502 -13.927
  136   HD11  LEU  20          1HD1      LEU  20  -5.281  10.910 -13.467
  137   HD12  LEU  20          2HD1      LEU  20  -3.708  10.456 -12.778
  138   HD13  LEU  20          3HD1      LEU  20  -4.082  10.115 -14.496
  139   HD21  LEU  20          3HD2      LEU  20  -3.503   7.568 -13.894
  140   HD22  LEU  20          1HD2      LEU  20  -3.258   8.044 -12.199
  141   HD23  LEU  20          2HD2      LEU  20  -4.455   6.795 -12.618
  142    H    LYS  21           H        LYS  21  -8.533  10.253 -11.302
  143    HA   LYS  21           HA       LYS  21  -9.192   9.911  -8.505
  144    HB2  LYS  21           1HB      LYS  21 -10.115  11.713 -10.742
  145    HB3  LYS  21           2HB      LYS  21 -11.095  11.606  -9.288
  146    HG2  LYS  21           1HG      LYS  21  -9.502  13.491  -9.250
  147    HG3  LYS  21           2HG      LYS  21  -9.356  12.399  -7.873
  148    HD2  LYS  21           1HD      LYS  21  -7.313  11.430  -8.742
  149    HD3  LYS  21           2HD      LYS  21  -7.514  12.269 -10.288
  150    HE2  LYS  21           1HE      LYS  21  -7.322  14.461  -9.109
  151    HE3  LYS  21           2HE      LYS  21  -7.092  13.607  -7.577
  152    HZ1  LYS  21           3HZ      LYS  21  -4.975  14.264  -8.562
  153    HZ2  LYS  21           1HZ      LYS  21  -5.061  12.633  -8.503
  154    HZ3  LYS  21           2HZ      LYS  21  -5.281  13.418  -9.924
  155    H    ALA  22           H        ALA  22 -11.108   9.141 -11.481
  156    HA   ALA  22           HA       ALA  22 -13.415   8.252 -10.053
  157    HB1  ALA  22           1HB      ALA  22 -13.479   8.891 -12.412
  158    HB2  ALA  22           2HB      ALA  22 -12.435   7.515 -12.842
  159    HB3  ALA  22           3HB      ALA  22 -14.069   7.234 -12.209
  160    H    ALA  23           H        ALA  23 -10.520   6.410 -11.051
  161    HA   ALA  23           HA       ALA  23 -11.355   3.807 -10.383
  162    HB1  ALA  23           1HB      ALA  23  -9.205   4.437 -11.505
  163    HB2  ALA  23           2HB      ALA  23  -8.615   5.075  -9.944
  164    HB3  ALA  23           3HB      ALA  23  -8.958   3.348 -10.119
  165    H    SER  24           H        SER  24 -10.470   6.426  -8.196
  166    HA   SER  24           HA       SER  24 -10.552   4.629  -5.832
  167    HB2  SER  24           1HB      SER  24  -8.750   6.303  -6.051
  168    HB3  SER  24           2HB      SER  24  -9.958   7.600  -6.031
  169    HG   SER  24           HG       SER  24  -9.054   7.198  -3.937
  170    H    ARG  25           H        ARG  25 -12.155   7.616  -7.003
  171    HA   ARG  25           HA       ARG  25 -14.059   7.903  -5.008
  172    HB2  ARG  25           1HB      ARG  25 -13.229   9.466  -6.907
  173    HB3  ARG  25           2HB      ARG  25 -14.454   8.709  -7.907
  174    HG2  ARG  25           1HG      ARG  25 -15.272  10.789  -7.033
  175    HG3  ARG  25           2HG      ARG  25 -16.221   9.475  -6.360
  176    HD2  ARG  25           1HD      ARG  25 -15.726  11.175  -4.685
  177    HD3  ARG  25           2HD      ARG  25 -15.014   9.645  -4.223
  178    HE   ARG  25           HE       ARG  25 -12.898  10.562  -4.385
  179   HH11  ARG  25          1HH1      ARG  25 -15.110  12.858  -5.925
  180   HH12  ARG  25          2HH1      ARG  25 -13.884  14.083  -6.060
  181   HH21  ARG  25          1HH2      ARG  25 -11.371  12.179  -4.598
  182   HH22  ARG  25          2HH2      ARG  25 -11.801  13.701  -5.318
  183    H    GLY  26           H        GLY  26 -14.167   5.678  -7.690
  184    HA2  GLY  26           1HA      GLY  26 -16.957   5.253  -7.956
  185    HA3  GLY  26           2HA      GLY  26 -15.674   4.095  -8.380
  186    H    ASN  27           H        ASN  27 -14.871   4.155  -5.372
  187    HA   ASN  27           HA       ASN  27 -17.229   3.016  -4.058
  188    HB2  ASN  27           1HB      ASN  27 -16.392   1.078  -5.333
  189    HB3  ASN  27           2HB      ASN  27 -14.806   1.265  -4.584
  190   HD21  ASN  27          2HD2      ASN  27 -14.589  -0.458  -3.217
  191   HD22  ASN  27          1HD2      ASN  27 -15.692  -0.767  -1.876
  192    H    GLY  28           H        GLY  28 -13.759   3.911  -3.721
  193    HA2  GLY  28           1HA      GLY  28 -12.872   5.208  -2.023
  194    HA3  GLY  28           2HA      GLY  28 -14.379   5.056  -1.090
  195    H    GLU  29           H        GLU  29 -13.070   2.078  -2.088
  196    HA   GLU  29           HA       GLU  29 -12.093   1.261   0.573
  197    HB2  GLU  29           1HB      GLU  29 -13.162  -0.006  -1.760
  198    HB3  GLU  29           2HB      GLU  29 -11.536  -0.555  -1.585
  199    HG2  GLU  29           1HG      GLU  29 -12.954  -2.083  -0.346
  200    HG3  GLU  29           2HG      GLU  29 -12.059  -1.144   0.842
  201    H    TYR  30           H        TYR  30  -9.992  -0.232   0.245
  202    HA   TYR  30           HA       TYR  30  -7.920   0.650  -1.509
  203    HB2  TYR  30           1HB      TYR  30  -6.437   1.738   0.035
  204    HB3  TYR  30           2HB      TYR  30  -7.931   2.642  -0.021
  205    HD1  TYR  30           1HD      TYR  30  -9.718   2.069   1.822
  206    HD2  TYR  30           2HD      TYR  30  -5.559   0.985   2.087
  207    HE1  TYR  30           1HE      TYR  30  -9.934   1.846   4.308
  208    HE2  TYR  30           2HE      TYR  30  -5.773   0.709   4.558
  209    HH   TYR  30           HH       TYR  30  -8.861   1.330   6.282
  210    H    ALA  31           H        ALA  31  -6.066  -0.566  -1.364
  211    HA   ALA  31           HA       ALA  31  -5.623  -2.489   0.818
  212    HB1  ALA  31           1HB      ALA  31  -6.990  -3.887  -0.519
  213    HB2  ALA  31           2HB      ALA  31  -6.335  -3.261  -2.043
  214    HB3  ALA  31           3HB      ALA  31  -5.350  -4.322  -0.995
  215    H    TRP  32           H        TRP  32  -3.527  -3.131   0.983
  216    HA   TRP  32           HA       TRP  32  -1.509  -1.796  -0.776
  217    HB2  TRP  32           1HB      TRP  32  -1.475  -2.561   2.161
  218    HB3  TRP  32           2HB      TRP  32  -0.010  -2.278   1.240
  219    HD1  TRP  32           HD       TRP  32  -3.238  -0.251   1.982
  220    HE1  TRP  32           1HE      TRP  32  -2.613   2.229   2.160
  221    HE3  TRP  32           3HE      TRP  32   1.768  -0.629   0.972
  222    HZ2  TRP  32           2HZ      TRP  32  -0.137   3.803   2.211
  223    HZ3  TRP  32           3HZ      TRP  32   3.214   1.401   1.066
  224    HH2  TRP  32           HH       TRP  32   2.264   3.568   1.691
  225    H    TYR  33           H        TYR  33   0.186  -2.987  -1.548
  226    HA   TYR  33           HA       TYR  33   0.179  -5.940  -1.173
  227    HB2  TYR  33           1HB      TYR  33   0.077  -4.426  -3.800
  228    HB3  TYR  33           2HB      TYR  33   0.585  -6.095  -3.683
  229    HD1  TYR  33           2HD      TYR  33  -2.338  -3.819  -3.108
  230    HD2  TYR  33           1HD      TYR  33  -0.969  -7.865  -3.725
  231    HE1  TYR  33           2HE      TYR  33  -4.700  -4.578  -3.340
  232    HE2  TYR  33           1HE      TYR  33  -3.323  -8.622  -3.966
  233    HH   TYR  33           HH       TYR  33  -5.546  -8.008  -3.952
  234    H    TYR  34           H        TYR  34   2.134  -6.978  -1.532
  235    HA   TYR  34           HA       TYR  34   4.576  -5.319  -1.993
  236    HB2  TYR  34           1HB      TYR  34   5.660  -6.301  -0.098
  237    HB3  TYR  34           2HB      TYR  34   4.147  -5.598   0.437
  238    HD1  TYR  34           1HD      TYR  34   2.230  -7.080   1.113
  239    HD2  TYR  34           2HD      TYR  34   6.087  -8.685   0.047
  240    HE1  TYR  34           1HE      TYR  34   1.596  -9.253   2.121
  241    HE2  TYR  34           2HE      TYR  34   5.455 -10.870   1.044
  242    HH   TYR  34           HH       TYR  34   2.249 -11.421   2.567
  243    H    GLU  35           H        GLU  35   6.448  -6.534  -2.722
  244    HA   GLU  35           HA       GLU  35   5.814  -8.869  -4.359
  245    HB2  GLU  35           1HB      GLU  35   8.461  -7.499  -3.751
  246    HB3  GLU  35           2HB      GLU  35   8.241  -8.845  -4.877
  247    HG2  GLU  35           1HG      GLU  35   6.586  -7.422  -6.156
  248    HG3  GLU  35           2HG      GLU  35   7.053  -6.060  -5.131
  249    H    GLY  36           H        GLY  36   5.632 -10.846  -3.598
  250    HA2  GLY  36           1HA      GLY  36   7.423 -11.886  -1.415
  251    HA3  GLY  36           2HA      GLY  36   5.884 -12.595  -1.922
  252    H    ARG  37           H        ARG  37   7.190 -14.568  -2.039
  253    HA   ARG  37           HA       ARG  37   9.308 -14.971  -3.870
  254    HB2  ARG  37           1HB      ARG  37   8.657 -16.478  -1.963
  255    HB3  ARG  37           2HB      ARG  37   7.236 -16.974  -2.869
  256    HG2  ARG  37           1HG      ARG  37   8.829 -18.708  -3.151
  257    HG3  ARG  37           2HG      ARG  37   8.767 -17.860  -4.682
  258    HD2  ARG  37           1HD      ARG  37  11.039 -18.225  -4.358
  259    HD3  ARG  37           2HD      ARG  37  10.868 -16.553  -3.855
  260    HE   ARG  37           HE       ARG  37  11.301 -18.963  -2.156
  261   HH11  ARG  37          1HH1      ARG  37  11.058 -15.416  -2.142
  262   HH12  ARG  37          2HH1      ARG  37  11.598 -15.328  -0.477
  263   HH21  ARG  37          1HH2      ARG  37  12.100 -18.720  -0.092
  264   HH22  ARG  37          2HH2      ARG  37  12.299 -17.128   0.595
  265    H    ASN  38           H        ASN  38   5.815 -15.484  -4.332
  266    HA   ASN  38           HA       ASN  38   6.253 -16.304  -7.153
  267    HB2  ASN  38           1HB      ASN  38   3.929 -16.692  -5.244
  268    HB3  ASN  38           2HB      ASN  38   3.960 -17.273  -6.905
  269   HD21  ASN  38          2HD2      ASN  38   3.956 -18.662  -4.117
  270   HD22  ASN  38          1HD2      ASN  38   5.248 -19.837  -4.285
  271    H    GLY  39           H        GLY  39   5.250 -13.445  -5.637
  272    HA2  GLY  39           1HA      GLY  39   4.827 -11.841  -7.775
  273    HA3  GLY  39           2HA      GLY  39   3.260 -12.622  -7.653
  274    H    TRP  40           H        TRP  40   2.426 -10.462  -7.289
  275    HA   TRP  40           HA       TRP  40   3.008  -9.032  -4.829
  276    HB2  TRP  40           1HB      TRP  40   0.743  -8.750  -6.837
  277    HB3  TRP  40           2HB      TRP  40   1.101  -7.630  -5.531
  278    HD1  TRP  40           HD       TRP  40   2.198  -8.613  -8.998
  279    HE1  TRP  40           1HE      TRP  40   3.976  -7.003  -9.879
  280    HE3  TRP  40           3HE      TRP  40   3.093  -5.971  -4.699
  281    HZ2  TRP  40           2HZ      TRP  40   5.528  -4.774  -8.880
  282    HZ3  TRP  40           3HZ      TRP  40   4.732  -4.107  -4.703
  283    HH2  TRP  40           HH       TRP  40   5.941  -3.497  -6.779
  284    H    TRP  41           H        TRP  41   2.066  -9.248  -2.892
  285    HA   TRP  41           HA       TRP  41  -0.468 -10.815  -2.606
  286    HB2  TRP  41           1HB      TRP  41   2.028 -10.999  -0.879
  287    HB3  TRP  41           2HB      TRP  41   0.502 -11.830  -0.575
  288    HD1  TRP  41           HD       TRP  41   3.730 -12.500  -1.994
  289    HE1  TRP  41           1HE      TRP  41   3.742 -14.397  -3.727
  290    HE3  TRP  41           3HE      TRP  41  -1.311 -12.948  -2.730
  291    HZ2  TRP  41           2HZ      TRP  41   1.818 -15.742  -5.414
  292    HZ3  TRP  41           3HZ      TRP  41  -2.193 -14.478  -4.439
  293    HH2  TRP  41           HH       TRP  41  -0.648 -15.893  -5.800
  294    H    GLN  42           H        GLN  42  -1.858 -10.209  -0.967
  295    HA   GLN  42           HA       GLN  42  -1.758  -7.345  -0.381
  296    HB2  GLN  42           1HB      GLN  42  -3.763  -8.708  -1.256
  297    HB3  GLN  42           2HB      GLN  42  -3.926  -9.325   0.392
  298    HG2  GLN  42           1HG      GLN  42  -4.084  -6.908   1.174
  299    HG3  GLN  42           2HG      GLN  42  -4.085  -6.410  -0.516
  300   HE21  GLN  42          2HE2      GLN  42  -6.203  -6.142   1.653
  301   HE22  GLN  42          1HE2      GLN  42  -7.622  -6.887   0.937
  302    H    TYR  43           H        TYR  43  -1.640  -6.374   1.626
  303    HA   TYR  43           HA       TYR  43  -0.661  -7.839   3.955
  304    HB2  TYR  43           1HB      TYR  43  -1.582  -5.000   3.456
  305    HB3  TYR  43           2HB      TYR  43  -1.093  -5.551   5.049
  306    HD1  TYR  43           1HD      TYR  43   1.265  -6.241   5.505
  307    HD2  TYR  43           2HD      TYR  43   0.038  -4.560   1.748
  308    HE1  TYR  43           1HE      TYR  43   3.627  -5.666   4.988
  309    HE2  TYR  43           2HE      TYR  43   2.383  -3.944   1.224
  310    HH   TYR  43           HH       TYR  43   4.528  -4.071   1.899
  311    H    ASP  44           H        ASP  44  -1.680  -7.737   6.067
  312    HA   ASP  44           HA       ASP  44  -4.540  -8.421   6.107
  313    HB2  ASP  44           1HB      ASP  44  -2.868  -9.541   7.540
  314    HB3  ASP  44           2HB      ASP  44  -2.547  -8.018   8.374
  315    H    GLU  45           H        GLU  45  -6.121  -7.262   7.238
  316    HA   GLU  45           HA       GLU  45  -6.139  -4.454   6.700
  317    HB2  GLU  45           1HB      GLU  45  -8.359  -4.459   7.722
  318    HB3  GLU  45           2HB      GLU  45  -8.150  -5.761   6.552
  319    HG2  GLU  45           1HG      GLU  45  -7.854  -7.398   8.375
  320    HG3  GLU  45           2HG      GLU  45  -7.964  -6.108   9.570
  321    H    ARG  46           H        ARG  46  -5.132  -6.137   9.612
  322    HA   ARG  46           HA       ARG  46  -5.254  -3.835  11.412
  323    HB2  ARG  46           1HB      ARG  46  -3.650  -6.434  11.411
  324    HB3  ARG  46           2HB      ARG  46  -3.354  -5.151  12.570
  325    HG2  ARG  46           1HG      ARG  46  -4.756  -6.606  13.670
  326    HG3  ARG  46           2HG      ARG  46  -5.726  -5.185  13.250
  327    HD2  ARG  46           1HD      ARG  46  -6.716  -6.523  11.341
  328    HD3  ARG  46           2HD      ARG  46  -5.777  -7.908  11.895
  329    HE   ARG  46           HE       ARG  46  -7.201  -8.213  13.689
  330   HH11  ARG  46          1HH1      ARG  46  -8.090  -5.150  12.150
  331   HH12  ARG  46          2HH1      ARG  46  -9.592  -5.050  13.015
  332   HH21  ARG  46          1HH2      ARG  46  -9.141  -8.007  14.783
  333   HH22  ARG  46          2HH2      ARG  46 -10.167  -6.635  14.499
  334    H    THR  47           H        THR  47  -2.890  -5.227   9.269
  335    HA   THR  47           HA       THR  47  -0.764  -3.338   9.853
  336    HB   THR  47           HB       THR  47  -0.966  -5.452   7.672
  337    HG1  THR  47           1HG      THR  47   0.310  -6.577   9.230
  338   HG21  THR  47          3HG2      THR  47   1.564  -5.281   7.796
  339   HG22  THR  47          1HG2      THR  47   0.762  -3.879   7.062
  340   HG23  THR  47          2HG2      THR  47   1.343  -3.773   8.731
  341    H    SER  48           H        SER  48  -2.786  -3.815   6.879
  342    HA   SER  48           HA       SER  48  -1.409  -1.860   5.361
  343    HB2  SER  48           1HB      SER  48  -3.294  -1.953   3.833
  344    HB3  SER  48           2HB      SER  48  -2.845  -3.574   4.384
  345    HG   SER  48           HG       SER  48  -5.134  -3.243   4.423
  346    H    ARG  49           H        ARG  49  -4.124  -1.425   7.601
  347    HA   ARG  49           HA       ARG  49  -4.726   1.248   6.842
  348    HB2  ARG  49           1HB      ARG  49  -6.064   1.392   8.747
  349    HB3  ARG  49           2HB      ARG  49  -6.144  -0.271   8.201
  350    HG2  ARG  49           1HG      ARG  49  -5.965  -0.540  10.482
  351    HG3  ARG  49           2HG      ARG  49  -4.328  -0.795   9.930
  352    HD2  ARG  49           1HD      ARG  49  -4.547   0.521  12.066
  353    HD3  ARG  49           2HD      ARG  49  -3.601   1.298  10.823
  354    HE   ARG  49           HE       ARG  49  -6.448   2.058  10.975
  355   HH11  ARG  49          1HH1      ARG  49  -3.152   2.972  11.982
  356   HH12  ARG  49          2HH1      ARG  49  -3.538   4.686  11.875
  357   HH21  ARG  49          1HH2      ARG  49  -6.852   4.289  11.042
  358   HH22  ARG  49          2HH2      ARG  49  -5.572   5.376  11.508
  359    H    GLU  50           H        GLU  50  -2.040  -0.021   8.769
  360    HA   GLU  50           HA       GLU  50  -1.420   2.527  10.061
  361    HB2  GLU  50           1HB      GLU  50   0.385   0.136   9.495
  362    HB3  GLU  50           2HB      GLU  50   0.771   1.474  10.562
  363    HG2  GLU  50           1HG      GLU  50  -1.632  -0.339  11.037
  364    HG3  GLU  50           2HG      GLU  50  -0.023  -0.694  11.644
  365    H    LEU  51           H        LEU  51  -0.507   0.897   7.085
  366    HA   LEU  51           HA       LEU  51   1.534   2.734   6.199
  367    HB2  LEU  51           1HB      LEU  51  -0.149   0.854   4.502
  368    HB3  LEU  51           2HB      LEU  51   1.494   1.406   4.200
  369    HG   LEU  51           HG       LEU  51   0.625  -0.526   6.397
  370   HD11  LEU  51          1HD1      LEU  51   0.464  -1.471   4.143
  371   HD12  LEU  51          2HD1      LEU  51   2.170  -1.060   3.844
  372   HD13  LEU  51          3HD1      LEU  51   1.730  -2.241   5.106
  373   HD21  LEU  51          3HD2      LEU  51   3.057  -0.890   6.738
  374   HD22  LEU  51          1HD2      LEU  51   3.389   0.441   5.606
  375   HD23  LEU  51          2HD2      LEU  51   2.574   0.755   7.149
  376    H    GLU  52           H        GLU  52  -1.906   2.279   5.426
  377    HA   GLU  52           HA       GLU  52  -2.267   4.453   3.665
  378    HB2  GLU  52           1HB      GLU  52  -3.805   2.456   4.171
  379    HB3  GLU  52           2HB      GLU  52  -4.293   3.314   5.624
  380    HG2  GLU  52           1HG      GLU  52  -5.967   3.741   4.023
  381    HG3  GLU  52           2HG      GLU  52  -5.061   5.234   4.149
  382    H    ASP  53           H        ASP  53  -2.242   4.405   7.234
  383    HA   ASP  53           HA       ASP  53  -3.453   7.046   7.511
  384    HB2  ASP  53           1HB      ASP  53  -3.603   5.053   9.082
  385    HB3  ASP  53           2HB      ASP  53  -1.958   5.387   9.581
  386    H    ALA  54           H        ALA  54  -0.245   5.671   7.570
  387    HA   ALA  54           HA       ALA  54   1.256   7.763   8.693
  388    HB1  ALA  54           1HB      ALA  54   2.143   5.576   8.378
  389    HB2  ALA  54           2HB      ALA  54   1.957   5.670   6.614
  390    HB3  ALA  54           3HB      ALA  54   3.168   6.689   7.438
  391    H    PHE  55           H        PHE  55   0.603   7.376   5.142
  392    HA   PHE  55           HA       PHE  55   1.912   9.886   4.523
  393    HB2  PHE  55           1HB      PHE  55   1.216   9.601   2.320
  394    HB3  PHE  55           2HB      PHE  55   1.629   8.014   2.917
  395    HD1  PHE  55           2HD      PHE  55  -1.241  10.263   2.140
  396    HD2  PHE  55           1HD      PHE  55   0.065   6.201   2.749
  397    HE1  PHE  55           2HE      PHE  55  -3.376   9.433   1.170
  398    HE2  PHE  55           1HE      PHE  55  -2.031   5.381   1.707
  399    HZ   PHE  55           HZ       PHE  55  -3.763   6.983   0.942
  400    H    SER  56           H        SER  56  -1.183   9.099   5.723
  401    HA   SER  56           HA       SER  56  -2.484  11.660   5.042
  402    HB2  SER  56           1HB      SER  56  -3.557   9.299   5.410
  403    HB3  SER  56           2HB      SER  56  -3.462   9.706   7.124
  404    HG   SER  56           HG       SER  56  -5.472  10.356   6.166
  405    H    LYS  57           H        LYS  57  -0.704  10.298   7.804
  406    HA   LYS  57           HA       LYS  57  -1.278  12.450   9.676
  407    HB2  LYS  57           1HB      LYS  57   0.763  10.214   9.507
  408    HB3  LYS  57           2HB      LYS  57   0.782  11.398  10.816
  409    HG2  LYS  57           1HG      LYS  57  -1.218  10.651  11.756
  410    HG3  LYS  57           2HG      LYS  57  -1.792   9.918  10.257
  411    HD2  LYS  57           1HD      LYS  57  -1.113   8.184  11.887
  412    HD3  LYS  57           2HD      LYS  57  -0.188   8.131  10.401
  413    HE2  LYS  57           1HE      LYS  57   1.532   7.878  11.877
  414    HE3  LYS  57           2HE      LYS  57   1.563   9.623  11.705
  415    HZ1  LYS  57           3HZ      LYS  57   1.611   9.013  14.051
  416    HZ2  LYS  57           1HZ      LYS  57   0.214   9.799  13.741
  417    HZ3  LYS  57           2HZ      LYS  57   0.215   8.175  13.923
  418    H    GLY  58           H        GLY  58   1.482  11.666   7.540
  419    HA2  GLY  58           1HA      GLY  58   2.425  13.666   6.330
  420    HA3  GLY  58           2HA      GLY  58   2.601  14.435   7.920
  421    H    LYS  59           H        LYS  59   3.307  11.256   8.574
  422    HA   LYS  59           HA       LYS  59   6.175  11.652   8.457
  423    HB2  LYS  59           1HB      LYS  59   6.248   9.226   9.157
  424    HB3  LYS  59           2HB      LYS  59   5.427  10.322  10.255
  425    HG2  LYS  59           1HG      LYS  59   3.261   9.537   9.638
  426    HG3  LYS  59           2HG      LYS  59   3.903   8.712   8.210
  427    HD2  LYS  59           1HD      LYS  59   3.309   7.146  10.033
  428    HD3  LYS  59           2HD      LYS  59   4.986   7.054   9.545
  429    HE2  LYS  59           1HE      LYS  59   5.647   8.437  11.516
  430    HE3  LYS  59           2HE      LYS  59   3.959   8.478  12.036
  431    HZ1  LYS  59           3HZ      LYS  59   5.159   6.718  13.173
  432    HZ2  LYS  59           1HZ      LYS  59   4.069   6.009  12.179
  433    HZ3  LYS  59           2HZ      LYS  59   5.645   6.046  11.769
  434    H    LYS  60           H        LYS  60   7.693  10.481   7.300
  435    HA   LYS  60           HA       LYS  60   6.879   9.871   4.501
  436    HB2  LYS  60           1HB      LYS  60   9.031  10.481   3.843
  437    HB3  LYS  60           2HB      LYS  60   8.549  11.666   5.048
  438    HG2  LYS  60           1HG      LYS  60   9.954  10.436   6.735
  439    HG3  LYS  60           2HG      LYS  60  10.493   9.359   5.427
  440    HD2  LYS  60           1HD      LYS  60  11.389  11.306   4.186
  441    HD3  LYS  60           2HD      LYS  60  10.867  12.383   5.500
  442    HE2  LYS  60           1HE      LYS  60  12.330  11.143   7.089
  443    HE3  LYS  60           2HE      LYS  60  12.854  10.077   5.779
  444    HZ1  LYS  60           3HZ      LYS  60  14.441  11.869   6.152
  445    HZ2  LYS  60           1HZ      LYS  60  13.794  12.027   4.661
  446    HZ3  LYS  60           2HZ      LYS  60  13.308  13.010   5.875
  447    H    ASN  61           H        ASN  61   7.356   8.104   7.223
  448    HA   ASN  61           HA       ASN  61   7.429   5.627   5.880
  449    HB2  ASN  61           1HB      ASN  61   9.525   4.669   6.682
  450    HB3  ASN  61           2HB      ASN  61   9.880   6.061   5.673
  451   HD21  ASN  61          2HD2      ASN  61  10.342   8.105   6.788
  452   HD22  ASN  61          1HD2      ASN  61  11.143   8.078   8.350
  453    H    THR  62           H        THR  62   7.097   3.872   7.308
  454    HA   THR  62           HA       THR  62   6.541   4.438  10.162
  455    HB   THR  62           HB       THR  62   4.507   5.041   8.820
  456    HG1  THR  62           1HG      THR  62   3.226   3.907  10.416
  457   HG21  THR  62          3HG2      THR  62   2.974   3.195   8.238
  458   HG22  THR  62          1HG2      THR  62   4.421   3.175   7.223
  459   HG23  THR  62          2HG2      THR  62   4.250   2.004   8.554
  460    H    GLU  63           H        GLU  63   5.512   2.245  11.109
  461    HA   GLU  63           HA       GLU  63   7.409   0.060  10.349
  462    HB2  GLU  63           1HB      GLU  63   6.894   1.374  13.041
  463    HB3  GLU  63           2HB      GLU  63   7.633  -0.222  12.876
  464    HG2  GLU  63           1HG      GLU  63   9.404   0.701  11.469
  465    HG3  GLU  63           2HG      GLU  63   8.717   2.320  11.593
  466    H    MET  64           H        MET  64   6.791  -1.983  10.697
  467    HA   MET  64           HA       MET  64   4.174  -2.666  11.875
  468    HB2  MET  64           1HB      MET  64   3.480  -3.814   9.760
  469    HB3  MET  64           2HB      MET  64   3.473  -2.050   9.654
  470    HG2  MET  64           1HG      MET  64   5.520  -2.023   8.389
  471    HG3  MET  64           2HG      MET  64   5.856  -3.706   8.775
  472    HE1  MET  64           3HE      MET  64   5.693  -4.386   5.214
  473    HE2  MET  64           1HE      MET  64   6.640  -3.545   6.467
  474    HE3  MET  64           2HE      MET  64   6.029  -5.186   6.762
  475    H    LEU  65           H        LEU  65   3.838  -4.840  12.211
  476    HA   LEU  65           HA       LEU  65   6.255  -6.554  12.261
  477    HB2  LEU  65           1HB      LEU  65   4.506  -5.804  14.319
  478    HB3  LEU  65           2HB      LEU  65   3.844  -7.342  13.829
  479    HG   LEU  65           HG       LEU  65   5.333  -7.608  15.674
  480   HD11  LEU  65          1HD1      LEU  65   5.339  -9.460  14.070
  481   HD12  LEU  65          2HD1      LEU  65   6.761  -8.756  13.267
  482   HD13  LEU  65          3HD1      LEU  65   6.874  -9.311  14.941
  483   HD21  LEU  65          3HD2      LEU  65   7.677  -6.989  15.666
  484   HD22  LEU  65          1HD2      LEU  65   7.567  -6.441  13.980
  485   HD23  LEU  65          2HD2      LEU  65   6.681  -5.575  15.250
  486    H    ILE  66           H        ILE  66   6.208  -8.507  11.429
  487    HA   ILE  66           HA       ILE  66   3.819  -9.396   9.805
  488    HB   ILE  66           HB       ILE  66   5.205 -10.210   8.111
  489   HG12  ILE  66          1HG1      ILE  66   7.763  -8.998   8.785
  490   HG13  ILE  66          2HG1      ILE  66   7.333 -10.120  10.047
  491   HG21  ILE  66          1HG2      ILE  66   4.409  -7.851   8.104
  492   HG22  ILE  66          2HG2      ILE  66   5.981  -7.335   8.738
  493   HG23  ILE  66          3HG2      ILE  66   5.870  -8.127   7.149
  494   HD11  ILE  66          3HD1      ILE  66   8.668 -11.084   8.096
  495   HD12  ILE  66          1HD1      ILE  66   7.232 -11.987   8.575
  496   HD13  ILE  66          2HD1      ILE  66   7.179 -10.959   7.140
  497    H    ALA  67           H        ALA  67   5.187 -11.920   9.094
  498    HA   ALA  67           HA       ALA  67   4.178 -13.628  11.083
  499    HB1  ALA  67           1HB      ALA  67   4.576 -14.169   8.671
  500    HB2  ALA  67           2HB      ALA  67   6.334 -14.124   8.971
  501    HB3  ALA  67           3HB      ALA  67   5.331 -15.362   9.751
  502    H    GLY  68           H        GLY  68   7.205 -11.949  11.184
  503    HA2  GLY  68           1HA      GLY  68   7.846 -12.912  13.789
  504    HA3  GLY  68           2HA      GLY  68   8.833 -13.777  12.632
  505    H    PHE  69           H        PHE  69   8.162 -10.467  11.739
  506    HA   PHE  69           HA       PHE  69  10.780  -9.487  12.709
  507    HB2  PHE  69           1HB      PHE  69  10.071  -9.794   9.757
  508    HB3  PHE  69           2HB      PHE  69  11.482  -8.964  10.379
  509    HD1  PHE  69           2HD      PHE  69  13.304 -10.241  11.557
  510    HD2  PHE  69           1HD      PHE  69  10.042 -12.226   9.545
  511    HE1  PHE  69           2HE      PHE  69  14.596 -12.362  11.539
  512    HE2  PHE  69           1HE      PHE  69  11.344 -14.333   9.513
  513    HZ   PHE  69           HZ       PHE  69  13.621 -14.408  10.513
  514    H    LEU  70           H        LEU  70  11.082  -7.271  12.537
  515    HA   LEU  70           HA       LEU  70   8.697  -5.576  12.034
  516    HB2  LEU  70           1HB      LEU  70  10.250  -5.400  14.113
  517    HB3  LEU  70           2HB      LEU  70  11.447  -4.754  13.006
  518    HG   LEU  70           HG       LEU  70  10.472  -2.961  14.186
  519   HD11  LEU  70          1HD1      LEU  70  10.802  -2.594  11.675
  520   HD12  LEU  70          2HD1      LEU  70   9.028  -2.719  11.543
  521   HD13  LEU  70          3HD1      LEU  70   9.755  -1.457  12.534
  522   HD21  LEU  70          3HD2      LEU  70   8.049  -2.409  14.129
  523   HD22  LEU  70          1HD2      LEU  70   7.733  -3.972  13.347
  524   HD23  LEU  70          2HD2      LEU  70   8.419  -3.921  14.981
  525    H    TYR  71           H        TYR  71   8.464  -4.620  10.162
  526    HA   TYR  71           HA       TYR  71  10.818  -4.062   8.399
  527    HB2  TYR  71           1HB      TYR  71   8.042  -4.813   7.595
  528    HB3  TYR  71           2HB      TYR  71   9.263  -4.211   6.474
  529    HD1  TYR  71           1HD      TYR  71  11.678  -5.852   7.564
  530    HD2  TYR  71           2HD      TYR  71   7.613  -6.902   6.593
  531    HE1  TYR  71           1HE      TYR  71  12.370  -8.196   7.185
  532    HE2  TYR  71           2HE      TYR  71   8.266  -9.239   6.330
  533    HH   TYR  71           HH       TYR  71  11.695 -10.326   6.645
  534    H    VAL  72           H        VAL  72  11.134  -2.110   7.713
  535    HA   VAL  72           HA       VAL  72   9.444   0.096   8.722
  536    HB   VAL  72           HB       VAL  72  12.164   0.218   7.377
  537   HG11  VAL  72          1HG1      VAL  72  10.898   2.352   7.220
  538   HG12  VAL  72          2HG1      VAL  72  10.609   2.308   8.974
  539   HG13  VAL  72          3HG1      VAL  72  12.256   2.503   8.343
  540   HG21  VAL  72          3HG2      VAL  72  13.068   0.634   9.647
  541   HG22  VAL  72          1HG2      VAL  72  11.475   0.266  10.340
  542   HG23  VAL  72          2HG2      VAL  72  12.398  -0.990   9.484
  543    H    ALA  73           H        ALA  73   7.849   0.625   7.434
  544    HA   ALA  73           HA       ALA  73   7.833   0.252   4.532
  545    HB1  ALA  73           1HB      ALA  73   5.893  -0.253   6.052
  546    HB2  ALA  73           2HB      ALA  73   5.778   1.465   6.428
  547    HB3  ALA  73           3HB      ALA  73   5.505   0.916   4.759
  548    H    ASP  74           H        ASP  74   9.204   1.655   3.547
  549    HA   ASP  74           HA       ASP  74   9.172   4.539   4.152
  550    HB2  ASP  74           1HB      ASP  74  11.296   3.402   3.745
  551    HB3  ASP  74           2HB      ASP  74  10.744   2.887   2.149
  552    H    LEU  75           H        LEU  75   7.592   5.739   3.378
  553    HA   LEU  75           HA       LEU  75   5.945   5.085   1.097
  554    HB2  LEU  75           1HB      LEU  75   6.268   7.458   2.974
  555    HB3  LEU  75           2HB      LEU  75   5.224   7.576   1.588
  556    HG   LEU  75           HG       LEU  75   4.812   5.285   3.549
  557   HD11  LEU  75          1HD1      LEU  75   4.780   7.271   4.966
  558   HD12  LEU  75          2HD1      LEU  75   3.764   8.143   3.801
  559   HD13  LEU  75          3HD1      LEU  75   3.113   6.745   4.678
  560   HD21  LEU  75          3HD2      LEU  75   2.502   5.520   2.694
  561   HD22  LEU  75          1HD2      LEU  75   3.044   6.802   1.592
  562   HD23  LEU  75          2HD2      LEU  75   3.689   5.159   1.415
  563    H    GLU  76           H        GLU  76   8.896   6.951   1.468
  564    HA   GLU  76           HA       GLU  76   8.542   8.724  -0.740
  565    HB2  GLU  76           1HB      GLU  76  11.069   7.720   0.636
  566    HB3  GLU  76           2HB      GLU  76  11.026   9.019  -0.541
  567    HG2  GLU  76           1HG      GLU  76   9.528   9.019   2.114
  568    HG3  GLU  76           2HG      GLU  76  11.089   9.777   1.855
  569    H    ASN  77           H        ASN  77  10.402   5.673  -0.508
  570    HA   ASN  77           HA       ASN  77  10.733   5.572  -3.465
  571    HB2  ASN  77           1HB      ASN  77  11.977   3.899  -1.246
  572    HB3  ASN  77           2HB      ASN  77  12.394   3.836  -2.955
  573   HD21  ASN  77          2HD2      ASN  77  12.600   5.797   0.003
  574   HD22  ASN  77          1HD2      ASN  77  13.899   6.837  -0.592
  575    H    MET  78           H        MET  78   8.572   4.495  -1.187
  576    HA   MET  78           HA       MET  78   7.002   2.848  -0.953
  577    HB2  MET  78           1HB      MET  78   7.322   2.515  -3.957
  578    HB3  MET  78           2HB      MET  78   6.044   1.804  -2.983
  579    HG2  MET  78           1HG      MET  78   6.273   4.739  -2.631
  580    HG3  MET  78           2HG      MET  78   5.952   4.233  -4.277
  581    HE1  MET  78           3HE      MET  78   3.147   3.545  -0.678
  582    HE2  MET  78           1HE      MET  78   4.707   2.707  -0.773
  583    HE3  MET  78           2HE      MET  78   4.651   4.486  -0.662
  584    H    VAL  79           H        VAL  79   8.968   1.885   0.244
  585    HA   VAL  79           HA       VAL  79   9.234  -0.914  -0.691
  586    HB   VAL  79           HB       VAL  79  11.645  -1.066  -0.295
  587   HG11  VAL  79          1HG1      VAL  79  10.860  -0.719  -2.603
  588   HG12  VAL  79          2HG1      VAL  79  11.069   1.037  -2.402
  589   HG13  VAL  79          3HG1      VAL  79  12.470  -0.048  -2.317
  590   HG21  VAL  79          3HG2      VAL  79  13.068   0.938  -0.147
  591   HG22  VAL  79          1HG2      VAL  79  11.623   1.960  -0.007
  592   HG23  VAL  79          2HG2      VAL  79  12.016   0.770   1.255
  593    H    GLN  80           H        GLN  80   9.775  -2.471   0.792
  594    HA   GLN  80           HA       GLN  80   9.729  -1.734   3.685
  595    HB2  GLN  80           1HB      GLN  80   9.276  -4.374   2.204
  596    HB3  GLN  80           2HB      GLN  80   9.221  -4.182   3.960
  597    HG2  GLN  80           1HG      GLN  80   7.377  -2.849   1.960
  598    HG3  GLN  80           2HG      GLN  80   6.990  -4.264   2.935
  599   HE21  GLN  80          2HE2      GLN  80   5.203  -2.273   3.220
  600   HE22  GLN  80          1HE2      GLN  80   5.490  -1.420   4.723
  601    H    TYR  81           H        TYR  81  11.416  -2.199   4.965
  602    HA   TYR  81           HA       TYR  81  13.325  -4.291   4.275
  603    HB2  TYR  81           1HB      TYR  81  15.311  -2.782   4.695
  604    HB3  TYR  81           2HB      TYR  81  14.503  -2.652   3.155
  605    HD1  TYR  81           2HD      TYR  81  14.530  -0.965   6.548
  606    HD2  TYR  81           1HD      TYR  81  13.999  -0.575   2.285
  607    HE1  TYR  81           2HE      TYR  81  14.423   1.497   6.789
  608    HE2  TYR  81           1HE      TYR  81  13.907   1.883   2.507
  609    HH   TYR  81           HH       TYR  81  14.201   3.523   5.704
  610    H    ARG  82           H        ARG  82  14.709  -4.909   6.033
  611    HA   ARG  82           HA       ARG  82  13.408  -4.737   8.646
  612    HB2  ARG  82           1HB      ARG  82  14.371  -6.819   7.765
  613    HB3  ARG  82           2HB      ARG  82  15.975  -6.081   7.700
  614    HG2  ARG  82           1HG      ARG  82  16.024  -5.878  10.137
  615    HG3  ARG  82           2HG      ARG  82  14.358  -6.482  10.261
  616    HD2  ARG  82           1HD      ARG  82  15.011  -8.660   9.452
  617    HD3  ARG  82           2HD      ARG  82  16.632  -8.077   9.014
  618    HE   ARG  82           HE       ARG  82  16.416  -7.531  11.720
  619   HH11  ARG  82          1HH1      ARG  82  16.402 -10.494   9.780
  620   HH12  ARG  82          2HH1      ARG  82  17.123 -11.428  11.057
  621   HH21  ARG  82          1HH2      ARG  82  17.266  -8.786  13.318
  622   HH22  ARG  82          2HH2      ARG  82  17.583 -10.476  13.054
  623    H    ARG  83           H        ARG  83  14.155  -3.678  10.486
  624    HA   ARG  83           HA       ARG  83  15.441  -1.206  10.275
  625    HB2  ARG  83           1HB      ARG  83  15.121  -3.071  12.654
  626    HB3  ARG  83           2HB      ARG  83  15.827  -1.457  12.789
  627    HG2  ARG  83           1HG      ARG  83  13.770  -0.413  11.953
  628    HG3  ARG  83           2HG      ARG  83  13.041  -2.003  11.700
  629    HD2  ARG  83           1HD      ARG  83  12.222  -0.994  13.794
  630    HD3  ARG  83           2HD      ARG  83  13.087  -2.493  14.083
  631    HE   ARG  83           HE       ARG  83  14.867  -1.345  15.086
  632   HH11  ARG  83          1HH1      ARG  83  12.320   1.005  14.236
  633   HH12  ARG  83          2HH1      ARG  83  13.159   2.286  15.061
  634   HH21  ARG  83          1HH2      ARG  83  15.809   0.350  16.169
  635   HH22  ARG  83          2HH2      ARG  83  15.054   1.913  16.176
  636    H    ASN  84           H        ASN  84  17.045  -4.328  10.712
  637    HA   ASN  84           HA       ASN  84  19.558  -3.316  11.610
  638    HB2  ASN  84           1HB      ASN  84  18.830  -5.946  10.259
  639    HB3  ASN  84           2HB      ASN  84  20.373  -5.604  11.035
  640   HD21  ASN  84          2HD2      ASN  84  20.478  -5.456  13.373
  641   HD22  ASN  84          1HD2      ASN  84  19.133  -6.005  14.355
  642    H    GLU  85           H        GLU  85  18.273  -3.495   8.314
  643    HA   GLU  85           HA       GLU  85  20.429  -1.913   7.337
  644    HB2  GLU  85           1HB      GLU  85  21.317  -3.384   5.593
  645    HB3  GLU  85           2HB      GLU  85  21.744  -3.915   7.208
  646    HG2  GLU  85           1HG      GLU  85  19.941  -5.658   7.091
  647    HG3  GLU  85           2HG      GLU  85  19.603  -5.157   5.430
  648    H    HIS  86           H        HIS  86  19.676  -0.624   5.804
  649    HA   HIS  86           HA       HIS  86  16.999  -0.999   4.730
  650    HB2  HIS  86           1HB      HIS  86  17.346   1.249   3.865
  651    HB3  HIS  86           2HB      HIS  86  17.819   1.147   5.564
  652    HD2  HIS  86           2HD      HIS  86  19.253   1.737   2.060
  653    HE1  HIS  86           1HE      HIS  86  22.504   2.261   4.760
  654    HE2  HIS  86           2HE      HIS  86  21.756   2.508   2.336
  655    H    GLY  87           H        GLY  87  20.098  -1.793   3.611
  656    HA2  GLY  87           1HA      GLY  87  20.046  -1.318   0.835
  657    HA3  GLY  87           2HA      GLY  87  21.001  -2.593   1.619
  658    H    ARG  88           H        ARG  88  19.530  -4.580   2.298
  659    HA   ARG  88           HA       ARG  88  18.079  -5.573  -0.021
  660    HB2  ARG  88           1HB      ARG  88  18.635  -6.589   2.768
  661    HB3  ARG  88           2HB      ARG  88  17.267  -7.265   1.910
  662    HG2  ARG  88           1HG      ARG  88  20.153  -7.312   0.957
  663    HG3  ARG  88           2HG      ARG  88  19.228  -8.659   1.613
  664    HD2  ARG  88           1HD      ARG  88  18.918  -7.306  -1.076
  665    HD3  ARG  88           2HD      ARG  88  19.290  -8.988  -0.732
  666    HE   ARG  88           HE       ARG  88  16.973  -9.277   0.129
  667   HH11  ARG  88          1HH1      ARG  88  17.494  -6.732  -2.310
  668   HH12  ARG  88          2HH1      ARG  88  15.777  -6.493  -2.514
  669   HH21  ARG  88          1HH2      ARG  88  14.817  -8.896  -0.211
  670   HH22  ARG  88          2HH2      ARG  88  14.317  -7.718  -1.417
  671    H    ARG  89           H        ARG  89  16.147  -5.027  -0.602
  672    HA   ARG  89           HA       ARG  89  14.014  -4.345   1.285
  673    HB2  ARG  89           1HB      ARG  89  13.647  -2.121   0.441
  674    HB3  ARG  89           2HB      ARG  89  15.298  -2.267   1.011
  675    HG2  ARG  89           1HG      ARG  89  15.908  -2.726  -1.494
  676    HG3  ARG  89           2HG      ARG  89  14.291  -2.069  -1.832
  677    HD2  ARG  89           1HD      ARG  89  14.909   0.000  -0.599
  678    HD3  ARG  89           2HD      ARG  89  16.508  -0.644  -0.295
  679    HE   ARG  89           HE       ARG  89  15.473   0.502  -2.770
  680   HH11  ARG  89          1HH1      ARG  89  18.036  -1.660  -1.566
  681   HH12  ARG  89          2HH1      ARG  89  19.049  -1.321  -2.935
  682   HH21  ARG  89          1HH2      ARG  89  16.839   0.848  -4.493
  683   HH22  ARG  89          2HH2      ARG  89  18.383   0.057  -4.563
  684    H    ARG  90           H        ARG  90  11.944  -3.947   0.231
  685    HA   ARG  90           HA       ARG  90  11.565  -5.409  -2.371
  686    HB2  ARG  90           1HB      ARG  90  10.016  -5.762   0.238
  687    HB3  ARG  90           2HB      ARG  90   9.586  -6.491  -1.317
  688    HG2  ARG  90           1HG      ARG  90  11.728  -7.732  -1.342
  689    HG3  ARG  90           2HG      ARG  90  12.162  -7.025   0.230
  690    HD2  ARG  90           1HD      ARG  90  10.179  -8.044   1.271
  691    HD3  ARG  90           2HD      ARG  90   9.703  -8.724  -0.296
  692    HE   ARG  90           HE       ARG  90  12.401  -9.400   0.805
  693   HH11  ARG  90          1HH1      ARG  90   9.180 -10.672  -0.060
  694   HH12  ARG  90          2HH1      ARG  90   9.764 -12.312   0.147
  695   HH21  ARG  90          1HH2      ARG  90  12.999 -11.320   0.953
  696   HH22  ARG  90          2HH2      ARG  90  11.925 -12.712   0.748
  697    H    LYS  91           H        LYS  91  10.303  -4.323  -3.782
  698    HA   LYS  91           HA       LYS  91   9.085  -1.815  -3.176
  699    HB2  LYS  91           1HB      LYS  91   9.689  -3.447  -5.477
  700    HB3  LYS  91           2HB      LYS  91   8.005  -3.010  -5.583
  701    HG2  LYS  91           1HG      LYS  91  10.207  -0.974  -5.054
  702    HG3  LYS  91           2HG      LYS  91   9.768  -1.487  -6.672
  703    HD2  LYS  91           1HD      LYS  91   7.779  -0.253  -4.726
  704    HD3  LYS  91           2HD      LYS  91   8.709   0.683  -5.892
  705    HE2  LYS  91           1HE      LYS  91   7.657  -0.471  -7.756
  706    HE3  LYS  91           2HE      LYS  91   6.863  -1.614  -6.666
  707    HZ1  LYS  91           3HZ      LYS  91   5.349   0.147  -7.355
  708    HZ2  LYS  91           1HZ      LYS  91   5.580   0.203  -5.733
  709    HZ3  LYS  91           2HZ      LYS  91   6.317   1.299  -6.715
  710    H    ILE  92           H        ILE  92   7.031  -1.146  -2.969
  711    HA   ILE  92           HA       ILE  92   4.811  -3.139  -2.739
  712    HB   ILE  92           HB       ILE  92   3.958  -2.109  -0.753
  713   HG12  ILE  92          1HG1      ILE  92   6.150  -0.089  -1.131
  714   HG13  ILE  92          2HG1      ILE  92   4.423   0.143  -0.927
  715   HG21  ILE  92          1HG2      ILE  92   5.710  -3.911  -0.624
  716   HG22  ILE  92          2HG2      ILE  92   6.897  -2.644  -0.266
  717   HG23  ILE  92          3HG2      ILE  92   5.506  -2.918   0.815
  718   HD11  ILE  92          3HD1      ILE  92   5.615   0.881   1.061
  719   HD12  ILE  92          1HD1      ILE  92   4.674  -0.571   1.475
  720   HD13  ILE  92          2HD1      ILE  92   6.437  -0.676   1.221
  721    H    LYS  93           H        LYS  93   2.658  -2.033  -2.658
  722    HA   LYS  93           HA       LYS  93   2.428   0.509  -4.084
  723    HB2  LYS  93           1HB      LYS  93   1.255  -0.387  -6.021
  724    HB3  LYS  93           2HB      LYS  93   2.870  -1.081  -5.938
  725    HG2  LYS  93           1HG      LYS  93   1.995  -3.193  -5.073
  726    HG3  LYS  93           2HG      LYS  93   0.372  -2.494  -4.907
  727    HD2  LYS  93           1HD      LYS  93   0.196  -2.181  -7.313
  728    HD3  LYS  93           2HD      LYS  93   1.812  -2.880  -7.561
  729    HE2  LYS  93           1HE      LYS  93   1.118  -5.041  -7.060
  730    HE3  LYS  93           2HE      LYS  93  -0.143  -4.490  -5.945
  731    HZ1  LYS  93           3HZ      LYS  93  -1.076  -5.407  -7.995
  732    HZ2  LYS  93           1HZ      LYS  93  -1.509  -3.848  -7.749
  733    HZ3  LYS  93           2HZ      LYS  93  -0.367  -4.222  -8.881
  734    H    ARG  94           H        ARG  94   0.156   1.108  -4.496
  735    HA   ARG  94           HA       ARG  94  -1.797  -0.036  -2.537
  736    HB2  ARG  94           1HB      ARG  94  -1.525   2.786  -3.638
  737    HB3  ARG  94           2HB      ARG  94  -2.957   2.188  -2.788
  738    HG2  ARG  94           1HG      ARG  94  -1.640   1.723  -0.779
  739    HG3  ARG  94           2HG      ARG  94  -0.156   2.238  -1.592
  740    HD2  ARG  94           1HD      ARG  94  -0.896   4.035  -0.183
  741    HD3  ARG  94           2HD      ARG  94  -1.089   4.531  -1.854
  742    HE   ARG  94           HE       ARG  94  -3.224   3.873   0.131
  743   HH11  ARG  94          1HH1      ARG  94  -2.568   5.004  -3.181
  744   HH12  ARG  94          2HH1      ARG  94  -4.191   5.589  -3.372
  745   HH21  ARG  94          1HH2      ARG  94  -5.193   4.759  -0.142
  746   HH22  ARG  94          2HH2      ARG  94  -5.681   5.414  -1.689
  747    H    ASP  95           H        ASP  95  -3.853  -0.400  -3.223
  748    HA   ASP  95           HA       ASP  95  -4.734   0.068  -6.008
  749    HB2  ASP  95           1HB      ASP  95  -4.236  -2.631  -4.738
  750    HB3  ASP  95           2HB      ASP  95  -5.641  -2.446  -5.771
  751    H    ILE  96           H        ILE  96  -7.090  -0.539  -6.220
  752    HA   ILE  96           HA       ILE  96  -8.611   0.119  -3.716
  753    HB   ILE  96           HB       ILE  96  -9.202   1.056  -6.557
  754   HG12  ILE  96          1HG1      ILE  96  -7.253   2.244  -5.549
  755   HG13  ILE  96          2HG1      ILE  96  -8.629   3.280  -5.873
  756   HG21  ILE  96          1HG2      ILE  96 -11.286   0.761  -5.403
  757   HG22  ILE  96          2HG2      ILE  96 -10.652   1.473  -3.902
  758   HG23  ILE  96          3HG2      ILE  96 -10.937   2.482  -5.332
  759   HD11  ILE  96          3HD1      ILE  96  -7.463   3.667  -3.646
  760   HD12  ILE  96          1HD1      ILE  96  -9.220   3.408  -3.560
  761   HD13  ILE  96          2HD1      ILE  96  -8.117   2.093  -3.125
  762    H    ILE  97           H        ILE  97 -10.280  -1.084  -3.265
  763    HA   ILE  97           HA       ILE  97 -11.070  -3.348  -5.032
  764    HB   ILE  97           HB       ILE  97 -12.002  -2.727  -2.227
  765   HG12  ILE  97          1HG1      ILE  97 -10.589  -4.903  -1.834
  766   HG13  ILE  97          2HG1      ILE  97  -9.676  -4.368  -3.231
  767   HG21  ILE  97          1HG2      ILE  97 -13.615  -4.029  -3.410
  768   HG22  ILE  97          2HG2      ILE  97 -12.362  -5.147  -4.013
  769   HG23  ILE  97          3HG2      ILE  97 -12.775  -5.087  -2.281
  770   HD11  ILE  97          3HD1      ILE  97  -9.070  -3.656  -0.717
  771   HD12  ILE  97          1HD1      ILE  97  -8.778  -2.542  -2.071
  772   HD13  ILE  97          2HD1      ILE  97 -10.205  -2.348  -1.012
  773    H    ASP  98           H        ASP  98 -13.011  -3.500  -5.989
  774    HA   ASP  98           HA       ASP  98 -14.801  -1.126  -5.926
  775    HB2  ASP  98           1HB      ASP  98 -13.740  -1.862  -8.064
  776    HB3  ASP  98           2HB      ASP  98 -14.630  -3.379  -7.953
  777    H    ILE  99           H        ILE  99 -14.840  -4.486  -5.142
  778    HA   ILE  99           HA       ILE  99 -16.195  -5.793  -3.921
  779    HB   ILE  99           HB       ILE  99 -18.112  -3.476  -3.619
  780   HG12  ILE  99          1HG1      ILE  99 -15.847  -2.929  -2.744
  781   HG13  ILE  99          2HG1      ILE  99 -17.098  -2.956  -1.521
  782   HG21  ILE  99          1HG2      ILE  99 -19.198  -5.606  -3.092
  783   HG22  ILE  99          2HG2      ILE  99 -17.895  -6.020  -1.968
  784   HG23  ILE  99          3HG2      ILE  99 -18.952  -4.633  -1.642
  785   HD11  ILE  99          3HD1      ILE  99 -14.881  -3.959  -0.852
  786   HD12  ILE  99          1HD1      ILE  99 -16.277  -5.023  -0.597
  787   HD13  ILE  99          2HD1      ILE  99 -15.197  -5.293  -1.981
  788    HA   PRO 100           HA       PRO 100 -18.677  -7.310  -7.306
  789    HB2  PRO 100           1HB      PRO 100 -19.266  -9.814  -6.424
  790    HB3  PRO 100           2HB      PRO 100 -17.600  -9.321  -6.841
  791    HG2  PRO 100           1HG      PRO 100 -18.886  -9.373  -4.086
  792    HG3  PRO 100           2HG      PRO 100 -17.321 -10.097  -4.586
  793    HD2  PRO 100           1HD      PRO 100 -17.473  -7.636  -3.416
  794    HD3  PRO 100           2HD      PRO 100 -16.275  -7.982  -4.693
  795    H    LYS 101           H        LYS 101 -20.863  -8.280  -7.717
  796    HA   LYS 101           HA       LYS 101 -22.948  -6.792  -6.477
  797    HB2  LYS 101           1HB      LYS 101 -24.433  -8.028  -7.928
  798    HB3  LYS 101           2HB      LYS 101 -22.980  -7.549  -8.803
  799    HG2  LYS 101           1HG      LYS 101 -22.068  -9.864  -8.544
  800    HG3  LYS 101           2HG      LYS 101 -23.545 -10.338  -7.681
  801    HD2  LYS 101           1HD      LYS 101 -24.897  -9.778  -9.683
  802    HD3  LYS 101           2HD      LYS 101 -23.419  -9.302 -10.548
  803    HE2  LYS 101           1HE      LYS 101 -22.513 -11.603 -10.260
  804    HE3  LYS 101           2HE      LYS 101 -23.986 -12.077  -9.402
  805    HZ1  LYS 101           3HZ      LYS 101 -24.079 -12.714 -11.738
  806    HZ2  LYS 101           1HZ      LYS 101 -25.241 -11.607 -11.434
  807    HZ3  LYS 101           2HZ      LYS 101 -23.879 -11.168 -12.227
  808    H    LYS 102           H        LYS 102 -21.517  -9.680  -5.338
  809    HA   LYS 102           HA       LYS 102 -23.746 -10.610  -3.694
  810    HB2  LYS 102           1HB      LYS 102 -21.845 -12.018  -4.498
  811    HB3  LYS 102           2HB      LYS 102 -20.745 -11.107  -3.453
  812    HG2  LYS 102           1HG      LYS 102 -21.945 -11.907  -1.450
  813    HG3  LYS 102           2HG      LYS 102 -23.187 -12.649  -2.462
  814    HD2  LYS 102           1HD      LYS 102 -21.694 -14.380  -1.658
  815    HD3  LYS 102           2HD      LYS 102 -21.543 -14.215  -3.401
  816    HE2  LYS 102           1HE      LYS 102 -19.344 -14.528  -2.535
  817    HE3  LYS 102           2HE      LYS 102 -19.452 -12.852  -3.071
  818    HZ1  LYS 102           3HZ      LYS 102 -18.387 -13.049  -0.894
  819    HZ2  LYS 102           1HZ      LYS 102 -19.780 -12.214  -0.729
  820    HZ3  LYS 102           2HZ      LYS 102 -19.699 -13.778  -0.256
  821    H    GLY 103           H        GLY 103 -21.146  -8.258  -3.286
  822    HA2  GLY 103           1HA      GLY 103 -21.930  -7.584  -0.487
  823    HA3  GLY 103           2HA      GLY 103 -20.575  -6.906  -1.418
  824    H    VAL 104           H        VAL 104 -21.769  -6.034  -3.718
  825    HA   VAL 104           HA       VAL 104 -23.503  -3.794  -2.857
  826    HB   VAL 104           HB       VAL 104 -22.435  -4.370  -5.650
  827   HG11  VAL 104          1HG1      VAL 104 -24.396  -2.779  -5.553
  828   HG12  VAL 104          2HG1      VAL 104 -23.493  -1.788  -4.395
  829   HG13  VAL 104          3HG1      VAL 104 -22.902  -1.984  -6.055
  830   HG21  VAL 104          3HG2      VAL 104 -20.752  -2.593  -5.146
  831   HG22  VAL 104          1HG2      VAL 104 -21.268  -2.615  -3.445
  832   HG23  VAL 104          2HG2      VAL 104 -20.522  -4.049  -4.182
  833    H    SER 105           H        SER 105 -25.068  -5.490  -2.171
  834    HA   SER 105           HA       SER 105 -26.626  -6.775  -4.365
  835    HB2  SER 105           1HB      SER 105 -27.323  -8.327  -2.584
  836    HB3  SER 105           2HB      SER 105 -25.566  -8.250  -2.770
  837    HG   SER 105           HG       SER 105 -26.174  -8.172  -0.557
  838    H    GLY 106           H        GLY 106 -27.029  -4.127  -2.217
  839    HA2  GLY 106           1HA      GLY 106 -29.923  -4.512  -1.800
  840    HA3  GLY 106           2HA      GLY 106 -28.917  -3.191  -1.177
  841    HA   PRO 107           HA       PRO 107 -31.183  -1.839  -5.166
  842    HB2  PRO 107           1HB      PRO 107 -33.566  -0.844  -4.278
  843    HB3  PRO 107           2HB      PRO 107 -33.340  -2.564  -4.719
  844    HG2  PRO 107           1HG      PRO 107 -33.228  -1.326  -1.947
  845    HG3  PRO 107           2HG      PRO 107 -34.147  -2.772  -2.477
  846    HD2  PRO 107           1HD      PRO 107 -31.708  -2.974  -1.272
  847    HD3  PRO 107           2HD      PRO 107 -32.195  -4.094  -2.580
  848    H    SER 108           H        SER 108 -30.748  -0.533  -1.889
  849    HA   SER 108           HA       SER 108 -30.572   2.259  -2.791
  850    HB2  SER 108           1HB      SER 108 -30.104   2.615  -0.351
  851    HB3  SER 108           2HB      SER 108 -31.654   1.839  -0.702
  852    HG   SER 108           HG       SER 108 -30.506   0.801   1.029
  853    H    SER 109           H        SER 109 -28.430  -0.329  -2.978
  854    HA   SER 109           HA       SER 109 -26.008   1.016  -2.059
  855    HB2  SER 109           1HB      SER 109 -26.261  -1.524  -3.699
  856    HB3  SER 109           2HB      SER 109 -24.872  -0.999  -2.741
  857    HG   SER 109           HG       SER 109 -26.139  -1.264  -0.846
  858    H    GLY 110           H        GLY 110 -27.758   1.499  -4.857
  859    HA2  GLY 110           1HA      GLY 110 -25.811   3.134  -6.134
  860    HA3  GLY 110           2HA      GLY 110 -25.841   1.580  -6.966
  861   H5'1  ATP 201          H5"       ATP 111  11.673 -13.178   4.457
  862   H5'2  ATP 201          H5'       ATP 111  10.638 -13.072   3.027
  863    H4'  ATP 201           H4'      ATP 111   9.987 -14.582   5.595
  864    H3'  ATP 201           H3'      ATP 111   8.924 -15.249   3.157
  865   HO3'  ATP 201          H3T       ATP 111   6.866 -15.494   4.428
  866    H2'  ATP 201           H2'      ATP 111   8.315 -13.020   2.568
  867   HO2'  ATP 201          2HO       ATP 111   5.963 -12.896   2.862
  868    H1'  ATP 201           H1'      ATP 111   7.144 -12.683   5.339
  869    H8   ATP 201           8H       ATP 111   9.743 -10.520   3.402
  870   HN61  ATP 201          2H6       ATP 111   6.805  -6.599   2.882
  871   HN62  ATP 201          1H6       ATP 111   5.151  -6.301   3.429
  872    H2   ATP 201           2H       ATP 111   3.693  -9.836   5.465
  Start of MODEL   11
    1    HA   PRO   1           HA       PRO   1 -29.650  14.531 -14.702
    2    HB2  PRO   1           1HB      PRO   1 -31.208  16.654 -13.250
    3    HB3  PRO   1           2HB      PRO   1 -30.251  15.289 -12.607
    4    HG2  PRO   1           1HG      PRO   1 -29.409  18.048 -13.127
    5    HG3  PRO   1           2HG      PRO   1 -28.423  16.736 -12.419
    6    HD2  PRO   1           1HD      PRO   1 -27.868  17.792 -14.886
    7    HD3  PRO   1           2HD      PRO   1 -27.584  16.081 -14.480
    8    H    SER   2           H        SER   2 -31.886  13.631 -14.148
    9    HA   SER   2           HA       SER   2 -34.218  14.640 -15.558
   10    HB2  SER   2           1HB      SER   2 -34.473  12.769 -17.095
   11    HB3  SER   2           2HB      SER   2 -32.976  13.637 -17.450
   12    HG   SER   2           HG       SER   2 -32.636  11.373 -17.458
   13    H    SER   3           H        SER   3 -36.131  13.219 -15.209
   14    HA   SER   3           HA       SER   3 -36.340  12.387 -12.522
   15    HB2  SER   3           1HB      SER   3 -38.192  11.682 -14.823
   16    HB3  SER   3           2HB      SER   3 -38.604  11.765 -13.102
   17    HG   SER   3           HG       SER   3 -39.241  13.671 -14.238
   18    H    GLY   4           H        GLY   4 -34.912  10.566 -14.979
   19    HA2  GLY   4           1HA      GLY   4 -35.573   7.886 -13.936
   20    HA3  GLY   4           2HA      GLY   4 -34.369   8.301 -15.183
   21    H    SER   5           H        SER   5 -33.451  10.416 -13.002
   22    HA   SER   5           HA       SER   5 -31.915   8.561 -11.203
   23    HB2  SER   5           1HB      SER   5 -30.724  10.738 -12.957
   24    HB3  SER   5           2HB      SER   5 -29.860   9.846 -11.696
   25    HG   SER   5           HG       SER   5 -29.526   8.966 -13.821
   26    H    SER   6           H        SER   6 -33.040  11.904 -11.792
   27    HA   SER   6           HA       SER   6 -33.566  13.607 -10.433
   28    HB2  SER   6           1HB      SER   6 -33.742  11.470  -8.289
   29    HB3  SER   6           2HB      SER   6 -34.440  13.093  -8.207
   30    HG   SER   6           HG       SER   6 -35.964  11.503  -8.919
   31    H    GLY   7           H        GLY   7 -30.555  12.518 -10.255
   32    HA2  GLY   7           1HA      GLY   7 -28.661  13.816  -9.690
   33    HA3  GLY   7           2HA      GLY   7 -29.615  14.752  -8.526
   34    H    PHE   8           H        PHE   8 -27.135  13.914  -7.857
   35    HA   PHE   8           HA       PHE   8 -27.464  11.671  -5.929
   36    HB2  PHE   8           1HB      PHE   8 -25.214  12.240  -7.908
   37    HB3  PHE   8           2HB      PHE   8 -25.179  11.010  -6.668
   38    HD1  PHE   8           1HD      PHE   8 -27.012   9.156  -6.718
   39    HD2  PHE   8           2HD      PHE   8 -26.131  11.741 -10.057
   40    HE1  PHE   8           1HE      PHE   8 -28.100   7.541  -8.260
   41    HE2  PHE   8           2HE      PHE   8 -27.212  10.122 -11.595
   42    HZ   PHE   8           HZ       PHE   8 -28.201   8.020 -10.699
   43    H    LEU   9           H        LEU   9 -25.837  11.594  -4.269
   44    HA   LEU   9           HA       LEU   9 -24.302  13.980  -3.558
   45    HB2  LEU   9           1HB      LEU   9 -26.647  14.515  -2.874
   46    HB3  LEU   9           2HB      LEU   9 -26.707  13.023  -1.941
   47    HG   LEU   9           HG       LEU   9 -24.957  13.901  -0.410
   48   HD11  LEU   9          1HD1      LEU   9 -23.732  15.432  -1.918
   49   HD12  LEU   9          2HD1      LEU   9 -25.176  16.457  -2.073
   50   HD13  LEU   9          3HD1      LEU   9 -24.338  16.312  -0.514
   51   HD21  LEU   9          3HD2      LEU   9 -26.369  15.592   0.681
   52   HD22  LEU   9          1HD2      LEU   9 -27.324  15.781  -0.806
   53   HD23  LEU   9          2HD2      LEU   9 -27.347  14.241   0.085
   54    H    ASP  10           H        ASP  10 -22.800  13.569  -1.872
   55    HA   ASP  10           HA       ASP  10 -22.539  10.858  -0.736
   56    HB2  ASP  10           1HB      ASP  10 -21.511  10.925  -3.081
   57    HB3  ASP  10           2HB      ASP  10 -20.363  12.100  -2.429
   58    H    LYS  11           H        LYS  11 -20.547  10.716   0.546
   59    HA   LYS  11           HA       LYS  11 -20.643  12.816   2.584
   60    HB2  LYS  11           1HB      LYS  11 -19.726   9.940   2.344
   61    HB3  LYS  11           2HB      LYS  11 -19.142  10.890   3.696
   62    HG2  LYS  11           1HG      LYS  11 -21.955  11.405   3.575
   63    HG3  LYS  11           2HG      LYS  11 -21.779   9.681   3.267
   64    HD2  LYS  11           1HD      LYS  11 -20.607  11.203   5.641
   65    HD3  LYS  11           2HD      LYS  11 -22.103  10.254   5.667
   66    HE2  LYS  11           1HE      LYS  11 -20.828   8.203   5.054
   67    HE3  LYS  11           2HE      LYS  11 -19.324   9.131   5.065
   68    HZ1  LYS  11           3HZ      LYS  11 -19.662   7.973   7.163
   69    HZ2  LYS  11           1HZ      LYS  11 -19.699   9.584   7.429
   70    HZ3  LYS  11           2HZ      LYS  11 -21.089   8.722   7.416
   71    HA   PRO  12           HA       PRO  12 -16.727  14.718   2.009
   72    HB2  PRO  12           1HB      PRO  12 -15.890  15.318   4.546
   73    HB3  PRO  12           2HB      PRO  12 -17.311  16.064   3.779
   74    HG2  PRO  12           1HG      PRO  12 -17.225  13.716   5.702
   75    HG3  PRO  12           2HG      PRO  12 -18.288  15.159   5.771
   76    HD2  PRO  12           1HD      PRO  12 -19.083  12.767   4.709
   77    HD3  PRO  12           2HD      PRO  12 -19.690  14.310   4.081
   78    H    THR  13           H        THR  13 -14.377  14.730   2.965
   79    HA   THR  13           HA       THR  13 -13.230  12.133   3.585
   80    HB   THR  13           HB       THR  13 -13.837  11.921   1.156
   81    HG1  THR  13           1HG      THR  13 -12.003  10.900   0.768
   82   HG21  THR  13          3HG2      THR  13 -12.738  13.190  -0.518
   83   HG22  THR  13          1HG2      THR  13 -13.341  14.387   0.621
   84   HG23  THR  13          2HG2      THR  13 -11.620  13.940   0.645
   85    H    LEU  14           H        LEU  14 -10.897  12.140   3.357
   86    HA   LEU  14           HA       LEU  14  -9.709  14.693   4.390
   87    HB2  LEU  14           1HB      LEU  14  -8.939  11.835   5.085
   88    HB3  LEU  14           2HB      LEU  14  -8.317  13.304   5.808
   89    HG   LEU  14           HG       LEU  14 -11.195  13.388   6.124
   90   HD11  LEU  14          1HD1      LEU  14 -11.186  10.959   5.706
   91   HD12  LEU  14          2HD1      LEU  14 -10.005  10.732   7.016
   92   HD13  LEU  14          3HD1      LEU  14 -11.636  11.342   7.379
   93   HD21  LEU  14          3HD2      LEU  14 -10.656  13.367   8.512
   94   HD22  LEU  14          1HD2      LEU  14  -9.002  12.815   8.160
   95   HD23  LEU  14          2HD2      LEU  14  -9.542  14.425   7.626
   96    H    LEU  15           H        LEU  15  -9.723  12.685   1.734
   97    HA   LEU  15           HA       LEU  15  -6.828  12.692   1.172
   98    HB2  LEU  15           1HB      LEU  15  -9.084  11.787  -0.643
   99    HB3  LEU  15           2HB      LEU  15  -7.379  11.390  -0.768
  100    HG   LEU  15           HG       LEU  15  -9.302  10.401   1.381
  101   HD11  LEU  15          1HD1      LEU  15  -9.573   9.375  -0.857
  102   HD12  LEU  15          2HD1      LEU  15  -7.847   8.949  -0.872
  103   HD13  LEU  15          3HD1      LEU  15  -8.939   8.215   0.322
  104   HD21  LEU  15          3HD2      LEU  15  -7.413   8.957   2.129
  105   HD22  LEU  15          1HD2      LEU  15  -6.321   9.830   1.030
  106   HD23  LEU  15          2HD2      LEU  15  -7.085  10.672   2.401
  107    H    SER  16           H        SER  16  -6.598  13.028  -1.424
  108    HA   SER  16           HA       SER  16  -6.947  15.928  -1.863
  109    HB2  SER  16           1HB      SER  16  -5.016  13.774  -2.739
  110    HB3  SER  16           2HB      SER  16  -5.106  15.275  -3.586
  111    HG   SER  16           HG       SER  16  -3.510  15.316  -1.892
  112    HA   PRO  17           HA       PRO  17  -9.644  15.388  -5.315
  113    HB2  PRO  17           1HB      PRO  17  -8.695  17.180  -7.177
  114    HB3  PRO  17           2HB      PRO  17  -9.544  17.658  -5.676
  115    HG2  PRO  17           1HG      PRO  17  -6.546  17.516  -6.152
  116    HG3  PRO  17           2HG      PRO  17  -7.491  18.853  -5.411
  117    HD2  PRO  17           1HD      PRO  17  -6.212  17.042  -3.875
  118    HD3  PRO  17           2HD      PRO  17  -7.832  17.657  -3.418
  119    H    GLU  18           H        GLU  18  -6.191  14.971  -5.859
  120    HA   GLU  18           HA       GLU  18  -6.570  13.523  -8.383
  121    HB2  GLU  18           1HB      GLU  18  -4.152  13.323  -8.414
  122    HB3  GLU  18           2HB      GLU  18  -4.663  14.987  -8.147
  123    HG2  GLU  18           1HG      GLU  18  -4.173  14.760  -5.722
  124    HG3  GLU  18           2HG      GLU  18  -3.669  13.086  -5.974
  125    H    GLU  19           H        GLU  19  -6.810  12.607  -5.113
  126    HA   GLU  19           HA       GLU  19  -6.020   9.782  -5.521
  127    HB2  GLU  19           1HB      GLU  19  -7.070  11.408  -3.183
  128    HB3  GLU  19           2HB      GLU  19  -7.088   9.662  -3.148
  129    HG2  GLU  19           1HG      GLU  19  -4.615  11.372  -3.598
  130    HG3  GLU  19           2HG      GLU  19  -5.141  10.735  -2.029
  131    H    LEU  20           H        LEU  20  -8.881  11.697  -4.652
  132    HA   LEU  20           HA       LEU  20 -10.823   9.645  -4.705
  133    HB2  LEU  20           1HB      LEU  20 -11.123  12.598  -5.384
  134    HB3  LEU  20           2HB      LEU  20 -12.431  11.549  -4.859
  135    HG   LEU  20           HG       LEU  20  -9.996  11.952  -3.065
  136   HD11  LEU  20          1HD1      LEU  20 -10.784  14.131  -3.855
  137   HD12  LEU  20          2HD1      LEU  20 -12.403  13.780  -3.211
  138   HD13  LEU  20          3HD1      LEU  20 -10.998  13.901  -2.105
  139   HD21  LEU  20          3HD2      LEU  20 -11.523  11.399  -1.297
  140   HD22  LEU  20          1HD2      LEU  20 -12.912  11.391  -2.412
  141   HD23  LEU  20          2HD2      LEU  20 -11.643  10.150  -2.538
  142    H    LYS  21           H        LYS  21 -10.085  12.043  -7.245
  143    HA   LYS  21           HA       LYS  21 -11.685  10.821  -9.292
  144    HB2  LYS  21           1HB      LYS  21  -9.389  12.773  -9.336
  145    HB3  LYS  21           2HB      LYS  21  -9.978  12.103 -10.835
  146    HG2  LYS  21           1HG      LYS  21 -10.973  14.296 -10.287
  147    HG3  LYS  21           2HG      LYS  21 -12.138  13.015 -10.619
  148    HD2  LYS  21           1HD      LYS  21 -12.716  12.805  -8.279
  149    HD3  LYS  21           2HD      LYS  21 -11.392  13.889  -7.806
  150    HE2  LYS  21           1HE      LYS  21 -12.461  15.743  -9.074
  151    HE3  LYS  21           2HE      LYS  21 -13.767  14.659  -9.567
  152    HZ1  LYS  21           3HZ      LYS  21 -14.410  16.001  -7.662
  153    HZ2  LYS  21           1HZ      LYS  21 -14.378  14.429  -7.223
  154    HZ3  LYS  21           2HZ      LYS  21 -13.169  15.437  -6.764
  155    H    ALA  22           H        ALA  22  -8.703   9.633  -8.027
  156    HA   ALA  22           HA       ALA  22  -8.170   7.929 -10.407
  157    HB1  ALA  22           1HB      ALA  22  -6.252   8.955  -9.272
  158    HB2  ALA  22           2HB      ALA  22  -6.704   8.201  -7.735
  159    HB3  ALA  22           3HB      ALA  22  -6.206   7.191  -9.105
  160    H    ALA  23           H        ALA  23  -8.974   7.489  -6.921
  161    HA   ALA  23           HA       ALA  23  -9.363   4.641  -7.203
  162    HB1  ALA  23           1HB      ALA  23  -8.513   5.715  -5.153
  163    HB2  ALA  23           2HB      ALA  23 -10.055   6.574  -4.941
  164    HB3  ALA  23           3HB      ALA  23  -9.996   4.804  -4.815
  165    H    SER  24           H        SER  24 -11.697   7.367  -6.922
  166    HA   SER  24           HA       SER  24 -14.019   5.626  -6.723
  167    HB2  SER  24           1HB      SER  24 -13.775   7.978  -5.813
  168    HB3  SER  24           2HB      SER  24 -13.976   8.558  -7.477
  169    HG   SER  24           HG       SER  24 -15.973   8.471  -6.291
  170    H    ARG  25           H        ARG  25 -12.310   7.116  -9.423
  171    HA   ARG  25           HA       ARG  25 -14.256   6.561 -11.468
  172    HB2  ARG  25           1HB      ARG  25 -12.332   8.152 -11.595
  173    HB3  ARG  25           2HB      ARG  25 -11.233   6.781 -11.707
  174    HG2  ARG  25           1HG      ARG  25 -11.663   7.751 -13.889
  175    HG3  ARG  25           2HG      ARG  25 -12.286   6.103 -13.847
  176    HD2  ARG  25           1HD      ARG  25 -14.583   6.955 -13.577
  177    HD3  ARG  25           2HD      ARG  25 -13.968   8.620 -13.469
  178    HE   ARG  25           HE       ARG  25 -13.060   7.444 -15.897
  179   HH11  ARG  25          1HH1      ARG  25 -16.097   8.618 -14.512
  180   HH12  ARG  25          2HH1      ARG  25 -16.770   8.993 -16.073
  181   HH21  ARG  25          1HH2      ARG  25 -13.986   7.951 -17.876
  182   HH22  ARG  25          2HH2      ARG  25 -15.589   8.619 -17.948
  183    H    GLY  26           H        GLY  26 -11.874   4.600  -9.827
  184    HA2  GLY  26           1HA      GLY  26 -12.141   2.221 -11.554
  185    HA3  GLY  26           2HA      GLY  26 -11.307   2.335  -9.983
  186    H    ASN  27           H        ASN  27 -12.882   2.826  -8.108
  187    HA   ASN  27           HA       ASN  27 -15.575   1.750  -8.278
  188    HB2  ASN  27           1HB      ASN  27 -14.229  -0.351  -8.416
  189    HB3  ASN  27           2HB      ASN  27 -13.467   0.065  -6.886
  190   HD21  ASN  27          2HD2      ASN  27 -14.239  -1.566  -5.586
  191   HD22  ASN  27          1HD2      ASN  27 -15.953  -1.819  -5.257
  192    H    GLY  28           H        GLY  28 -12.968   3.079  -6.321
  193    HA2  GLY  28           1HA      GLY  28 -13.289   4.710  -4.639
  194    HA3  GLY  28           2HA      GLY  28 -14.915   4.079  -4.292
  195    H    GLU  29           H        GLU  29 -12.972   1.433  -4.489
  196    HA   GLU  29           HA       GLU  29 -12.414   1.231  -1.587
  197    HB2  GLU  29           1HB      GLU  29 -13.086  -0.613  -3.694
  198    HB3  GLU  29           2HB      GLU  29 -11.466  -0.978  -3.155
  199    HG2  GLU  29           1HG      GLU  29 -13.118  -2.271  -1.865
  200    HG3  GLU  29           2HG      GLU  29 -12.250  -1.157  -0.814
  201    H    TYR  30           H        TYR  30 -10.205  -0.112  -1.272
  202    HA   TYR  30           HA       TYR  30  -7.958   0.536  -2.903
  203    HB2  TYR  30           1HB      TYR  30  -6.795   2.100  -1.488
  204    HB3  TYR  30           2HB      TYR  30  -8.310   2.807  -1.991
  205    HD1  TYR  30           2HD      TYR  30 -10.339   2.578  -0.331
  206    HD2  TYR  30           1HD      TYR  30  -6.231   1.919   0.802
  207    HE1  TYR  30           2HE      TYR  30 -10.945   2.926   2.067
  208    HE2  TYR  30           1HE      TYR  30  -6.829   2.238   3.189
  209    HH   TYR  30           HH       TYR  30  -8.496   2.689   4.690
  210    H    ALA  31           H        ALA  31  -6.044  -0.428  -2.221
  211    HA   ALA  31           HA       ALA  31  -5.797  -1.742   0.408
  212    HB1  ALA  31           1HB      ALA  31  -6.955  -3.512  -0.603
  213    HB2  ALA  31           2HB      ALA  31  -6.229  -3.235  -2.203
  214    HB3  ALA  31           3HB      ALA  31  -5.275  -3.956  -0.884
  215    H    TRP  32           H        TRP  32  -3.714  -2.412   0.923
  216    HA   TRP  32           HA       TRP  32  -1.501  -1.419  -0.813
  217    HB2  TRP  32           1HB      TRP  32  -1.595  -2.167   2.127
  218    HB3  TRP  32           2HB      TRP  32  -0.121  -1.825   1.243
  219    HD1  TRP  32           HD       TRP  32  -3.357   0.014   2.246
  220    HE1  TRP  32           1HE      TRP  32  -2.819   2.488   2.607
  221    HE3  TRP  32           3HE      TRP  32   1.567   0.000   0.777
  222    HZ2  TRP  32           2HZ      TRP  32  -0.530   4.235   2.357
  223    HZ3  TRP  32           3HZ      TRP  32   2.886   2.100   0.860
  224    HH2  TRP  32           HH       TRP  32   1.846   4.215   1.631
  225    H    TYR  33           H        TYR  33   0.155  -2.722  -1.440
  226    HA   TYR  33           HA       TYR  33   0.036  -5.665  -0.954
  227    HB2  TYR  33           1HB      TYR  33   0.160  -4.201  -3.606
  228    HB3  TYR  33           2HB      TYR  33   0.691  -5.858  -3.440
  229    HD1  TYR  33           1HD      TYR  33  -2.329  -3.659  -3.006
  230    HD2  TYR  33           2HD      TYR  33  -0.797  -7.613  -3.794
  231    HE1  TYR  33           1HE      TYR  33  -4.624  -4.446  -3.506
  232    HE2  TYR  33           2HE      TYR  33  -3.098  -8.404  -4.299
  233    HH   TYR  33           HH       TYR  33  -5.948  -6.231  -4.127
  234    H    TYR  34           H        TYR  34   2.014  -6.784  -1.432
  235    HA   TYR  34           HA       TYR  34   4.497  -5.180  -1.777
  236    HB2  TYR  34           1HB      TYR  34   5.611  -6.332  -0.001
  237    HB3  TYR  34           2HB      TYR  34   4.161  -5.590   0.640
  238    HD1  TYR  34           1HD      TYR  34   2.181  -6.991   1.281
  239    HD2  TYR  34           2HD      TYR  34   5.921  -8.739   0.032
  240    HE1  TYR  34           1HE      TYR  34   1.485  -9.164   2.258
  241    HE2  TYR  34           2HE      TYR  34   5.231 -10.918   1.011
  242    HH   TYR  34           HH       TYR  34   2.065 -11.361   2.647
  243    H    GLU  35           H        GLU  35   6.230  -6.340  -2.816
  244    HA   GLU  35           HA       GLU  35   5.421  -8.775  -4.294
  245    HB2  GLU  35           1HB      GLU  35   8.010  -7.183  -4.315
  246    HB3  GLU  35           2HB      GLU  35   7.759  -8.712  -5.168
  247    HG2  GLU  35           1HG      GLU  35   5.673  -7.564  -6.220
  248    HG3  GLU  35           2HG      GLU  35   6.427  -6.057  -5.681
  249    H    GLY  36           H        GLY  36   5.386 -10.612  -3.260
  250    HA2  GLY  36           1HA      GLY  36   7.409 -11.385  -1.201
  251    HA3  GLY  36           2HA      GLY  36   5.937 -12.267  -1.641
  252    H    ARG  37           H        ARG  37   7.150 -14.193  -1.865
  253    HA   ARG  37           HA       ARG  37   9.417 -14.487  -3.580
  254    HB2  ARG  37           1HB      ARG  37   8.779 -15.980  -1.690
  255    HB3  ARG  37           2HB      ARG  37   7.415 -16.576  -2.639
  256    HG2  ARG  37           1HG      ARG  37   9.079 -17.407  -4.376
  257    HG3  ARG  37           2HG      ARG  37  10.383 -16.850  -3.315
  258    HD2  ARG  37           1HD      ARG  37  10.090 -19.216  -2.986
  259    HD3  ARG  37           2HD      ARG  37   9.509 -18.389  -1.528
  260    HE   ARG  37           HE       ARG  37   7.344 -18.767  -3.383
  261   HH11  ARG  37          1HH1      ARG  37   9.280 -20.730  -1.161
  262   HH12  ARG  37          2HH1      ARG  37   8.002 -21.892  -0.950
  263   HH21  ARG  37          1HH2      ARG  37   5.770 -20.243  -3.062
  264   HH22  ARG  37          2HH2      ARG  37   6.023 -21.623  -2.027
  265    H    ASN  38           H        ASN  38   5.956 -15.073  -4.179
  266    HA   ASN  38           HA       ASN  38   6.520 -15.895  -6.978
  267    HB2  ASN  38           1HB      ASN  38   4.177 -16.378  -5.118
  268    HB3  ASN  38           2HB      ASN  38   4.166 -16.818  -6.822
  269   HD21  ASN  38          2HD2      ASN  38   5.318 -18.671  -7.501
  270   HD22  ASN  38          1HD2      ASN  38   6.126 -19.713  -6.344
  271    H    GLY  39           H        GLY  39   5.351 -13.062  -5.468
  272    HA2  GLY  39           1HA      GLY  39   5.136 -11.404  -7.580
  273    HA3  GLY  39           2HA      GLY  39   3.579 -12.214  -7.673
  274    H    TRP  40           H        TRP  40   2.762  -9.986  -7.344
  275    HA   TRP  40           HA       TRP  40   2.989  -8.641  -4.823
  276    HB2  TRP  40           1HB      TRP  40   0.824  -8.533  -6.951
  277    HB3  TRP  40           2HB      TRP  40   0.985  -7.417  -5.604
  278    HD1  TRP  40           HD       TRP  40   2.222  -8.050  -9.065
  279    HE1  TRP  40           1HE      TRP  40   3.885  -6.254  -9.790
  280    HE3  TRP  40           3HE      TRP  40   2.984  -5.789  -4.536
  281    HZ2  TRP  40           2HZ      TRP  40   5.244  -3.986  -8.594
  282    HZ3  TRP  40           3HZ      TRP  40   4.465  -3.817  -4.363
  283    HH2  TRP  40           HH       TRP  40   5.579  -2.878  -6.371
  284    H    TRP  41           H        TRP  41   2.020  -8.984  -2.937
  285    HA   TRP  41           HA       TRP  41  -0.487 -10.593  -2.743
  286    HB2  TRP  41           1HB      TRP  41   1.944 -10.725  -0.916
  287    HB3  TRP  41           2HB      TRP  41   0.419 -11.578  -0.666
  288    HD1  TRP  41           HD       TRP  41   3.712 -12.259  -1.875
  289    HE1  TRP  41           1HE      TRP  41   3.831 -14.181  -3.581
  290    HE3  TRP  41           3HE      TRP  41  -1.273 -12.722  -2.916
  291    HZ2  TRP  41           2HZ      TRP  41   2.020 -15.527  -5.383
  292    HZ3  TRP  41           3HZ      TRP  41  -2.051 -14.271  -4.652
  293    HH2  TRP  41           HH       TRP  41  -0.422 -15.693  -5.913
  294    H    GLN  42           H        GLN  42  -1.986  -9.905  -1.258
  295    HA   GLN  42           HA       GLN  42  -1.846  -7.063  -0.626
  296    HB2  GLN  42           1HB      GLN  42  -3.875  -8.378  -1.483
  297    HB3  GLN  42           2HB      GLN  42  -4.031  -9.027   0.155
  298    HG2  GLN  42           1HG      GLN  42  -4.166  -6.645   1.000
  299    HG3  GLN  42           2HG      GLN  42  -4.128  -6.084  -0.669
  300   HE21  GLN  42          2HE2      GLN  42  -6.269  -5.863   1.498
  301   HE22  GLN  42          1HE2      GLN  42  -7.697  -6.531   0.724
  302    H    TYR  43           H        TYR  43  -1.653  -6.071   1.355
  303    HA   TYR  43           HA       TYR  43  -0.600  -7.517   3.648
  304    HB2  TYR  43           1HB      TYR  43  -1.472  -4.677   3.082
  305    HB3  TYR  43           2HB      TYR  43  -1.125  -5.190   4.725
  306    HD1  TYR  43           1HD      TYR  43   1.140  -6.190   5.289
  307    HD2  TYR  43           2HD      TYR  43   0.345  -4.076   1.629
  308    HE1  TYR  43           1HE      TYR  43   3.558  -5.690   5.064
  309    HE2  TYR  43           2HE      TYR  43   2.770  -3.580   1.377
  310    HH   TYR  43           HH       TYR  43   5.186  -4.703   3.770
  311    H    ASP  44           H        ASP  44  -1.520  -7.728   5.708
  312    HA   ASP  44           HA       ASP  44  -4.343  -8.384   5.909
  313    HB2  ASP  44           1HB      ASP  44  -2.586  -9.492   7.233
  314    HB3  ASP  44           2HB      ASP  44  -2.189  -7.964   8.018
  315    H    GLU  45           H        GLU  45  -5.880  -7.310   7.340
  316    HA   GLU  45           HA       GLU  45  -5.974  -4.463   6.724
  317    HB2  GLU  45           1HB      GLU  45  -8.173  -4.525   7.819
  318    HB3  GLU  45           2HB      GLU  45  -7.990  -5.729   6.545
  319    HG2  GLU  45           1HG      GLU  45  -7.670  -7.508   8.220
  320    HG3  GLU  45           2HG      GLU  45  -7.755  -6.325   9.523
  321    H    ARG  46           H        ARG  46  -4.822  -6.256   9.439
  322    HA   ARG  46           HA       ARG  46  -4.871  -3.957  11.277
  323    HB2  ARG  46           1HB      ARG  46  -3.276  -6.508  11.616
  324    HB3  ARG  46           2HB      ARG  46  -3.798  -5.369  12.849
  325    HG2  ARG  46           1HG      ARG  46  -5.475  -7.416  11.367
  326    HG3  ARG  46           2HG      ARG  46  -5.165  -7.284  13.097
  327    HD2  ARG  46           1HD      ARG  46  -6.492  -5.128  13.088
  328    HD3  ARG  46           2HD      ARG  46  -6.876  -5.449  11.376
  329    HE   ARG  46           HE       ARG  46  -7.534  -7.748  12.912
  330   HH11  ARG  46          1HH1      ARG  46  -8.757  -4.464  12.415
  331   HH12  ARG  46          2HH1      ARG  46 -10.391  -4.920  12.785
  332   HH21  ARG  46          1HH2      ARG  46  -9.664  -8.264  13.393
  333   HH22  ARG  46          2HH2      ARG  46 -10.893  -7.038  13.345
  334    H    THR  47           H        THR  47  -2.835  -5.091   8.738
  335    HA   THR  47           HA       THR  47  -0.461  -3.567   9.670
  336    HB   THR  47           HB       THR  47  -0.766  -5.500   7.342
  337    HG1  THR  47           1HG      THR  47   0.402  -6.844   8.813
  338   HG21  THR  47          3HG2      THR  47   1.767  -5.504   7.527
  339   HG22  THR  47          1HG2      THR  47   1.089  -3.973   6.940
  340   HG23  THR  47          2HG2      THR  47   1.625  -4.109   8.622
  341    H    SER  48           H        SER  48  -2.564  -3.820   6.730
  342    HA   SER  48           HA       SER  48  -1.328  -1.667   5.341
  343    HB2  SER  48           1HB      SER  48  -3.329  -1.658   3.949
  344    HB3  SER  48           2HB      SER  48  -2.763  -3.309   4.245
  345    HG   SER  48           HG       SER  48  -5.054  -3.107   4.501
  346    H    ARG  49           H        ARG  49  -3.803  -1.597   7.872
  347    HA   ARG  49           HA       ARG  49  -4.572   1.109   7.525
  348    HB2  ARG  49           1HB      ARG  49  -5.599   1.008   9.610
  349    HB3  ARG  49           2HB      ARG  49  -5.728  -0.590   8.915
  350    HG2  ARG  49           1HG      ARG  49  -5.193  -1.075  11.107
  351    HG3  ARG  49           2HG      ARG  49  -3.651  -1.217  10.296
  352    HD2  ARG  49           1HD      ARG  49  -3.586  -0.109  12.565
  353    HD3  ARG  49           2HD      ARG  49  -2.845   0.805  11.279
  354    HE   ARG  49           HE       ARG  49  -5.653   1.451  11.934
  355   HH11  ARG  49          1HH1      ARG  49  -2.257   2.428  12.439
  356   HH12  ARG  49          2HH1      ARG  49  -2.707   4.127  12.523
  357   HH21  ARG  49          1HH2      ARG  49  -6.100   3.652  12.225
  358   HH22  ARG  49          2HH2      ARG  49  -4.789   4.755  12.550
  359    H    GLU  50           H        GLU  50  -1.601  -0.231   8.895
  360    HA   GLU  50           HA       GLU  50  -0.854   2.205  10.326
  361    HB2  GLU  50           1HB      GLU  50   0.920  -0.047   9.292
  362    HB3  GLU  50           2HB      GLU  50   1.394   1.185  10.447
  363    HG2  GLU  50           1HG      GLU  50  -0.852  -0.806  11.003
  364    HG3  GLU  50           2HG      GLU  50   0.837  -1.125  11.357
  365    H    LEU  51           H        LEU  51  -0.270   0.828   7.132
  366    HA   LEU  51           HA       LEU  51   1.542   2.831   6.130
  367    HB2  LEU  51           1HB      LEU  51  -0.279   0.969   4.553
  368    HB3  LEU  51           2HB      LEU  51   1.252   1.667   4.040
  369    HG   LEU  51           HG       LEU  51   0.917  -0.450   6.217
  370   HD11  LEU  51          1HD1      LEU  51   0.381  -1.278   3.968
  371   HD12  LEU  51          2HD1      LEU  51   1.978  -0.741   3.391
  372   HD13  LEU  51          3HD1      LEU  51   1.846  -2.012   4.632
  373   HD21  LEU  51          3HD2      LEU  51   3.391  -0.656   6.040
  374   HD22  LEU  51          1HD2      LEU  51   3.409   0.771   4.975
  375   HD23  LEU  51          2HD2      LEU  51   2.890   0.917   6.668
  376    H    GLU  52           H        GLU  52  -1.958   2.277   5.767
  377    HA   GLU  52           HA       GLU  52  -2.705   4.535   4.253
  378    HB2  GLU  52           1HB      GLU  52  -4.150   2.579   4.904
  379    HB3  GLU  52           2HB      GLU  52  -4.191   3.206   6.550
  380    HG2  GLU  52           1HG      GLU  52  -5.156   5.393   5.382
  381    HG3  GLU  52           2HG      GLU  52  -5.524   4.281   4.070
  382    H    ASP  53           H        ASP  53  -2.257   4.248   7.829
  383    HA   ASP  53           HA       ASP  53  -3.356   6.853   8.411
  384    HB2  ASP  53           1HB      ASP  53  -3.272   4.798   9.874
  385    HB3  ASP  53           2HB      ASP  53  -1.553   5.062  10.099
  386    H    ALA  54           H        ALA  54  -0.154   5.521   7.998
  387    HA   ALA  54           HA       ALA  54   1.426   7.706   8.886
  388    HB1  ALA  54           1HB      ALA  54   2.280   5.505   8.715
  389    HB2  ALA  54           2HB      ALA  54   1.902   5.394   6.987
  390    HB3  ALA  54           3HB      ALA  54   3.203   6.488   7.544
  391    H    PHE  55           H        PHE  55   0.510   6.949   5.442
  392    HA   PHE  55           HA       PHE  55   1.762   9.388   4.512
  393    HB2  PHE  55           1HB      PHE  55   1.265   8.733   2.431
  394    HB3  PHE  55           2HB      PHE  55   1.075   7.174   3.194
  395    HD1  PHE  55           1HD      PHE  55  -1.191   6.205   3.527
  396    HD2  PHE  55           2HD      PHE  55  -0.615   9.951   1.494
  397    HE1  PHE  55           1HE      PHE  55  -3.466   6.011   2.532
  398    HE2  PHE  55           2HE      PHE  55  -2.886   9.764   0.501
  399    HZ   PHE  55           HZ       PHE  55  -4.312   7.791   1.015
  400    H    SER  56           H        SER  56  -1.257   8.692   5.946
  401    HA   SER  56           HA       SER  56  -2.619  11.181   5.183
  402    HB2  SER  56           1HB      SER  56  -3.684   8.927   5.796
  403    HB3  SER  56           2HB      SER  56  -3.346   9.342   7.476
  404    HG   SER  56           HG       SER  56  -5.460  10.008   6.803
  405    H    LYS  57           H        LYS  57  -0.660  10.091   7.961
  406    HA   LYS  57           HA       LYS  57  -1.063  12.440   9.627
  407    HB2  LYS  57           1HB      LYS  57   0.949  10.168   9.516
  408    HB3  LYS  57           2HB      LYS  57   1.123  11.493  10.667
  409    HG2  LYS  57           1HG      LYS  57  -0.742  10.892  11.918
  410    HG3  LYS  57           2HG      LYS  57  -1.505  10.014  10.593
  411    HD2  LYS  57           1HD      LYS  57  -0.641   8.446  12.304
  412    HD3  LYS  57           2HD      LYS  57   0.105   8.220  10.736
  413    HE2  LYS  57           1HE      LYS  57   1.972   8.077  12.043
  414    HE3  LYS  57           2HE      LYS  57   2.016   9.781  11.632
  415    HZ1  LYS  57           3HZ      LYS  57   2.332   9.487  14.018
  416    HZ2  LYS  57           1HZ      LYS  57   0.926  10.276  13.768
  417    HZ3  LYS  57           2HZ      LYS  57   0.914   8.692  14.168
  418    H    GLY  58           H        GLY  58   1.473  11.417   7.328
  419    HA2  GLY  58           1HA      GLY  58   2.337  13.254   5.860
  420    HA3  GLY  58           2HA      GLY  58   2.645  14.186   7.345
  421    H    LYS  59           H        LYS  59   3.387  11.065   8.252
  422    HA   LYS  59           HA       LYS  59   6.222  11.513   7.961
  423    HB2  LYS  59           1HB      LYS  59   6.408   9.132   8.811
  424    HB3  LYS  59           2HB      LYS  59   5.653  10.300   9.876
  425    HG2  LYS  59           1HG      LYS  59   3.471   9.441   9.527
  426    HG3  LYS  59           2HG      LYS  59   3.986   8.551   8.089
  427    HD2  LYS  59           1HD      LYS  59   3.614   7.075  10.038
  428    HD3  LYS  59           2HD      LYS  59   5.246   6.985   9.405
  429    HE2  LYS  59           1HE      LYS  59   6.039   8.486  11.237
  430    HE3  LYS  59           2HE      LYS  59   4.401   8.521  11.897
  431    HZ1  LYS  59           3HZ      LYS  59   5.723   6.845  13.017
  432    HZ2  LYS  59           1HZ      LYS  59   4.580   6.062  12.143
  433    HZ3  LYS  59           2HZ      LYS  59   6.123   6.115  11.612
  434    H    LYS  60           H        LYS  60   7.710  10.280   6.889
  435    HA   LYS  60           HA       LYS  60   6.853   9.572   4.129
  436    HB2  LYS  60           1HB      LYS  60   8.906  10.349   3.401
  437    HB3  LYS  60           2HB      LYS  60   8.437  11.482   4.652
  438    HG2  LYS  60           1HG      LYS  60   9.990  10.197   6.217
  439    HG3  LYS  60           2HG      LYS  60  10.538   9.292   4.790
  440    HD2  LYS  60           1HD      LYS  60  11.090  11.550   3.718
  441    HD3  LYS  60           2HD      LYS  60  10.715  12.300   5.263
  442    HE2  LYS  60           1HE      LYS  60  13.095  12.063   5.080
  443    HE3  LYS  60           2HE      LYS  60  12.532  10.976   6.351
  444    HZ1  LYS  60           3HZ      LYS  60  14.181  10.017   4.718
  445    HZ2  LYS  60           1HZ      LYS  60  12.820   9.127   4.872
  446    HZ3  LYS  60           2HZ      LYS  60  13.016  10.070   3.557
  447    H    ASN  61           H        ASN  61   7.412   7.889   6.851
  448    HA   ASN  61           HA       ASN  61   7.535   5.384   5.581
  449    HB2  ASN  61           1HB      ASN  61   9.650   4.477   6.362
  450    HB3  ASN  61           2HB      ASN  61   9.960   5.817   5.273
  451   HD21  ASN  61          2HD2      ASN  61  10.306   7.949   6.356
  452   HD22  ASN  61          1HD2      ASN  61  11.259   7.979   7.833
  453    H    THR  62           H        THR  62   7.010   3.762   6.994
  454    HA   THR  62           HA       THR  62   6.748   4.391   9.908
  455    HB   THR  62           HB       THR  62   4.649   4.978   8.631
  456    HG1  THR  62           1HG      THR  62   3.432   3.961  10.360
  457   HG21  THR  62          3HG2      THR  62   3.081   3.164   8.147
  458   HG22  THR  62          1HG2      THR  62   4.545   2.928   7.182
  459   HG23  THR  62          2HG2      THR  62   4.264   1.938   8.631
  460    H    GLU  63           H        GLU  63   5.729   2.329  11.026
  461    HA   GLU  63           HA       GLU  63   7.539   0.050  10.317
  462    HB2  GLU  63           1HB      GLU  63   6.986   1.402  12.986
  463    HB3  GLU  63           2HB      GLU  63   7.697  -0.210  12.848
  464    HG2  GLU  63           1HG      GLU  63   9.531   0.660  11.491
  465    HG3  GLU  63           2HG      GLU  63   8.873   2.294  11.571
  466    H    MET  64           H        MET  64   6.867  -1.979  10.729
  467    HA   MET  64           HA       MET  64   4.170  -2.560  11.781
  468    HB2  MET  64           1HB      MET  64   3.616  -3.792   9.654
  469    HB3  MET  64           2HB      MET  64   3.599  -2.033   9.524
  470    HG2  MET  64           1HG      MET  64   5.788  -2.035   8.453
  471    HG3  MET  64           2HG      MET  64   5.966  -3.769   8.732
  472    HE1  MET  64           3HE      MET  64   6.046  -3.538   5.000
  473    HE2  MET  64           1HE      MET  64   6.932  -3.197   6.486
  474    HE3  MET  64           2HE      MET  64   6.284  -4.834   6.197
  475    H    LEU  65           H        LEU  65   3.783  -4.689  12.242
  476    HA   LEU  65           HA       LEU  65   6.161  -6.438  12.509
  477    HB2  LEU  65           1HB      LEU  65   4.367  -5.497  14.434
  478    HB3  LEU  65           2HB      LEU  65   3.665  -7.043  14.035
  479    HG   LEU  65           HG       LEU  65   5.081  -7.205  15.953
  480   HD11  LEU  65          1HD1      LEU  65   5.055  -9.183  14.502
  481   HD12  LEU  65          2HD1      LEU  65   6.544  -8.610  13.712
  482   HD13  LEU  65          3HD1      LEU  65   6.558  -9.028  15.428
  483   HD21  LEU  65          3HD2      LEU  65   7.438  -6.674  15.986
  484   HD22  LEU  65          1HD2      LEU  65   7.427  -6.296  14.252
  485   HD23  LEU  65          2HD2      LEU  65   6.527  -5.268  15.386
  486    H    ILE  66           H        ILE  66   6.118  -8.452  11.833
  487    HA   ILE  66           HA       ILE  66   3.764  -9.448  10.221
  488    HB   ILE  66           HB       ILE  66   5.191 -10.366   8.604
  489   HG12  ILE  66          1HG1      ILE  66   7.740  -9.115   9.259
  490   HG13  ILE  66          2HG1      ILE  66   7.274 -10.163  10.575
  491   HG21  ILE  66          1HG2      ILE  66   4.422  -8.004   8.422
  492   HG22  ILE  66          2HG2      ILE  66   5.995  -7.464   9.035
  493   HG23  ILE  66          3HG2      ILE  66   5.886  -8.370   7.509
  494   HD11  ILE  66          3HD1      ILE  66   8.646 -11.243   8.714
  495   HD12  ILE  66          1HD1      ILE  66   7.189 -12.106   9.206
  496   HD13  ILE  66          2HD1      ILE  66   7.182 -11.158   7.716
  497    H    ALA  67           H        ALA  67   5.064 -12.000   9.658
  498    HA   ALA  67           HA       ALA  67   4.059 -13.604  11.721
  499    HB1  ALA  67           1HB      ALA  67   4.444 -14.263   9.346
  500    HB2  ALA  67           2HB      ALA  67   6.203 -14.194   9.622
  501    HB3  ALA  67           3HB      ALA  67   5.217 -15.403  10.469
  502    H    GLY  68           H        GLY  68   7.124 -11.976  11.748
  503    HA2  GLY  68           1HA      GLY  68   7.744 -12.829  14.397
  504    HA3  GLY  68           2HA      GLY  68   8.711 -13.769  13.280
  505    H    PHE  69           H        PHE  69   8.059 -10.457  12.312
  506    HA   PHE  69           HA       PHE  69  10.710  -9.489  13.178
  507    HB2  PHE  69           1HB      PHE  69   9.961  -9.919  10.251
  508    HB3  PHE  69           2HB      PHE  69  11.363  -9.038  10.808
  509    HD1  PHE  69           2HD      PHE  69  13.270 -10.201  11.904
  510    HD2  PHE  69           1HD      PHE  69   9.948 -12.380  10.220
  511    HE1  PHE  69           2HE      PHE  69  14.628 -12.280  11.902
  512    HE2  PHE  69           1HE      PHE  69  11.309 -14.450  10.217
  513    HZ   PHE  69           HZ       PHE  69  13.651 -14.407  11.058
  514    H    LEU  70           H        LEU  70  11.052  -7.289  12.857
  515    HA   LEU  70           HA       LEU  70   8.678  -5.579  12.327
  516    HB2  LEU  70           1HB      LEU  70  10.254  -5.337  14.382
  517    HB3  LEU  70           2HB      LEU  70  11.457  -4.774  13.234
  518    HG   LEU  70           HG       LEU  70  10.536  -2.907  14.340
  519   HD11  LEU  70          1HD1      LEU  70  10.869  -2.665  11.815
  520   HD12  LEU  70          2HD1      LEU  70   9.091  -2.747  11.696
  521   HD13  LEU  70          3HD1      LEU  70   9.855  -1.462  12.623
  522   HD21  LEU  70          3HD2      LEU  70   8.132  -2.302  14.291
  523   HD22  LEU  70          1HD2      LEU  70   7.764  -3.859  13.520
  524   HD23  LEU  70          2HD2      LEU  70   8.446  -3.815  15.160
  525    H    TYR  71           H        TYR  71   8.444  -4.710  10.416
  526    HA   TYR  71           HA       TYR  71  10.806  -4.215   8.646
  527    HB2  TYR  71           1HB      TYR  71   7.998  -4.941   7.805
  528    HB3  TYR  71           2HB      TYR  71   9.273  -4.421   6.705
  529    HD1  TYR  71           2HD      TYR  71  11.612  -6.042   7.888
  530    HD2  TYR  71           1HD      TYR  71   7.547  -7.098   6.915
  531    HE1  TYR  71           2HE      TYR  71  12.287  -8.409   7.635
  532    HE2  TYR  71           1HE      TYR  71   8.192  -9.458   6.752
  533    HH   TYR  71           HH       TYR  71   9.966 -10.993   6.784
  534    H    VAL  72           H        VAL  72  11.095  -2.279   7.877
  535    HA   VAL  72           HA       VAL  72   9.331  -0.037   8.687
  536    HB   VAL  72           HB       VAL  72  12.036   0.056   7.310
  537   HG11  VAL  72          1HG1      VAL  72  10.668   2.108   6.994
  538   HG12  VAL  72          2HG1      VAL  72  10.448   2.229   8.754
  539   HG13  VAL  72          3HG1      VAL  72  12.059   2.424   8.038
  540   HG21  VAL  72          3HG2      VAL  72  12.990   0.709   9.492
  541   HG22  VAL  72          1HG2      VAL  72  11.438   0.349  10.273
  542   HG23  VAL  72          2HG2      VAL  72  12.378  -0.947   9.502
  543    H    ALA  73           H        ALA  73   7.900   0.671   7.205
  544    HA   ALA  73           HA       ALA  73   8.128  -0.108   4.330
  545    HB1  ALA  73           1HB      ALA  73   6.041  -0.748   5.462
  546    HB2  ALA  73           2HB      ALA  73   5.786   0.938   5.966
  547    HB3  ALA  73           3HB      ALA  73   5.744   0.506   4.242
  548    H    ASP  74           H        ASP  74   8.938   1.343   3.023
  549    HA   ASP  74           HA       ASP  74   9.323   4.153   3.821
  550    HB2  ASP  74           1HB      ASP  74  11.172   2.672   2.976
  551    HB3  ASP  74           2HB      ASP  74  10.363   2.629   1.411
  552    H    LEU  75           H        LEU  75   7.744   5.504   3.356
  553    HA   LEU  75           HA       LEU  75   5.771   4.971   1.254
  554    HB2  LEU  75           1HB      LEU  75   5.987   6.908   3.574
  555    HB3  LEU  75           2HB      LEU  75   4.833   7.189   2.289
  556    HG   LEU  75           HG       LEU  75   3.679   5.140   2.724
  557   HD11  LEU  75          1HD1      LEU  75   5.391   3.610   3.523
  558   HD12  LEU  75          2HD1      LEU  75   5.551   4.566   5.023
  559   HD13  LEU  75          3HD1      LEU  75   4.038   3.717   4.648
  560   HD21  LEU  75          3HD2      LEU  75   2.648   5.816   4.803
  561   HD22  LEU  75          1HD2      LEU  75   4.143   6.620   5.344
  562   HD23  LEU  75          2HD2      LEU  75   3.210   7.284   4.000
  563    H    GLU  76           H        GLU  76   8.773   6.533   1.240
  564    HA   GLU  76           HA       GLU  76   8.041   8.620  -0.734
  565    HB2  GLU  76           1HB      GLU  76  10.793   7.629   0.112
  566    HB3  GLU  76           2HB      GLU  76  10.420   9.000  -0.907
  567    HG2  GLU  76           1HG      GLU  76   9.180   9.910   1.195
  568    HG3  GLU  76           2HG      GLU  76  10.005   8.626   2.072
  569    H    ASN  77           H        ASN  77  10.005   5.658  -0.608
  570    HA   ASN  77           HA       ASN  77  10.388   5.598  -3.532
  571    HB2  ASN  77           1HB      ASN  77  11.545   3.981  -1.220
  572    HB3  ASN  77           2HB      ASN  77  12.050   3.832  -2.900
  573   HD21  ASN  77          2HD2      ASN  77  12.062   6.023  -0.049
  574   HD22  ASN  77          1HD2      ASN  77  13.426   6.963  -0.641
  575    H    MET  78           H        MET  78   8.186   4.317  -1.395
  576    HA   MET  78           HA       MET  78   6.768   2.526  -1.253
  577    HB2  MET  78           1HB      MET  78   7.012   2.466  -4.274
  578    HB3  MET  78           2HB      MET  78   5.767   1.671  -3.307
  579    HG2  MET  78           1HG      MET  78   6.081   4.650  -3.025
  580    HG3  MET  78           2HG      MET  78   5.369   3.991  -4.483
  581    HE1  MET  78           3HE      MET  78   3.412   4.144  -0.343
  582    HE2  MET  78           1HE      MET  78   4.922   3.234  -0.501
  583    HE3  MET  78           2HE      MET  78   4.884   4.974  -0.889
  584    H    VAL  79           H        VAL  79   8.859   1.694  -0.269
  585    HA   VAL  79           HA       VAL  79   9.115  -1.118  -1.169
  586    HB   VAL  79           HB       VAL  79  11.543  -1.223  -0.610
  587   HG11  VAL  79          1HG1      VAL  79  10.890  -1.156  -2.935
  588   HG12  VAL  79          2HG1      VAL  79  10.930   0.628  -2.930
  589   HG13  VAL  79          3HG1      VAL  79  12.417  -0.312  -2.673
  590   HG21  VAL  79          3HG2      VAL  79  12.897   0.815  -0.532
  591   HG22  VAL  79          1HG2      VAL  79  11.439   1.812  -0.595
  592   HG23  VAL  79          2HG2      VAL  79  11.750   0.752   0.802
  593    H    GLN  80           H        GLN  80  10.253  -2.458   0.639
  594    HA   GLN  80           HA       GLN  80  10.083  -1.288   3.313
  595    HB2  GLN  80           1HB      GLN  80   8.589  -2.964   4.220
  596    HB3  GLN  80           2HB      GLN  80   7.804  -2.145   2.879
  597    HG2  GLN  80           1HG      GLN  80   7.256  -4.232   2.222
  598    HG3  GLN  80           2HG      GLN  80   8.858  -4.276   1.516
  599   HE21  GLN  80          2HE2      GLN  80  10.601  -5.429   2.860
  600   HE22  GLN  80          1HE2      GLN  80  10.022  -6.677   3.973
  601    H    TYR  81           H        TYR  81  11.281  -2.320   4.874
  602    HA   TYR  81           HA       TYR  81  13.028  -4.612   4.263
  603    HB2  TYR  81           1HB      TYR  81  15.058  -3.094   4.623
  604    HB3  TYR  81           2HB      TYR  81  14.258  -3.024   3.073
  605    HD1  TYR  81           2HD      TYR  81  14.350  -1.209   6.391
  606    HD2  TYR  81           1HD      TYR  81  13.613  -0.960   2.151
  607    HE1  TYR  81           2HE      TYR  81  14.142   1.248   6.577
  608    HE2  TYR  81           1HE      TYR  81  13.420   1.501   2.323
  609    HH   TYR  81           HH       TYR  81  13.418   3.342   3.747
  610    H    ARG  82           H        ARG  82  14.378  -5.231   6.102
  611    HA   ARG  82           HA       ARG  82  13.238  -4.712   8.740
  612    HB2  ARG  82           1HB      ARG  82  14.298  -6.836   8.052
  613    HB3  ARG  82           2HB      ARG  82  15.863  -6.030   7.931
  614    HG2  ARG  82           1HG      ARG  82  15.880  -5.590  10.335
  615    HG3  ARG  82           2HG      ARG  82  14.219  -6.199  10.495
  616    HD2  ARG  82           1HD      ARG  82  14.947  -8.440   9.810
  617    HD3  ARG  82           2HD      ARG  82  16.592  -7.865   9.546
  618    HE   ARG  82           HE       ARG  82  15.188  -8.215  12.153
  619   HH11  ARG  82          1HH1      ARG  82  18.258  -7.446  10.555
  620   HH12  ARG  82          2HH1      ARG  82  19.154  -7.575  12.039
  621   HH21  ARG  82          1HH2      ARG  82  16.413  -8.380  14.011
  622   HH22  ARG  82          2HH2      ARG  82  18.126  -8.099  13.959
  623    H    ARG  83           H        ARG  83  14.274  -3.563  10.523
  624    HA   ARG  83           HA       ARG  83  14.901  -0.942   9.931
  625    HB2  ARG  83           1HB      ARG  83  15.469  -2.598  12.406
  626    HB3  ARG  83           2HB      ARG  83  15.875  -0.878  12.326
  627    HG2  ARG  83           1HG      ARG  83  13.562  -0.261  11.883
  628    HG3  ARG  83           2HG      ARG  83  13.079  -1.963  11.808
  629    HD2  ARG  83           1HD      ARG  83  12.469  -0.952  13.977
  630    HD3  ARG  83           2HD      ARG  83  13.576  -2.303  14.149
  631    HE   ARG  83           HE       ARG  83  15.286  -0.894  14.860
  632   HH11  ARG  83          1HH1      ARG  83  12.423   1.122  14.160
  633   HH12  ARG  83          2HH1      ARG  83  13.198   2.534  14.812
  634   HH21  ARG  83          1HH2      ARG  83  16.153   0.966  15.715
  635   HH22  ARG  83          2HH2      ARG  83  15.240   2.442  15.709
  636    H    ASN  84           H        ASN  84  17.364  -3.484  10.209
  637    HA   ASN  84           HA       ASN  84  19.554  -1.505   9.879
  638    HB2  ASN  84           1HB      ASN  84  19.547  -3.327  11.643
  639    HB3  ASN  84           2HB      ASN  84  19.752  -4.492  10.335
  640   HD21  ASN  84          2HD2      ASN  84  21.904  -5.022   9.989
  641   HD22  ASN  84          1HD2      ASN  84  23.256  -3.955  10.327
  642    H    GLU  85           H        GLU  85  17.570  -2.975   7.718
  643    HA   GLU  85           HA       GLU  85  19.607  -4.025   5.819
  644    HB2  GLU  85           1HB      GLU  85  17.855  -5.523   6.669
  645    HB3  GLU  85           2HB      GLU  85  16.612  -4.404   6.116
  646    HG2  GLU  85           1HG      GLU  85  17.241  -4.840   3.767
  647    HG3  GLU  85           2HG      GLU  85  18.485  -5.977   4.330
  648    H    HIS  86           H        HIS  86  19.655  -3.331   3.693
  649    HA   HIS  86           HA       HIS  86  17.645  -1.440   2.660
  650    HB2  HIS  86           1HB      HIS  86  19.230   0.281   2.027
  651    HB3  HIS  86           2HB      HIS  86  19.238   0.053   3.770
  652    HD2  HIS  86           2HD      HIS  86  21.467  -1.014   4.880
  653    HE1  HIS  86           1HE      HIS  86  23.916  -0.831   1.403
  654    HE2  HIS  86           2HE      HIS  86  23.909  -1.223   3.921
  655    H    GLY  87           H        GLY  87  20.535  -3.407   1.950
  656    HA2  GLY  87           1HA      GLY  87  20.311  -3.221  -0.915
  657    HA3  GLY  87           2HA      GLY  87  21.297  -4.377   0.007
  658    H    ARG  88           H        ARG  88  18.436  -5.038   1.255
  659    HA   ARG  88           HA       ARG  88  17.580  -6.960  -0.856
  660    HB2  ARG  88           1HB      ARG  88  18.801  -7.525   1.556
  661    HB3  ARG  88           2HB      ARG  88  17.112  -7.674   1.999
  662    HG2  ARG  88           1HG      ARG  88  18.501  -9.118  -0.307
  663    HG3  ARG  88           2HG      ARG  88  18.195  -9.791   1.299
  664    HD2  ARG  88           1HD      ARG  88  15.736  -9.436   0.914
  665    HD3  ARG  88           2HD      ARG  88  16.102  -8.997  -0.764
  666    HE   ARG  88           HE       ARG  88  17.261 -11.323  -0.831
  667   HH11  ARG  88          1HH1      ARG  88  14.284 -10.718   1.042
  668   HH12  ARG  88          2HH1      ARG  88  13.803 -12.393   0.904
  669   HH21  ARG  88          1HH2      ARG  88  16.446 -13.488  -0.924
  670   HH22  ARG  88          2HH2      ARG  88  14.896 -13.803  -0.135
  671    H    ARG  89           H        ARG  89  16.535  -4.183  -0.037
  672    HA   ARG  89           HA       ARG  89  13.980  -4.321   1.143
  673    HB2  ARG  89           1HB      ARG  89  13.580  -2.158   0.132
  674    HB3  ARG  89           2HB      ARG  89  15.197  -2.263   0.816
  675    HG2  ARG  89           1HG      ARG  89  16.018  -2.769  -1.587
  676    HG3  ARG  89           2HG      ARG  89  14.398  -2.268  -2.110
  677    HD2  ARG  89           1HD      ARG  89  14.752  -0.067  -1.029
  678    HD3  ARG  89           2HD      ARG  89  16.355  -0.555  -0.512
  679    HE   ARG  89           HE       ARG  89  15.469   0.191  -3.215
  680   HH11  ARG  89          1HH1      ARG  89  18.131  -1.287  -1.392
  681   HH12  ARG  89          2HH1      ARG  89  19.272  -0.986  -2.675
  682   HH21  ARG  89          1HH2      ARG  89  16.994   0.529  -4.809
  683   HH22  ARG  89          2HH2      ARG  89  18.635   0.015  -4.575
  684    H    ARG  90           H        ARG  90  11.939  -4.599   0.444
  685    HA   ARG  90           HA       ARG  90  11.467  -5.928  -2.210
  686    HB2  ARG  90           1HB      ARG  90  10.031  -6.126   0.473
  687    HB3  ARG  90           2HB      ARG  90   9.337  -6.708  -1.042
  688    HG2  ARG  90           1HG      ARG  90  11.252  -8.226  -1.366
  689    HG3  ARG  90           2HG      ARG  90  11.945  -7.704   0.181
  690    HD2  ARG  90           1HD      ARG  90  10.072  -8.587   1.423
  691    HD3  ARG  90           2HD      ARG  90   9.134  -8.874  -0.036
  692    HE   ARG  90           HE       ARG  90  11.135 -10.627   1.122
  693   HH11  ARG  90          1HH1      ARG  90   9.541  -9.917  -1.975
  694   HH12  ARG  90          2HH1      ARG  90  10.175 -11.368  -2.697
  695   HH21  ARG  90          1HH2      ARG  90  11.703 -12.428   0.277
  696   HH22  ARG  90          2HH2      ARG  90  11.364 -12.866  -1.393
  697    H    LYS  91           H        LYS  91   9.943  -5.059  -3.586
  698    HA   LYS  91           HA       LYS  91   9.039  -2.338  -3.241
  699    HB2  LYS  91           1HB      LYS  91   8.652  -4.578  -5.215
  700    HB3  LYS  91           2HB      LYS  91   7.476  -3.292  -5.252
  701    HG2  LYS  91           1HG      LYS  91  10.471  -2.831  -5.486
  702    HG3  LYS  91           2HG      LYS  91   9.393  -3.040  -6.861
  703    HD2  LYS  91           1HD      LYS  91   9.253  -0.801  -4.811
  704    HD3  LYS  91           2HD      LYS  91   9.878  -0.662  -6.436
  705    HE2  LYS  91           1HE      LYS  91   6.976  -1.279  -5.714
  706    HE3  LYS  91           2HE      LYS  91   7.610   0.307  -6.127
  707    HZ1  LYS  91           3HZ      LYS  91   6.616  -0.743  -8.060
  708    HZ2  LYS  91           1HZ      LYS  91   8.213  -0.533  -8.318
  709    HZ3  LYS  91           2HZ      LYS  91   7.635  -2.021  -7.970
  710    H    ILE  92           H        ILE  92   7.084  -1.445  -2.835
  711    HA   ILE  92           HA       ILE  92   4.755  -3.198  -2.232
  712    HB   ILE  92           HB       ILE  92   3.975  -1.734  -0.469
  713   HG12  ILE  92          1HG1      ILE  92   6.653  -0.359  -0.616
  714   HG13  ILE  92          2HG1      ILE  92   5.144   0.320  -1.250
  715   HG21  ILE  92          1HG2      ILE  92   5.382  -3.733   0.065
  716   HG22  ILE  92          2HG2      ILE  92   6.797  -2.671   0.185
  717   HG23  ILE  92          3HG2      ILE  92   5.425  -2.470   1.296
  718   HD11  ILE  92          3HD1      ILE  92   5.584   1.338   0.857
  719   HD12  ILE  92          1HD1      ILE  92   4.232   0.207   1.107
  720   HD13  ILE  92          2HD1      ILE  92   5.875  -0.221   1.646
  721    H    LYS  93           H        LYS  93   2.681  -1.965  -2.406
  722    HA   LYS  93           HA       LYS  93   2.676   0.451  -4.030
  723    HB2  LYS  93           1HB      LYS  93   1.584  -0.403  -5.987
  724    HB3  LYS  93           2HB      LYS  93   3.063  -1.330  -5.766
  725    HG2  LYS  93           1HG      LYS  93   1.803  -3.212  -4.842
  726    HG3  LYS  93           2HG      LYS  93   0.299  -2.279  -4.876
  727    HD2  LYS  93           1HD      LYS  93   0.353  -2.147  -7.304
  728    HD3  LYS  93           2HD      LYS  93   1.882  -3.059  -7.351
  729    HE2  LYS  93           1HE      LYS  93   0.842  -5.030  -6.444
  730    HE3  LYS  93           2HE      LYS  93  -0.617  -4.144  -5.980
  731    HZ1  LYS  93           3HZ      LYS  93  -0.879  -5.476  -8.031
  732    HZ2  LYS  93           1HZ      LYS  93  -1.232  -3.897  -8.232
  733    HZ3  LYS  93           2HZ      LYS  93   0.193  -4.510  -8.805
  734    H    ARG  94           H        ARG  94   0.431   1.078  -4.648
  735    HA   ARG  94           HA       ARG  94  -1.677   0.131  -2.751
  736    HB2  ARG  94           1HB      ARG  94  -1.026   2.917  -3.751
  737    HB3  ARG  94           2HB      ARG  94  -2.668   2.485  -3.255
  738    HG2  ARG  94           1HG      ARG  94  -1.999   1.918  -1.039
  739    HG3  ARG  94           2HG      ARG  94  -0.277   2.009  -1.426
  740    HD2  ARG  94           1HD      ARG  94  -2.087   4.434  -1.736
  741    HD3  ARG  94           2HD      ARG  94  -1.400   3.990  -0.171
  742    HE   ARG  94           HE       ARG  94   0.679   4.019  -2.132
  743   HH11  ARG  94          1HH1      ARG  94  -1.285   6.295  -0.266
  744   HH12  ARG  94          2HH1      ARG  94  -0.057   7.519  -0.295
  745   HH21  ARG  94          1HH2      ARG  94   2.220   5.639  -2.139
  746   HH22  ARG  94          2HH2      ARG  94   1.902   7.152  -1.345
  747    H    ASP  95           H        ASP  95  -3.557  -0.458  -3.634
  748    HA   ASP  95           HA       ASP  95  -4.074  -0.209  -6.552
  749    HB2  ASP  95           1HB      ASP  95  -2.899  -2.508  -5.496
  750    HB3  ASP  95           2HB      ASP  95  -4.626  -2.884  -5.414
  751    H    ILE  96           H        ILE  96  -6.269  -1.616  -6.881
  752    HA   ILE  96           HA       ILE  96  -8.287  -0.540  -4.937
  753    HB   ILE  96           HB       ILE  96  -8.414  -0.436  -7.960
  754   HG12  ILE  96          1HG1      ILE  96  -6.802   1.230  -7.085
  755   HG13  ILE  96          2HG1      ILE  96  -8.206   1.961  -7.839
  756   HG21  ILE  96          1HG2      ILE  96 -10.660  -0.654  -7.098
  757   HG22  ILE  96          2HG2      ILE  96 -10.346   0.491  -5.772
  758   HG23  ILE  96          3HG2      ILE  96 -10.450   1.058  -7.457
  759   HD11  ILE  96          3HD1      ILE  96  -7.437   3.043  -5.669
  760   HD12  ILE  96          1HD1      ILE  96  -9.153   2.587  -5.744
  761   HD13  ILE  96          2HD1      ILE  96  -8.020   1.578  -4.835
  762    H    ILE  97           H        ILE  97  -9.944  -1.760  -4.496
  763    HA   ILE  97           HA       ILE  97 -10.213  -4.493  -5.671
  764    HB   ILE  97           HB       ILE  97 -11.700  -3.277  -3.335
  765   HG12  ILE  97          1HG1      ILE  97 -10.260  -5.166  -2.155
  766   HG13  ILE  97          2HG1      ILE  97  -9.131  -4.863  -3.468
  767   HG21  ILE  97          1HG2      ILE  97 -13.001  -4.975  -4.368
  768   HG22  ILE  97          2HG2      ILE  97 -11.614  -6.095  -4.433
  769   HG23  ILE  97          3HG2      ILE  97 -12.340  -5.626  -2.873
  770   HD11  ILE  97          3HD1      ILE  97  -8.984  -3.543  -1.184
  771   HD12  ILE  97          1HD1      ILE  97  -8.687  -2.666  -2.704
  772   HD13  ILE  97          2HD1      ILE  97 -10.250  -2.525  -1.854
  773    H    ASP  98           H        ASP  98 -11.943  -5.101  -6.861
  774    HA   ASP  98           HA       ASP  98 -13.770  -2.971  -7.797
  775    HB2  ASP  98           1HB      ASP  98 -12.346  -4.222  -9.411
  776    HB3  ASP  98           2HB      ASP  98 -13.177  -5.712  -8.966
  777    H    ILE  99           H        ILE  99 -13.933  -5.903  -6.004
  778    HA   ILE  99           HA       ILE  99 -15.484  -6.827  -4.672
  779    HB   ILE  99           HB       ILE  99 -17.333  -4.555  -5.406
  780   HG12  ILE  99          1HG1      ILE  99 -15.208  -3.771  -4.341
  781   HG13  ILE  99          2HG1      ILE  99 -16.655  -3.423  -3.421
  782   HG21  ILE  99          1HG2      ILE  99 -18.661  -6.332  -4.496
  783   HG22  ILE  99          2HG2      ILE  99 -17.555  -6.536  -3.125
  784   HG23  ILE  99          3HG2      ILE  99 -18.510  -5.052  -3.299
  785   HD11  ILE  99          3HD1      ILE  99 -14.725  -4.170  -2.028
  786   HD12  ILE  99          1HD1      ILE  99 -16.161  -5.179  -1.815
  787   HD13  ILE  99          2HD1      ILE  99 -14.803  -5.764  -2.801
  788    HA   PRO 100           HA       PRO 100 -17.640  -9.400  -7.661
  789    HB2  PRO 100           1HB      PRO 100 -18.341 -11.495  -6.081
  790    HB3  PRO 100           2HB      PRO 100 -16.634 -11.140  -6.476
  791    HG2  PRO 100           1HG      PRO 100 -18.178 -10.324  -3.985
  792    HG3  PRO 100           2HG      PRO 100 -16.583 -11.145  -4.070
  793    HD2  PRO 100           1HD      PRO 100 -16.828  -8.434  -3.780
  794    HD3  PRO 100           2HD      PRO 100 -15.503  -9.158  -4.729
  795    H    LYS 101           H        LYS 101 -19.809 -10.465  -7.912
  796    HA   LYS 101           HA       LYS 101 -21.928  -8.642  -7.429
  797    HB2  LYS 101           1HB      LYS 101 -23.392 -10.337  -8.368
  798    HB3  LYS 101           2HB      LYS 101 -21.909 -10.172  -9.306
  799    HG2  LYS 101           1HG      LYS 101 -21.015 -12.259  -8.321
  800    HG3  LYS 101           2HG      LYS 101 -22.413 -12.381  -7.252
  801    HD2  LYS 101           1HD      LYS 101 -22.687 -13.915  -9.113
  802    HD3  LYS 101           2HD      LYS 101 -23.921 -12.664  -9.150
  803    HE2  LYS 101           1HE      LYS 101 -23.209 -13.039 -11.402
  804    HE3  LYS 101           2HE      LYS 101 -22.627 -11.447 -10.920
  805    HZ1  LYS 101           3HZ      LYS 101 -20.924 -12.730 -12.085
  806    HZ2  LYS 101           1HZ      LYS 101 -20.426 -12.447 -10.559
  807    HZ3  LYS 101           2HZ      LYS 101 -20.986 -13.927 -10.977
  808    H    LYS 102           H        LYS 102 -20.779 -11.160  -5.336
  809    HA   LYS 102           HA       LYS 102 -22.994 -11.521  -3.591
  810    HB2  LYS 102           1HB      LYS 102 -20.874 -12.846  -3.744
  811    HB3  LYS 102           2HB      LYS 102 -20.016 -11.531  -2.931
  812    HG2  LYS 102           1HG      LYS 102 -21.440 -11.827  -0.927
  813    HG3  LYS 102           2HG      LYS 102 -22.359 -13.097  -1.744
  814    HD2  LYS 102           1HD      LYS 102 -19.375 -13.202  -1.103
  815    HD3  LYS 102           2HD      LYS 102 -20.656 -13.937  -0.129
  816    HE2  LYS 102           1HE      LYS 102 -21.328 -15.343  -2.081
  817    HE3  LYS 102           2HE      LYS 102 -19.998 -14.655  -3.024
  818    HZ1  LYS 102           3HZ      LYS 102 -19.373 -16.771  -2.032
  819    HZ2  LYS 102           1HZ      LYS 102 -18.451 -15.585  -1.393
  820    HZ3  LYS 102           2HZ      LYS 102 -19.681 -16.226  -0.525
  821    H    GLY 103           H        GLY 103 -21.009  -8.695  -3.999
  822    HA2  GLY 103           1HA      GLY 103 -21.590  -7.377  -1.489
  823    HA3  GLY 103           2HA      GLY 103 -20.977  -6.638  -2.990
  824    H    VAL 104           H        VAL 104 -23.648  -7.967  -4.151
  825    HA   VAL 104           HA       VAL 104 -25.209  -5.658  -4.338
  826    HB   VAL 104           HB       VAL 104 -25.426  -7.660  -5.769
  827   HG11  VAL 104          1HG1      VAL 104 -25.579  -9.418  -3.961
  828   HG12  VAL 104          2HG1      VAL 104 -27.229  -8.857  -3.620
  829   HG13  VAL 104          3HG1      VAL 104 -26.832  -9.538  -5.205
  830   HG21  VAL 104          3HG2      VAL 104 -27.792  -7.415  -6.239
  831   HG22  VAL 104          1HG2      VAL 104 -28.088  -6.719  -4.635
  832   HG23  VAL 104          2HG2      VAL 104 -27.096  -5.840  -5.822
  833    H    SER 105           H        SER 105 -26.895  -4.734  -3.256
  834    HA   SER 105           HA       SER 105 -27.789  -5.796  -0.619
  835    HB2  SER 105           1HB      SER 105 -26.418  -3.109  -1.058
  836    HB3  SER 105           2HB      SER 105 -27.241  -3.606   0.424
  837    HG   SER 105           HG       SER 105 -24.928  -4.822  -0.733
  838    H    GLY 106           H        GLY 106 -29.562  -4.550   0.320
  839    HA2  GLY 106           1HA      GLY 106 -31.589  -3.868  -1.650
  840    HA3  GLY 106           2HA      GLY 106 -31.768  -3.876   0.111
  841    HA   PRO 107           HA       PRO 107 -31.634   0.468  -1.719
  842    HB2  PRO 107           1HB      PRO 107 -34.232   1.260  -1.487
  843    HB3  PRO 107           2HB      PRO 107 -33.663   0.207  -2.817
  844    HG2  PRO 107           1HG      PRO 107 -34.965  -0.644  -0.203
  845    HG3  PRO 107           2HG      PRO 107 -35.436  -1.112  -1.870
  846    HD2  PRO 107           1HD      PRO 107 -33.829  -2.691  -0.340
  847    HD3  PRO 107           2HD      PRO 107 -33.558  -2.527  -2.102
  848    H    SER 108           H        SER 108 -32.332  -0.823   1.397
  849    HA   SER 108           HA       SER 108 -33.076   1.440   2.876
  850    HB2  SER 108           1HB      SER 108 -31.396  -0.900   3.835
  851    HB3  SER 108           2HB      SER 108 -32.462   0.128   4.807
  852    HG   SER 108           HG       SER 108 -33.471  -1.869   4.271
  853    H    SER 109           H        SER 109 -30.099   1.135   1.309
  854    HA   SER 109           HA       SER 109 -28.437   2.582   3.257
  855    HB2  SER 109           1HB      SER 109 -26.788   2.543   1.404
  856    HB3  SER 109           2HB      SER 109 -27.395   0.939   1.837
  857    HG   SER 109           HG       SER 109 -27.339   1.270  -0.454
  858    H    GLY 110           H        GLY 110 -30.865   3.548   1.056
  859    HA2  GLY 110           1HA      GLY 110 -30.504   6.351   1.571
  860    HA3  GLY 110           2HA      GLY 110 -29.911   5.974  -0.046
  861   H5'1  ATP 201          H5"       ATP 111  11.740 -14.361   5.367
  862   H5'2  ATP 201          H5'       ATP 111  11.649 -12.865   6.294
  863    H4'  ATP 201           H4'      ATP 111   9.811 -14.363   6.860
  864    H3'  ATP 201           H3'      ATP 111   9.718 -15.172   4.225
  865   HO3'  ATP 201          H3T       ATP 111   7.448 -15.804   4.886
  866    H2'  ATP 201           H2'      ATP 111   8.876 -13.140   3.368
  867   HO2'  ATP 201          2HO       ATP 111   6.633 -13.447   2.923
  868    H1'  ATP 201           H1'      ATP 111   6.987 -12.964   5.728
  869    H8   ATP 201           8H       ATP 111   9.477 -10.726   3.684
  870   HN61  ATP 201          2H6       ATP 111   6.271  -6.892   3.303
  871   HN62  ATP 201          1H6       ATP 111   4.540  -6.855   3.676
  872    H2   ATP 201           2H       ATP 111   3.583 -10.138   6.190
  Start of MODEL   12
    1    HA   PRO   1           HA       PRO   1  19.995  12.306   6.211
    2    HB2  PRO   1           1HB      PRO   1  22.364  10.560   5.544
    3    HB3  PRO   1           2HB      PRO   1  22.200  11.827   6.795
    4    HG2  PRO   1           1HG      PRO   1  21.723   8.978   7.059
    5    HG3  PRO   1           2HG      PRO   1  21.428  10.222   8.309
    6    HD2  PRO   1           1HD      PRO   1  19.392   8.769   7.125
    7    HD3  PRO   1           2HD      PRO   1  19.200  10.412   7.781
    8    H    SER   2           H        SER   2  21.586  13.623   4.903
    9    HA   SER   2           HA       SER   2  22.273  14.705   3.047
   10    HB2  SER   2           1HB      SER   2  21.700  12.194   1.438
   11    HB3  SER   2           2HB      SER   2  22.577  13.620   0.896
   12    HG   SER   2           HG       SER   2  23.336  11.880   3.033
   13    H    SER   3           H        SER   3  21.576  15.881   1.155
   14    HA   SER   3           HA       SER   3  18.811  16.660   1.344
   15    HB2  SER   3           1HB      SER   3  20.941  17.475  -0.668
   16    HB3  SER   3           2HB      SER   3  19.421  18.324  -0.339
   17    HG   SER   3           HG       SER   3  21.205  19.264   0.788
   18    H    GLY   4           H        GLY   4  17.267  16.838  -0.372
   19    HA2  GLY   4           1HA      GLY   4  16.326  16.427  -2.461
   20    HA3  GLY   4           2HA      GLY   4  17.617  15.269  -2.848
   21    H    SER   5           H        SER   5  16.607  14.276   0.072
   22    HA   SER   5           HA       SER   5  15.196  12.778   1.010
   23    HB2  SER   5           1HB      SER   5  13.222  13.642  -1.124
   24    HB3  SER   5           2HB      SER   5  12.847  12.798   0.383
   25    HG   SER   5           HG       SER   5  12.542  15.093   0.538
   26    H    SER   6           H        SER   6  16.074  12.120  -2.220
   27    HA   SER   6           HA       SER   6  16.696  10.190  -3.229
   28    HB2  SER   6           1HB      SER   6  17.257   9.576  -0.786
   29    HB3  SER   6           2HB      SER   6  15.823   8.537  -0.862
   30    HG   SER   6           HG       SER   6  17.785   7.444  -1.452
   31    H    GLY   7           H        GLY   7  13.443  10.329  -1.991
   32    HA2  GLY   7           1HA      GLY   7  12.285   8.065  -3.244
   33    HA3  GLY   7           2HA      GLY   7  11.414   9.522  -2.750
   34    H    PHE   8           H        PHE   8  10.708   7.951  -4.922
   35    HA   PHE   8           HA       PHE   8  11.785   9.002  -7.403
   36    HB2  PHE   8           1HB      PHE   8   9.371   7.230  -6.881
   37    HB3  PHE   8           2HB      PHE   8  10.108   7.522  -8.448
   38    HD1  PHE   8           1HD      PHE   8  12.798   7.077  -8.484
   39    HD2  PHE   8           2HD      PHE   8   9.956   5.191  -5.841
   40    HE1  PHE   8           1HE      PHE   8  14.364   5.183  -8.149
   41    HE2  PHE   8           2HE      PHE   8  11.527   3.295  -5.518
   42    HZ   PHE   8           HZ       PHE   8  13.732   3.290  -6.663
   43    H    LEU   9           H        LEU   9  10.662  10.061  -9.057
   44    HA   LEU   9           HA       LEU   9   8.818  12.190  -8.168
   45    HB2  LEU   9           1HB      LEU   9  10.508  11.657 -10.636
   46    HB3  LEU   9           2HB      LEU   9   9.184  12.804 -10.695
   47    HG   LEU   9           HG       LEU   9  10.165  14.135  -8.878
   48   HD11  LEU   9          1HD1      LEU   9  11.502  12.520  -7.626
   49   HD12  LEU   9          2HD1      LEU   9  12.515  12.193  -9.054
   50   HD13  LEU   9          3HD1      LEU   9  12.568  13.777  -8.250
   51   HD21  LEU   9          3HD2      LEU   9  12.007  15.076 -10.223
   52   HD22  LEU   9          1HD2      LEU   9  12.058  13.599 -11.211
   53   HD23  LEU   9          2HD2      LEU   9  10.627  14.654 -11.247
   54    H    ASP  10           H        ASP  10   6.925  12.733  -9.383
   55    HA   ASP  10           HA       ASP  10   5.132  10.514  -9.835
   56    HB2  ASP  10           1HB      ASP  10   4.855  13.485 -10.399
   57    HB3  ASP  10           2HB      ASP  10   3.554  12.310 -10.554
   58    H    LYS  11           H        LYS  11   4.454   9.544 -11.664
   59    HA   LYS  11           HA       LYS  11   5.854  10.174 -14.188
   60    HB2  LYS  11           1HB      LYS  11   4.655   7.679 -12.945
   61    HB3  LYS  11           2HB      LYS  11   4.930   7.751 -14.670
   62    HG2  LYS  11           1HG      LYS  11   7.340   8.743 -13.495
   63    HG3  LYS  11           2HG      LYS  11   6.867   7.363 -12.507
   64    HD2  LYS  11           1HD      LYS  11   7.180   7.368 -15.545
   65    HD3  LYS  11           2HD      LYS  11   8.397   6.794 -14.393
   66    HE2  LYS  11           1HE      LYS  11   6.806   5.076 -13.546
   67    HE3  LYS  11           2HE      LYS  11   5.592   5.618 -14.711
   68    HZ1  LYS  11           3HZ      LYS  11   6.810   3.696 -15.537
   69    HZ2  LYS  11           1HZ      LYS  11   7.118   4.980 -16.499
   70    HZ3  LYS  11           2HZ      LYS  11   8.240   4.476 -15.419
   71    HA   PRO  12           HA       PRO  12   2.275  11.466 -16.337
   72    HB2  PRO  12           1HB      PRO  12   2.834  10.816 -18.930
   73    HB3  PRO  12           2HB      PRO  12   3.784  11.999 -18.003
   74    HG2  PRO  12           1HG      PRO  12   4.389   9.060 -18.487
   75    HG3  PRO  12           2HG      PRO  12   5.496  10.458 -18.682
   76    HD2  PRO  12           1HD      PRO  12   5.425   8.884 -16.422
   77    HD3  PRO  12           2HD      PRO  12   5.853  10.604 -16.363
   78    H    THR  13           H        THR  13   0.694  10.756 -18.123
   79    HA   THR  13           HA       THR  13  -0.082   7.978 -18.267
   80    HB   THR  13           HB       THR  13  -0.929   8.630 -16.008
   81    HG1  THR  13           1HG      THR  13  -2.103   7.071 -16.890
   82   HG21  THR  13          3HG2      THR  13  -2.674  10.200 -15.724
   83   HG22  THR  13          1HG2      THR  13  -1.438  11.055 -16.643
   84   HG23  THR  13          2HG2      THR  13  -2.884  10.438 -17.474
   85    H    LEU  14           H        LEU  14  -2.011   7.717 -19.541
   86    HA   LEU  14           HA       LEU  14  -2.126   9.643 -21.819
   87    HB2  LEU  14           1HB      LEU  14  -3.139   6.797 -21.462
   88    HB3  LEU  14           2HB      LEU  14  -3.152   7.683 -22.975
   89    HG   LEU  14           HG       LEU  14  -0.451   7.395 -21.640
   90   HD11  LEU  14          1HD1      LEU  14  -1.475   5.221 -21.240
   91   HD12  LEU  14          2HD1      LEU  14  -1.895   5.071 -22.963
   92   HD13  LEU  14          3HD1      LEU  14  -0.185   5.102 -22.458
   93   HD21  LEU  14          3HD2      LEU  14   0.297   7.117 -23.948
   94   HD22  LEU  14          1HD2      LEU  14  -1.383   7.083 -24.525
   95   HD23  LEU  14          2HD2      LEU  14  -0.716   8.567 -23.808
   96    H    LEU  15           H        LEU  15  -3.908   8.573 -19.093
   97    HA   LEU  15           HA       LEU  15  -6.577   9.084 -20.152
   98    HB2  LEU  15           1HB      LEU  15  -5.837   8.694 -17.240
   99    HB3  LEU  15           2HB      LEU  15  -7.384   8.417 -18.019
  100    HG   LEU  15           HG       LEU  15  -4.858   6.742 -18.309
  101   HD11  LEU  15          1HD1      LEU  15  -6.145   6.462 -16.208
  102   HD12  LEU  15          2HD1      LEU  15  -7.607   6.103 -17.155
  103   HD13  LEU  15          3HD1      LEU  15  -6.209   5.008 -17.219
  104   HD21  LEU  15          3HD2      LEU  15  -6.240   5.191 -19.691
  105   HD22  LEU  15          1HD2      LEU  15  -7.539   6.404 -19.730
  106   HD23  LEU  15          2HD2      LEU  15  -5.967   6.739 -20.494
  107    H    SER  16           H        SER  16  -8.033  10.242 -18.406
  108    HA   SER  16           HA       SER  16  -7.292  13.114 -18.408
  109    HB2  SER  16           1HB      SER  16  -9.816  11.474 -18.586
  110    HB3  SER  16           2HB      SER  16  -9.900  13.107 -18.032
  111    HG   SER  16           HG       SER  16 -10.164  12.929 -20.345
  112    HA   PRO  17           HA       PRO  17  -7.262  13.444 -14.002
  113    HB2  PRO  17           1HB      PRO  17  -8.667  15.755 -13.502
  114    HB3  PRO  17           2HB      PRO  17  -7.033  15.717 -14.230
  115    HG2  PRO  17           1HG      PRO  17  -9.702  15.909 -15.668
  116    HG3  PRO  17           2HG      PRO  17  -8.231  16.909 -15.920
  117    HD2  PRO  17           1HD      PRO  17  -8.770  14.818 -17.529
  118    HD3  PRO  17           2HD      PRO  17  -7.094  15.162 -17.003
  119    H    GLU  18           H        GLU  18 -10.393  13.413 -15.605
  120    HA   GLU  18           HA       GLU  18 -11.842  12.698 -13.157
  121    HB2  GLU  18           1HB      GLU  18 -13.822  12.660 -14.564
  122    HB3  GLU  18           2HB      GLU  18 -12.911  14.153 -14.767
  123    HG2  GLU  18           1HG      GLU  18 -11.962  13.303 -16.897
  124    HG3  GLU  18           2HG      GLU  18 -12.854  11.790 -16.699
  125    H    GLU  19           H        GLU  19  -9.969  10.886 -15.349
  126    HA   GLU  19           HA       GLU  19 -11.477   8.358 -15.025
  127    HB2  GLU  19           1HB      GLU  19  -8.932   9.168 -16.456
  128    HB3  GLU  19           2HB      GLU  19  -9.341   7.493 -16.204
  129    HG2  GLU  19           1HG      GLU  19 -11.047   9.531 -17.694
  130    HG3  GLU  19           2HG      GLU  19  -9.953   8.367 -18.437
  131    H    LEU  20           H        LEU  20  -8.295   9.711 -14.299
  132    HA   LEU  20           HA       LEU  20  -7.188   7.612 -12.765
  133    HB2  LEU  20           1HB      LEU  20  -6.713  10.607 -12.514
  134    HB3  LEU  20           2HB      LEU  20  -5.589   9.364 -11.999
  135    HG   LEU  20           HG       LEU  20  -6.423   9.465 -14.922
  136   HD11  LEU  20          1HD1      LEU  20  -5.888  11.756 -14.172
  137   HD12  LEU  20          2HD1      LEU  20  -4.267  11.205 -13.694
  138   HD13  LEU  20          3HD1      LEU  20  -4.777  11.129 -15.407
  139   HD21  LEU  20          3HD2      LEU  20  -4.234   8.521 -15.301
  140   HD22  LEU  20          1HD2      LEU  20  -3.790   8.718 -13.594
  141   HD23  LEU  20          2HD2      LEU  20  -5.056   7.559 -14.064
  142    H    LYS  21           H        LYS  21  -8.802  10.596 -11.644
  143    HA   LYS  21           HA       LYS  21  -8.916   9.850  -8.857
  144    HB2  LYS  21           1HB      LYS  21 -10.415  11.828 -10.577
  145    HB3  LYS  21           2HB      LYS  21 -10.989  11.489  -8.956
  146    HG2  LYS  21           1HG      LYS  21  -9.529  13.475  -9.073
  147    HG3  LYS  21           2HG      LYS  21  -9.007  12.252  -7.914
  148    HD2  LYS  21           1HD      LYS  21  -7.173  11.553  -9.342
  149    HD3  LYS  21           2HD      LYS  21  -7.805  12.493 -10.692
  150    HE2  LYS  21           1HE      LYS  21  -5.940  13.691  -9.782
  151    HE3  LYS  21           2HE      LYS  21  -7.410  14.598  -9.429
  152    HZ1  LYS  21           3HZ      LYS  21  -5.936  14.469  -7.504
  153    HZ2  LYS  21           1HZ      LYS  21  -7.336  13.705  -7.163
  154    HZ3  LYS  21           2HZ      LYS  21  -5.987  12.839  -7.501
  155    H    ALA  22           H        ALA  22 -11.185   9.078 -11.523
  156    HA   ALA  22           HA       ALA  22 -13.218   7.991  -9.779
  157    HB1  ALA  22           1HB      ALA  22 -13.785   8.829 -11.980
  158    HB2  ALA  22           2HB      ALA  22 -12.746   7.608 -12.761
  159    HB3  ALA  22           3HB      ALA  22 -14.200   7.115 -11.871
  160    H    ALA  23           H        ALA  23 -10.297   6.521 -11.143
  161    HA   ALA  23           HA       ALA  23 -10.874   3.792 -10.645
  162    HB1  ALA  23           1HB      ALA  23  -8.801   4.719 -11.750
  163    HB2  ALA  23           2HB      ALA  23  -8.248   5.244 -10.131
  164    HB3  ALA  23           3HB      ALA  23  -8.460   3.525 -10.472
  165    H    SER  24           H        SER  24 -10.227   6.372  -8.345
  166    HA   SER  24           HA       SER  24 -10.175   4.447  -6.075
  167    HB2  SER  24           1HB      SER  24  -8.395   6.126  -6.159
  168    HB3  SER  24           2HB      SER  24  -9.599   7.427  -6.164
  169    HG   SER  24           HG       SER  24  -8.763   6.995  -4.049
  170    H    ARG  25           H        ARG  25 -11.811   7.521  -6.979
  171    HA   ARG  25           HA       ARG  25 -13.716   7.486  -4.899
  172    HB2  ARG  25           1HB      ARG  25 -13.554   8.944  -7.563
  173    HB3  ARG  25           2HB      ARG  25 -14.734   9.289  -6.330
  174    HG2  ARG  25           1HG      ARG  25 -11.717   9.609  -6.123
  175    HG3  ARG  25           2HG      ARG  25 -12.921  10.886  -6.218
  176    HD2  ARG  25           1HD      ARG  25 -12.496   8.969  -3.899
  177    HD3  ARG  25           2HD      ARG  25 -12.059  10.677  -3.973
  178    HE   ARG  25           HE       ARG  25 -14.726  10.801  -4.464
  179   HH11  ARG  25          1HH1      ARG  25 -12.942   9.272  -1.818
  180   HH12  ARG  25          2HH1      ARG  25 -14.274   9.425  -0.713
  181   HH21  ARG  25          1HH2      ARG  25 -16.406  10.957  -2.991
  182   HH22  ARG  25          2HH2      ARG  25 -16.201  10.376  -1.368
  183    H    GLY  26           H        GLY  26 -13.795   5.705  -7.843
  184    HA2  GLY  26           1HA      GLY  26 -16.617   5.474  -8.268
  185    HA3  GLY  26           2HA      GLY  26 -15.359   4.344  -8.822
  186    H    ASN  27           H        ASN  27 -14.624   4.029  -5.810
  187    HA   ASN  27           HA       ASN  27 -17.065   2.800  -4.716
  188    HB2  ASN  27           1HB      ASN  27 -16.032   0.951  -5.985
  189    HB3  ASN  27           2HB      ASN  27 -14.530   1.166  -5.085
  190   HD21  ASN  27          2HD2      ASN  27 -14.387  -0.625  -3.757
  191   HD22  ASN  27          1HD2      ASN  27 -15.600  -0.983  -2.530
  192    H    GLY  28           H        GLY  28 -13.641   3.755  -4.084
  193    HA2  GLY  28           1HA      GLY  28 -12.960   5.105  -2.329
  194    HA3  GLY  28           2HA      GLY  28 -14.526   4.886  -1.512
  195    H    GLU  29           H        GLU  29 -13.109   1.947  -2.414
  196    HA   GLU  29           HA       GLU  29 -12.256   1.176   0.295
  197    HB2  GLU  29           1HB      GLU  29 -13.096  -0.149  -2.124
  198    HB3  GLU  29           2HB      GLU  29 -11.485  -0.655  -1.767
  199    HG2  GLU  29           1HG      GLU  29 -13.008  -2.188  -0.653
  200    HG3  GLU  29           2HG      GLU  29 -12.248  -1.216   0.600
  201    H    TYR  30           H        TYR  30 -10.093  -0.241   0.148
  202    HA   TYR  30           HA       TYR  30  -7.928   0.744  -1.450
  203    HB2  TYR  30           1HB      TYR  30  -6.648   1.894   0.229
  204    HB3  TYR  30           2HB      TYR  30  -8.190   2.699   0.039
  205    HD1  TYR  30           2HD      TYR  30 -10.073   2.093   1.735
  206    HD2  TYR  30           1HD      TYR  30  -5.940   1.035   2.328
  207    HE1  TYR  30           2HE      TYR  30 -10.504   1.790   4.181
  208    HE2  TYR  30           1HE      TYR  30  -6.366   0.687   4.761
  209    HH   TYR  30           HH       TYR  30  -9.601   1.219   6.224
  210    H    ALA  31           H        ALA  31  -6.028  -0.344  -1.164
  211    HA   ALA  31           HA       ALA  31  -5.618  -2.286   1.003
  212    HB1  ALA  31           1HB      ALA  31  -6.864  -3.711  -0.434
  213    HB2  ALA  31           2HB      ALA  31  -6.135  -3.046  -1.904
  214    HB3  ALA  31           3HB      ALA  31  -5.183  -4.086  -0.810
  215    H    TRP  32           H        TRP  32  -3.484  -3.122   1.022
  216    HA   TRP  32           HA       TRP  32  -1.466  -1.656  -0.624
  217    HB2  TRP  32           1HB      TRP  32  -1.360  -2.421   2.313
  218    HB3  TRP  32           2HB      TRP  32   0.068  -2.069   1.358
  219    HD1  TRP  32           HD       TRP  32  -3.229  -0.203   2.182
  220    HE1  TRP  32           1HE      TRP  32  -2.737   2.300   2.352
  221    HE3  TRP  32           3HE      TRP  32   1.794  -0.294   1.108
  222    HZ2  TRP  32           2HZ      TRP  32  -0.393   4.006   2.361
  223    HZ3  TRP  32           3HZ      TRP  32   3.110   1.804   1.201
  224    HH2  TRP  32           HH       TRP  32   2.034   3.949   1.823
  225    H    TYR  33           H        TYR  33   0.232  -2.839  -1.387
  226    HA   TYR  33           HA       TYR  33   0.201  -5.796  -1.021
  227    HB2  TYR  33           1HB      TYR  33   0.222  -4.293  -3.663
  228    HB3  TYR  33           2HB      TYR  33   0.610  -5.993  -3.497
  229    HD1  TYR  33           2HD      TYR  33  -2.162  -3.515  -3.026
  230    HD2  TYR  33           1HD      TYR  33  -1.053  -7.645  -3.618
  231    HE1  TYR  33           2HE      TYR  33  -4.554  -4.106  -3.347
  232    HE2  TYR  33           1HE      TYR  33  -3.452  -8.239  -3.920
  233    HH   TYR  33           HH       TYR  33  -6.056  -5.768  -3.856
  234    H    TYR  34           H        TYR  34   2.159  -6.854  -1.524
  235    HA   TYR  34           HA       TYR  34   4.576  -5.189  -2.018
  236    HB2  TYR  34           1HB      TYR  34   5.803  -6.321  -0.316
  237    HB3  TYR  34           2HB      TYR  34   4.393  -5.573   0.406
  238    HD1  TYR  34           2HD      TYR  34   2.422  -7.013   1.108
  239    HD2  TYR  34           1HD      TYR  34   6.168  -8.700  -0.199
  240    HE1  TYR  34           2HE      TYR  34   1.799  -9.185   2.142
  241    HE2  TYR  34           1HE      TYR  34   5.556 -10.873   0.836
  242    HH   TYR  34           HH       TYR  34   3.967 -12.049   2.021
  243    H    GLU  35           H        GLU  35   6.274  -6.269  -3.138
  244    HA   GLU  35           HA       GLU  35   5.435  -8.645  -4.673
  245    HB2  GLU  35           1HB      GLU  35   8.019  -7.043  -4.736
  246    HB3  GLU  35           2HB      GLU  35   7.672  -8.475  -5.719
  247    HG2  GLU  35           1HG      GLU  35   5.544  -7.206  -6.495
  248    HG3  GLU  35           2HG      GLU  35   6.330  -5.769  -5.828
  249    H    GLY  36           H        GLY  36   5.426 -10.507  -3.674
  250    HA2  GLY  36           1HA      GLY  36   7.547 -11.357  -1.752
  251    HA3  GLY  36           2HA      GLY  36   6.037 -12.199  -2.124
  252    H    ARG  37           H        ARG  37   7.139 -14.150  -2.434
  253    HA   ARG  37           HA       ARG  37   9.354 -14.558  -4.162
  254    HB2  ARG  37           1HB      ARG  37   8.604 -16.085  -2.361
  255    HB3  ARG  37           2HB      ARG  37   7.170 -16.501  -3.308
  256    HG2  ARG  37           1HG      ARG  37   8.658 -17.444  -5.096
  257    HG3  ARG  37           2HG      ARG  37  10.069 -17.008  -4.125
  258    HD2  ARG  37           1HD      ARG  37   9.600 -19.370  -3.822
  259    HD3  ARG  37           2HD      ARG  37   9.284 -18.519  -2.316
  260    HE   ARG  37           HE       ARG  37   7.055 -19.085  -2.442
  261   HH11  ARG  37          1HH1      ARG  37   8.428 -19.750  -5.638
  262   HH12  ARG  37          2HH1      ARG  37   6.982 -20.540  -6.191
  263   HH21  ARG  37          1HH2      ARG  37   5.225 -20.100  -3.224
  264   HH22  ARG  37          2HH2      ARG  37   5.199 -20.736  -4.841
  265    H    ASN  38           H        ASN  38   5.869 -14.881  -4.820
  266    HA   ASN  38           HA       ASN  38   6.450 -15.556  -7.654
  267    HB2  ASN  38           1HB      ASN  38   5.308 -17.180  -6.120
  268    HB3  ASN  38           2HB      ASN  38   3.936 -16.086  -6.060
  269   HD21  ASN  38          2HD2      ASN  38   2.319 -17.028  -7.334
  270   HD22  ASN  38          1HD2      ASN  38   2.604 -17.697  -8.928
  271    H    GLY  39           H        GLY  39   5.067 -12.946  -5.890
  272    HA2  GLY  39           1HA      GLY  39   4.808 -11.132  -7.946
  273    HA3  GLY  39           2HA      GLY  39   3.263 -11.961  -7.970
  274    H    TRP  40           H        TRP  40   2.387  -9.792  -7.465
  275    HA   TRP  40           HA       TRP  40   2.783  -8.536  -4.929
  276    HB2  TRP  40           1HB      TRP  40   0.465  -8.452  -6.892
  277    HB3  TRP  40           2HB      TRP  40   0.659  -7.380  -5.513
  278    HD1  TRP  40           HD       TRP  40   1.654  -7.764  -9.072
  279    HE1  TRP  40           1HE      TRP  40   3.251  -5.912  -9.795
  280    HE3  TRP  40           3HE      TRP  40   2.752  -5.818  -4.472
  281    HZ2  TRP  40           2HZ      TRP  40   4.686  -3.708  -8.546
  282    HZ3  TRP  40           3HZ      TRP  40   4.228  -3.843  -4.267
  283    HH2  TRP  40           HH       TRP  40   5.178  -2.760  -6.284
  284    H    TRP  41           H        TRP  41   2.035  -9.006  -2.987
  285    HA   TRP  41           HA       TRP  41  -0.418 -10.676  -2.630
  286    HB2  TRP  41           1HB      TRP  41   2.177 -10.805  -1.045
  287    HB3  TRP  41           2HB      TRP  41   0.698 -11.687  -0.661
  288    HD1  TRP  41           HD       TRP  41   3.852 -12.237  -2.291
  289    HE1  TRP  41           1HE      TRP  41   3.813 -14.113  -4.054
  290    HE3  TRP  41           3HE      TRP  41  -1.211 -12.830  -2.714
  291    HZ2  TRP  41           2HZ      TRP  41   1.824 -15.505  -5.611
  292    HZ3  TRP  41           3HZ      TRP  41  -2.154 -14.374  -4.381
  293    HH2  TRP  41           HH       TRP  41  -0.658 -15.730  -5.846
  294    H    GLN  42           H        GLN  42  -1.793 -10.056  -0.980
  295    HA   GLN  42           HA       GLN  42  -1.653  -7.201  -0.397
  296    HB2  GLN  42           1HB      GLN  42  -3.696  -8.557  -1.207
  297    HB3  GLN  42           2HB      GLN  42  -3.821  -9.151   0.453
  298    HG2  GLN  42           1HG      GLN  42  -3.952  -6.718   1.206
  299    HG3  GLN  42           2HG      GLN  42  -3.974  -6.253  -0.495
  300   HE21  GLN  42          2HE2      GLN  42  -5.913  -6.919  -1.813
  301   HE22  GLN  42          1HE2      GLN  42  -7.398  -7.295  -0.954
  302    H    TYR  43           H        TYR  43  -1.397  -6.209   1.565
  303    HA   TYR  43           HA       TYR  43  -0.346  -7.626   3.877
  304    HB2  TYR  43           1HB      TYR  43  -1.251  -4.797   3.298
  305    HB3  TYR  43           2HB      TYR  43  -0.844  -5.297   4.932
  306    HD1  TYR  43           1HD      TYR  43   1.461  -6.045   5.514
  307    HD2  TYR  43           2HD      TYR  43   0.494  -4.377   1.671
  308    HE1  TYR  43           1HE      TYR  43   3.858  -5.549   5.129
  309    HE2  TYR  43           2HE      TYR  43   2.891  -3.856   1.276
  310    HH   TYR  43           HH       TYR  43   5.429  -4.769   3.632
  311    H    ASP  44           H        ASP  44  -1.301  -7.797   5.955
  312    HA   ASP  44           HA       ASP  44  -4.075  -8.577   6.094
  313    HB2  ASP  44           1HB      ASP  44  -2.327  -9.502   7.539
  314    HB3  ASP  44           2HB      ASP  44  -2.051  -7.923   8.275
  315    H    GLU  45           H        GLU  45  -5.782  -7.554   7.303
  316    HA   GLU  45           HA       GLU  45  -6.072  -4.781   6.587
  317    HB2  GLU  45           1HB      GLU  45  -8.240  -4.902   7.738
  318    HB3  GLU  45           2HB      GLU  45  -8.017  -6.173   6.544
  319    HG2  GLU  45           1HG      GLU  45  -7.938  -7.868   8.121
  320    HG3  GLU  45           2HG      GLU  45  -7.310  -6.841   9.396
  321    H    ARG  46           H        ARG  46  -4.929  -6.268   9.567
  322    HA   ARG  46           HA       ARG  46  -5.259  -3.781  11.116
  323    HB2  ARG  46           1HB      ARG  46  -3.631  -6.221  11.855
  324    HB3  ARG  46           2HB      ARG  46  -4.237  -4.957  12.922
  325    HG2  ARG  46           1HG      ARG  46  -5.706  -7.274  11.688
  326    HG3  ARG  46           2HG      ARG  46  -5.631  -6.781  13.368
  327    HD2  ARG  46           1HD      ARG  46  -7.207  -5.440  11.137
  328    HD3  ARG  46           2HD      ARG  46  -7.859  -6.466  12.412
  329    HE   ARG  46           HE       ARG  46  -6.585  -4.400  13.764
  330   HH11  ARG  46          1HH1      ARG  46  -9.234  -4.629  11.398
  331   HH12  ARG  46          2HH1      ARG  46  -9.979  -3.163  11.978
  332   HH21  ARG  46          1HH2      ARG  46  -7.619  -2.518  14.450
  333   HH22  ARG  46          2HH2      ARG  46  -9.088  -1.996  13.683
  334    H    THR  47           H        THR  47  -2.952  -5.101   8.927
  335    HA   THR  47           HA       THR  47  -0.729  -3.380   9.870
  336    HB   THR  47           HB       THR  47  -0.814  -5.465   7.655
  337    HG1  THR  47           1HG      THR  47   0.350  -6.643   9.263
  338   HG21  THR  47          3HG2      THR  47   1.701  -5.324   7.932
  339   HG22  THR  47          1HG2      THR  47   0.976  -3.863   7.231
  340   HG23  THR  47          2HG2      THR  47   1.451  -3.875   8.939
  341    H    SER  48           H        SER  48  -2.642  -3.896   6.834
  342    HA   SER  48           HA       SER  48  -1.372  -1.813   5.370
  343    HB2  SER  48           1HB      SER  48  -3.249  -1.985   3.843
  344    HB3  SER  48           2HB      SER  48  -2.699  -3.591   4.340
  345    HG   SER  48           HG       SER  48  -4.992  -3.437   4.407
  346    H    ARG  49           H        ARG  49  -4.079  -1.659   7.642
  347    HA   ARG  49           HA       ARG  49  -4.884   1.003   7.074
  348    HB2  ARG  49           1HB      ARG  49  -6.123   0.910   9.075
  349    HB3  ARG  49           2HB      ARG  49  -6.137  -0.693   8.373
  350    HG2  ARG  49           1HG      ARG  49  -5.784  -1.194  10.596
  351    HG3  ARG  49           2HG      ARG  49  -4.159  -1.240   9.954
  352    HD2  ARG  49           1HD      ARG  49  -4.322  -0.136  12.198
  353    HD3  ARG  49           2HD      ARG  49  -3.621   0.874  10.972
  354    HE   ARG  49           HE       ARG  49  -6.526   1.171  11.489
  355   HH11  ARG  49          1HH1      ARG  49  -3.312   2.585  12.087
  356   HH12  ARG  49          2HH1      ARG  49  -3.950   4.217  11.868
  357   HH21  ARG  49          1HH2      ARG  49  -7.213   3.357  11.385
  358   HH22  ARG  49          2HH2      ARG  49  -6.002   4.616  11.539
  359    H    GLU  50           H        GLU  50  -2.026  -0.167   8.755
  360    HA   GLU  50           HA       GLU  50  -1.524   2.359  10.173
  361    HB2  GLU  50           1HB      GLU  50   0.370   0.048   9.566
  362    HB3  GLU  50           2HB      GLU  50   0.699   1.380  10.655
  363    HG2  GLU  50           1HG      GLU  50  -1.624  -0.542  11.097
  364    HG3  GLU  50           2HG      GLU  50   0.003  -0.846  11.685
  365    H    LEU  51           H        LEU  51  -0.452   0.725   7.215
  366    HA   LEU  51           HA       LEU  51   1.444   2.667   6.279
  367    HB2  LEU  51           1HB      LEU  51  -0.248   0.747   4.628
  368    HB3  LEU  51           2HB      LEU  51   1.324   1.421   4.216
  369    HG   LEU  51           HG       LEU  51   0.783  -0.613   6.425
  370   HD11  LEU  51          1HD1      LEU  51   0.490  -1.512   4.153
  371   HD12  LEU  51          2HD1      LEU  51   2.134  -0.978   3.731
  372   HD13  LEU  51          3HD1      LEU  51   1.883  -2.214   4.987
  373   HD21  LEU  51          3HD2      LEU  51   3.267  -0.810   6.489
  374   HD22  LEU  51          1HD2      LEU  51   3.376   0.597   5.408
  375   HD23  LEU  51          2HD2      LEU  51   2.685   0.762   7.040
  376    H    GLU  52           H        GLU  52  -2.005   2.113   5.555
  377    HA   GLU  52           HA       GLU  52  -2.447   4.298   3.834
  378    HB2  GLU  52           1HB      GLU  52  -3.957   2.292   4.324
  379    HB3  GLU  52           2HB      GLU  52  -4.401   3.087   5.827
  380    HG2  GLU  52           1HG      GLU  52  -6.136   3.551   4.305
  381    HG3  GLU  52           2HG      GLU  52  -5.253   5.049   4.458
  382    H    ASP  53           H        ASP  53  -2.210   4.273   7.393
  383    HA   ASP  53           HA       ASP  53  -3.390   6.958   7.659
  384    HB2  ASP  53           1HB      ASP  53  -2.425   4.801   9.510
  385    HB3  ASP  53           2HB      ASP  53  -2.202   6.441  10.056
  386    H    ALA  54           H        ALA  54  -0.177   5.528   7.359
  387    HA   ALA  54           HA       ALA  54   1.278   7.677   8.522
  388    HB1  ALA  54           1HB      ALA  54   2.177   5.490   8.378
  389    HB2  ALA  54           2HB      ALA  54   2.009   5.438   6.615
  390    HB3  ALA  54           3HB      ALA  54   3.210   6.527   7.355
  391    H    PHE  55           H        PHE  55   0.591   7.095   5.015
  392    HA   PHE  55           HA       PHE  55   1.893   9.570   4.244
  393    HB2  PHE  55           1HB      PHE  55   1.386   9.071   2.095
  394    HB3  PHE  55           2HB      PHE  55   1.387   7.463   2.781
  395    HD1  PHE  55           1HD      PHE  55  -0.805   6.284   3.221
  396    HD2  PHE  55           2HD      PHE  55  -0.579  10.049   1.142
  397    HE1  PHE  55           1HE      PHE  55  -3.067   5.906   2.273
  398    HE2  PHE  55           2HE      PHE  55  -2.846   9.665   0.193
  399    HZ   PHE  55           HZ       PHE  55  -4.091   7.583   0.757
  400    H    SER  56           H        SER  56  -1.131   8.850   5.613
  401    HA   SER  56           HA       SER  56  -2.489  11.353   4.817
  402    HB2  SER  56           1HB      SER  56  -3.593   9.073   5.253
  403    HB3  SER  56           2HB      SER  56  -3.356   9.410   6.973
  404    HG   SER  56           HG       SER  56  -5.426  10.114   6.188
  405    H    LYS  57           H        LYS  57  -0.682  10.116   7.635
  406    HA   LYS  57           HA       LYS  57  -1.143  12.407   9.369
  407    HB2  LYS  57           1HB      LYS  57   0.861  10.128   9.270
  408    HB3  LYS  57           2HB      LYS  57   0.950  11.395  10.495
  409    HG2  LYS  57           1HG      LYS  57  -1.009  10.737  11.576
  410    HG3  LYS  57           2HG      LYS  57  -1.661   9.912  10.157
  411    HD2  LYS  57           1HD      LYS  57  -0.916   8.272  11.850
  412    HD3  LYS  57           2HD      LYS  57  -0.041   8.132  10.339
  413    HE2  LYS  57           1HE      LYS  57   1.721   7.953  11.780
  414    HE3  LYS  57           2HE      LYS  57   1.762   9.678  11.471
  415    HZ1  LYS  57           3HZ      LYS  57   1.892   9.255  13.853
  416    HZ2  LYS  57           1HZ      LYS  57   0.491  10.029  13.535
  417    HZ3  LYS  57           2HZ      LYS  57   0.487   8.424  13.844
  418    H    GLY  58           H        GLY  58   1.487  11.438   7.146
  419    HA2  GLY  58           1HA      GLY  58   2.427  13.306   5.771
  420    HA3  GLY  58           2HA      GLY  58   2.657  14.207   7.287
  421    H    LYS  59           H        LYS  59   3.360  11.059   8.159
  422    HA   LYS  59           HA       LYS  59   6.202  11.526   8.030
  423    HB2  LYS  59           1HB      LYS  59   6.346   9.134   8.861
  424    HB3  LYS  59           2HB      LYS  59   5.530  10.287   9.897
  425    HG2  LYS  59           1HG      LYS  59   3.372   9.423   9.415
  426    HG3  LYS  59           2HG      LYS  59   3.967   8.564   7.989
  427    HD2  LYS  59           1HD      LYS  59   3.502   7.035   9.869
  428    HD3  LYS  59           2HD      LYS  59   5.178   6.988   9.346
  429    HE2  LYS  59           1HE      LYS  59   5.799   8.489  11.262
  430    HE3  LYS  59           2HE      LYS  59   4.122   8.429  11.815
  431    HZ1  LYS  59           3HZ      LYS  59   5.427   6.780  12.977
  432    HZ2  LYS  59           1HZ      LYS  59   4.409   5.963  11.985
  433    HZ3  LYS  59           2HZ      LYS  59   5.983   6.126  11.590
  434    H    LYS  60           H        LYS  60   7.753  10.309   7.029
  435    HA   LYS  60           HA       LYS  60   7.098   9.665   4.204
  436    HB2  LYS  60           1HB      LYS  60   9.295  10.328   3.701
  437    HB3  LYS  60           2HB      LYS  60   8.696  11.486   4.873
  438    HG2  LYS  60           1HG      LYS  60   9.987  10.226   6.641
  439    HG3  LYS  60           2HG      LYS  60  10.675   9.222   5.346
  440    HD2  LYS  60           1HD      LYS  60  11.608  11.242   4.266
  441    HD3  LYS  60           2HD      LYS  60  10.905  12.257   5.545
  442    HE2  LYS  60           1HE      LYS  60  12.253  11.019   7.246
  443    HE3  LYS  60           2HE      LYS  60  12.979  10.050   5.955
  444    HZ1  LYS  60           3HZ      LYS  60  14.397  11.919   6.578
  445    HZ2  LYS  60           1HZ      LYS  60  13.904  12.107   5.032
  446    HZ3  LYS  60           2HZ      LYS  60  13.227  13.000   6.224
  447    H    ASN  61           H        ASN  61   7.495   7.926   6.974
  448    HA   ASN  61           HA       ASN  61   7.651   5.408   5.691
  449    HB2  ASN  61           1HB      ASN  61   9.716   4.507   6.527
  450    HB3  ASN  61           2HB      ASN  61  10.093   5.909   5.538
  451   HD21  ASN  61          2HD2      ASN  61  10.296   7.995   6.800
  452   HD22  ASN  61          1HD2      ASN  61  11.162   7.939   8.325
  453    H    THR  62           H        THR  62   6.953   3.812   7.055
  454    HA   THR  62           HA       THR  62   6.690   4.411   9.977
  455    HB   THR  62           HB       THR  62   4.580   4.957   8.679
  456    HG1  THR  62           1HG      THR  62   3.392   3.912  10.431
  457   HG21  THR  62          3HG2      THR  62   3.031   3.122   8.246
  458   HG22  THR  62          1HG2      THR  62   4.486   2.896   7.263
  459   HG23  THR  62          2HG2      THR  62   4.241   1.919   8.728
  460    H    GLU  63           H        GLU  63   5.832   2.395  11.165
  461    HA   GLU  63           HA       GLU  63   7.597   0.091  10.414
  462    HB2  GLU  63           1HB      GLU  63   7.098   1.484  13.072
  463    HB3  GLU  63           2HB      GLU  63   7.805  -0.135  12.957
  464    HG2  GLU  63           1HG      GLU  63   9.642   0.680  11.612
  465    HG3  GLU  63           2HG      GLU  63   8.975   2.315  11.575
  466    H    MET  64           H        MET  64   6.909  -1.938  10.825
  467    HA   MET  64           HA       MET  64   4.232  -2.469  11.972
  468    HB2  MET  64           1HB      MET  64   3.609  -3.727   9.881
  469    HB3  MET  64           2HB      MET  64   3.629  -1.971   9.716
  470    HG2  MET  64           1HG      MET  64   5.780  -2.037   8.584
  471    HG3  MET  64           2HG      MET  64   5.962  -3.756   8.921
  472    HE1  MET  64           3HE      MET  64   5.854  -3.589   5.139
  473    HE2  MET  64           1HE      MET  64   6.826  -3.163   6.554
  474    HE3  MET  64           2HE      MET  64   6.226  -4.835   6.354
  475    H    LEU  65           H        LEU  65   3.825  -4.561  12.505
  476    HA   LEU  65           HA       LEU  65   6.160  -6.378  12.715
  477    HB2  LEU  65           1HB      LEU  65   4.427  -5.392  14.675
  478    HB3  LEU  65           2HB      LEU  65   3.686  -6.924  14.295
  479    HG   LEU  65           HG       LEU  65   5.136  -7.123  16.185
  480   HD11  LEU  65          1HD1      LEU  65   5.060  -9.092  14.708
  481   HD12  LEU  65          2HD1      LEU  65   6.546  -8.529  13.906
  482   HD13  LEU  65          3HD1      LEU  65   6.576  -8.965  15.617
  483   HD21  LEU  65          3HD2      LEU  65   7.508  -6.639  16.165
  484   HD22  LEU  65          1HD2      LEU  65   7.458  -6.236  14.437
  485   HD23  LEU  65          2HD2      LEU  65   6.604  -5.211  15.609
  486    H    ILE  66           H        ILE  66   6.041  -8.408  12.058
  487    HA   ILE  66           HA       ILE  66   3.634  -9.350  10.504
  488    HB   ILE  66           HB       ILE  66   5.019 -10.289   8.844
  489   HG12  ILE  66          1HG1      ILE  66   7.573  -9.007   9.405
  490   HG13  ILE  66          2HG1      ILE  66   7.156 -10.030  10.759
  491   HG21  ILE  66          1HG2      ILE  66   4.222  -7.938   8.667
  492   HG22  ILE  66          2HG2      ILE  66   5.810  -7.379   9.227
  493   HG23  ILE  66          3HG2      ILE  66   5.661  -8.300   7.713
  494   HD11  ILE  66          3HD1      ILE  66   8.485 -11.102   8.843
  495   HD12  ILE  66          1HD1      ILE  66   7.102 -12.006   9.466
  496   HD13  ILE  66          2HD1      ILE  66   6.961 -11.111   7.945
  497    H    ALA  67           H        ALA  67   4.930 -11.917   9.889
  498    HA   ALA  67           HA       ALA  67   3.959 -13.519  11.970
  499    HB1  ALA  67           1HB      ALA  67   4.308 -14.183   9.585
  500    HB2  ALA  67           2HB      ALA  67   6.072 -14.131   9.843
  501    HB3  ALA  67           3HB      ALA  67   5.082 -15.326  10.701
  502    H    GLY  68           H        GLY  68   7.044 -11.920  11.909
  503    HA2  GLY  68           1HA      GLY  68   7.744 -12.759  14.549
  504    HA3  GLY  68           2HA      GLY  68   8.652 -13.721  13.401
  505    H    PHE  69           H        PHE  69   8.001 -10.394  12.452
  506    HA   PHE  69           HA       PHE  69  10.699  -9.469  13.218
  507    HB2  PHE  69           1HB      PHE  69   9.826  -9.868  10.323
  508    HB3  PHE  69           2HB      PHE  69  11.255  -9.004  10.824
  509    HD1  PHE  69           1HD      PHE  69  13.129 -10.220  12.020
  510    HD2  PHE  69           2HD      PHE  69   9.858 -12.305  10.120
  511    HE1  PHE  69           1HE      PHE  69  14.506 -12.283  11.897
  512    HE2  PHE  69           2HE      PHE  69  11.238 -14.355   9.999
  513    HZ   PHE  69           HZ       PHE  69  13.565 -14.351  10.881
  514    H    LEU  70           H        LEU  70  11.065  -7.271  12.876
  515    HA   LEU  70           HA       LEU  70   8.681  -5.545  12.429
  516    HB2  LEU  70           1HB      LEU  70  10.266  -5.324  14.471
  517    HB3  LEU  70           2HB      LEU  70  11.466  -4.758  13.324
  518    HG   LEU  70           HG       LEU  70  10.548  -2.907  14.464
  519   HD11  LEU  70          1HD1      LEU  70  10.912  -2.635  11.941
  520   HD12  LEU  70          2HD1      LEU  70   9.136  -2.679  11.808
  521   HD13  LEU  70          3HD1      LEU  70   9.921  -1.423  12.765
  522   HD21  LEU  70          3HD2      LEU  70   8.163  -2.259  14.393
  523   HD22  LEU  70          1HD2      LEU  70   7.775  -3.812  13.625
  524   HD23  LEU  70          2HD2      LEU  70   8.457  -3.772  15.266
  525    H    TYR  71           H        TYR  71   8.428  -4.681  10.531
  526    HA   TYR  71           HA       TYR  71  10.745  -4.254   8.678
  527    HB2  TYR  71           1HB      TYR  71   7.878  -4.909   7.989
  528    HB3  TYR  71           2HB      TYR  71   9.080  -4.387   6.814
  529    HD1  TYR  71           1HD      TYR  71  11.490  -6.036   7.739
  530    HD2  TYR  71           2HD      TYR  71   7.341  -7.050   7.131
  531    HE1  TYR  71           1HE      TYR  71  12.100  -8.418   7.388
  532    HE2  TYR  71           2HE      TYR  71   7.937  -9.408   6.894
  533    HH   TYR  71           HH       TYR  71   9.696 -10.978   6.805
  534    H    VAL  72           H        VAL  72  11.065  -2.323   7.877
  535    HA   VAL  72           HA       VAL  72   9.344  -0.039   8.693
  536    HB   VAL  72           HB       VAL  72  11.988   0.044   7.197
  537   HG11  VAL  72          1HG1      VAL  72  10.586   2.084   6.970
  538   HG12  VAL  72          2HG1      VAL  72  10.456   2.187   8.743
  539   HG13  VAL  72          3HG1      VAL  72  12.027   2.404   7.945
  540   HG21  VAL  72          3HG2      VAL  72  13.026   0.709   9.354
  541   HG22  VAL  72          1HG2      VAL  72  11.513   0.289  10.186
  542   HG23  VAL  72          2HG2      VAL  72  12.459  -0.962   9.344
  543    H    ALA  73           H        ALA  73   7.872   0.645   7.259
  544    HA   ALA  73           HA       ALA  73   8.071  -0.054   4.359
  545    HB1  ALA  73           1HB      ALA  73   5.968  -0.697   5.451
  546    HB2  ALA  73           2HB      ALA  73   5.749   0.964   6.047
  547    HB3  ALA  73           3HB      ALA  73   5.696   0.629   4.301
  548    H    ASP  74           H        ASP  74   9.222   1.430   3.311
  549    HA   ASP  74           HA       ASP  74   9.243   4.284   4.098
  550    HB2  ASP  74           1HB      ASP  74  11.363   3.146   3.530
  551    HB3  ASP  74           2HB      ASP  74  10.744   2.811   1.914
  552    H    LEU  75           H        LEU  75   7.887   5.675   3.255
  553    HA   LEU  75           HA       LEU  75   5.981   4.836   1.173
  554    HB2  LEU  75           1HB      LEU  75   6.150   7.065   3.231
  555    HB3  LEU  75           2HB      LEU  75   5.013   7.156   1.908
  556    HG   LEU  75           HG       LEU  75   3.842   5.197   2.611
  557   HD11  LEU  75          1HD1      LEU  75   5.551   3.763   3.582
  558   HD12  LEU  75          2HD1      LEU  75   5.702   4.885   4.963
  559   HD13  LEU  75          3HD1      LEU  75   4.189   4.005   4.678
  560   HD21  LEU  75          3HD2      LEU  75   2.801   6.126   4.552
  561   HD22  LEU  75          1HD2      LEU  75   4.308   6.915   5.080
  562   HD23  LEU  75          2HD2      LEU  75   3.447   7.506   3.656
  563    H    GLU  76           H        GLU  76   8.897   6.631   1.210
  564    HA   GLU  76           HA       GLU  76   8.168   8.543  -0.911
  565    HB2  GLU  76           1HB      GLU  76  10.817   7.862   0.439
  566    HB3  GLU  76           2HB      GLU  76  10.581   9.146  -0.732
  567    HG2  GLU  76           1HG      GLU  76   9.193   8.951   1.967
  568    HG3  GLU  76           2HG      GLU  76  10.612   9.931   1.640
  569    H    ASN  77           H        ASN  77  10.211   5.660  -0.556
  570    HA   ASN  77           HA       ASN  77  10.686   5.452  -3.482
  571    HB2  ASN  77           1HB      ASN  77  11.716   3.830  -1.115
  572    HB3  ASN  77           2HB      ASN  77  12.236   3.650  -2.790
  573   HD21  ASN  77          2HD2      ASN  77  12.304   5.814   0.054
  574   HD22  ASN  77          1HD2      ASN  77  13.678   6.761  -0.510
  575    H    MET  78           H        MET  78   8.456   4.433  -1.178
  576    HA   MET  78           HA       MET  78   6.901   2.778  -0.908
  577    HB2  MET  78           1HB      MET  78   7.017   2.546  -3.928
  578    HB3  MET  78           2HB      MET  78   5.769   1.894  -2.863
  579    HG2  MET  78           1HG      MET  78   6.120   4.762  -2.380
  580    HG3  MET  78           2HG      MET  78   5.862   4.434  -4.082
  581    HE1  MET  78           3HE      MET  78   2.884   3.579  -0.666
  582    HE2  MET  78           1HE      MET  78   4.459   2.763  -0.742
  583    HE3  MET  78           2HE      MET  78   4.377   4.530  -0.534
  584    H    VAL  79           H        VAL  79   8.781   1.690   0.171
  585    HA   VAL  79           HA       VAL  79   9.038  -1.066  -0.909
  586    HB   VAL  79           HB       VAL  79  11.464  -1.208  -0.442
  587   HG11  VAL  79          1HG1      VAL  79  10.709  -0.814  -2.762
  588   HG12  VAL  79          2HG1      VAL  79  10.901   0.936  -2.512
  589   HG13  VAL  79          3HG1      VAL  79  12.308  -0.139  -2.423
  590   HG21  VAL  79          3HG2      VAL  79  12.829   0.815  -0.171
  591   HG22  VAL  79          1HG2      VAL  79  11.370   1.812  -0.112
  592   HG23  VAL  79          2HG2      VAL  79  11.703   0.622   1.167
  593    H    GLN  80           H        GLN  80   9.981  -2.596   0.656
  594    HA   GLN  80           HA       GLN  80   9.712  -1.759   3.501
  595    HB2  GLN  80           1HB      GLN  80   8.912  -3.992   4.054
  596    HB3  GLN  80           2HB      GLN  80   7.799  -3.178   2.953
  597    HG2  GLN  80           1HG      GLN  80   8.477  -4.511   1.087
  598    HG3  GLN  80           2HG      GLN  80   9.932  -5.080   1.906
  599   HE21  GLN  80          2HE2      GLN  80   9.481  -6.387   4.057
  600   HE22  GLN  80          1HE2      GLN  80   8.260  -7.622   3.781
  601    H    TYR  81           H        TYR  81  11.191  -2.595   4.959
  602    HA   TYR  81           HA       TYR  81  13.140  -4.633   4.318
  603    HB2  TYR  81           1HB      TYR  81  15.129  -3.092   4.656
  604    HB3  TYR  81           2HB      TYR  81  14.324  -3.020   3.115
  605    HD1  TYR  81           2HD      TYR  81  14.373  -1.232   6.449
  606    HD2  TYR  81           1HD      TYR  81  13.735  -0.945   2.195
  607    HE1  TYR  81           2HE      TYR  81  14.278   1.230   6.640
  608    HE2  TYR  81           1HE      TYR  81  13.644   1.532   2.379
  609    HH   TYR  81           HH       TYR  81  14.051   3.228   5.519
  610    H    ARG  82           H        ARG  82  14.618  -5.096   6.164
  611    HA   ARG  82           HA       ARG  82  13.411  -4.655   8.806
  612    HB2  ARG  82           1HB      ARG  82  16.059  -5.906   7.945
  613    HB3  ARG  82           2HB      ARG  82  15.519  -5.770   9.623
  614    HG2  ARG  82           1HG      ARG  82  13.467  -7.070   9.065
  615    HG3  ARG  82           2HG      ARG  82  14.093  -7.302   7.417
  616    HD2  ARG  82           1HD      ARG  82  16.046  -8.515   8.303
  617    HD3  ARG  82           2HD      ARG  82  15.536  -8.168   9.957
  618    HE   ARG  82           HE       ARG  82  13.959  -9.838   9.877
  619   HH11  ARG  82          1HH1      ARG  82  15.119  -9.463   6.505
  620   HH12  ARG  82          2HH1      ARG  82  14.314 -10.977   6.074
  621   HH21  ARG  82          1HH2      ARG  82  13.007 -11.754   9.061
  622   HH22  ARG  82          2HH2      ARG  82  13.246 -12.103   7.344
  623    H    ARG  83           H        ARG  83  14.366  -3.431  10.533
  624    HA   ARG  83           HA       ARG  83  14.929  -0.806   9.849
  625    HB2  ARG  83           1HB      ARG  83  15.726  -2.106  12.484
  626    HB3  ARG  83           2HB      ARG  83  15.437  -0.389  12.182
  627    HG2  ARG  83           1HG      ARG  83  13.043  -0.990  11.560
  628    HG3  ARG  83           2HG      ARG  83  13.388  -2.638  12.103
  629    HD2  ARG  83           1HD      ARG  83  12.322  -1.607  13.904
  630    HD3  ARG  83           2HD      ARG  83  14.023  -1.623  14.371
  631    HE   ARG  83           HE       ARG  83  12.339   0.702  13.500
  632   HH11  ARG  83          1HH1      ARG  83  15.474  -0.219  14.913
  633   HH12  ARG  83          2HH1      ARG  83  15.791   1.428  15.374
  634   HH21  ARG  83          1HH2      ARG  83  12.747   2.604  14.102
  635   HH22  ARG  83          2HH2      ARG  83  14.243   3.071  14.911
  636    H    ASN  84           H        ASN  84  17.331  -3.310  10.190
  637    HA   ASN  84           HA       ASN  84  19.620  -1.436  10.149
  638    HB2  ASN  84           1HB      ASN  84  20.915  -3.318  10.780
  639    HB3  ASN  84           2HB      ASN  84  19.459  -3.340  11.765
  640   HD21  ASN  84          2HD2      ASN  84  21.308  -4.998   9.340
  641   HD22  ASN  84          1HD2      ASN  84  20.272  -6.415   9.205
  642    H    GLU  85           H        GLU  85  17.731  -2.683   7.696
  643    HA   GLU  85           HA       GLU  85  20.020  -3.290   5.875
  644    HB2  GLU  85           1HB      GLU  85  18.769  -5.280   6.722
  645    HB3  GLU  85           2HB      GLU  85  17.286  -4.627   6.034
  646    HG2  GLU  85           1HG      GLU  85  18.326  -6.405   4.651
  647    HG3  GLU  85           2HG      GLU  85  18.134  -4.894   3.778
  648    H    HIS  86           H        HIS  86  19.699  -2.901   3.631
  649    HA   HIS  86           HA       HIS  86  17.349  -1.376   2.705
  650    HB2  HIS  86           1HB      HIS  86  18.639   0.419   3.575
  651    HB3  HIS  86           2HB      HIS  86  20.147  -0.240   2.956
  652    HD2  HIS  86           2HD      HIS  86  20.792   0.127   0.479
  653    HE1  HIS  86           1HE      HIS  86  17.590   2.719  -0.627
  654    HE2  HIS  86           2HE      HIS  86  19.850   1.790  -1.359
  655    H    GLY  87           H        GLY  87  20.353  -3.114   1.976
  656    HA2  GLY  87           1HA      GLY  87  20.243  -2.777  -0.900
  657    HA3  GLY  87           2HA      GLY  87  21.281  -3.897   0.011
  658    H    ARG  88           H        ARG  88  18.485  -4.860   1.141
  659    HA   ARG  88           HA       ARG  88  17.790  -6.709  -1.108
  660    HB2  ARG  88           1HB      ARG  88  17.832  -7.368   1.868
  661    HB3  ARG  88           2HB      ARG  88  17.380  -8.442   0.551
  662    HG2  ARG  88           1HG      ARG  88  19.516  -9.148   0.925
  663    HG3  ARG  88           2HG      ARG  88  19.785  -7.996  -0.386
  664    HD2  ARG  88           1HD      ARG  88  20.453  -6.284   1.331
  665    HD3  ARG  88           2HD      ARG  88  20.149  -7.472   2.596
  666    HE   ARG  88           HE       ARG  88  21.963  -8.721   0.937
  667   HH11  ARG  88          1HH1      ARG  88  22.024  -5.627   2.704
  668   HH12  ARG  88          2HH1      ARG  88  23.762  -5.558   2.664
  669   HH21  ARG  88          1HH2      ARG  88  24.200  -8.577   1.003
  670   HH22  ARG  88          2HH2      ARG  88  24.971  -7.215   1.754
  671    H    ARG  89           H        ARG  89  16.605  -4.096  -0.010
  672    HA   ARG  89           HA       ARG  89  14.046  -4.405   1.061
  673    HB2  ARG  89           1HB      ARG  89  13.551  -2.216   0.141
  674    HB3  ARG  89           2HB      ARG  89  15.179  -2.268   0.801
  675    HG2  ARG  89           1HG      ARG  89  16.002  -2.660  -1.613
  676    HG3  ARG  89           2HG      ARG  89  14.354  -2.263  -2.126
  677    HD2  ARG  89           1HD      ARG  89  14.545  -0.052  -1.062
  678    HD3  ARG  89           2HD      ARG  89  16.165  -0.424  -0.492
  679    HE   ARG  89           HE       ARG  89  15.337   0.352  -3.179
  680   HH11  ARG  89          1HH1      ARG  89  17.948  -1.254  -1.408
  681   HH12  ARG  89          2HH1      ARG  89  19.083  -1.024  -2.714
  682   HH21  ARG  89          1HH2      ARG  89  16.860   0.649  -4.787
  683   HH22  ARG  89          2HH2      ARG  89  18.478   0.057  -4.583
  684    H    ARG  90           H        ARG  90  11.969  -4.570   0.265
  685    HA   ARG  90           HA       ARG  90  11.609  -5.677  -2.516
  686    HB2  ARG  90           1HB      ARG  90  10.146  -6.330   0.067
  687    HB3  ARG  90           2HB      ARG  90   9.509  -6.728  -1.527
  688    HG2  ARG  90           1HG      ARG  90  11.456  -8.115  -2.018
  689    HG3  ARG  90           2HG      ARG  90  12.188  -7.710  -0.452
  690    HD2  ARG  90           1HD      ARG  90  10.415  -8.804   0.766
  691    HD3  ARG  90           2HD      ARG  90   9.440  -9.014  -0.684
  692    HE   ARG  90           HE       ARG  90  11.669 -10.690   0.211
  693   HH11  ARG  90          1HH1      ARG  90   9.681  -9.925  -2.643
  694   HH12  ARG  90          2HH1      ARG  90  10.294 -11.308  -3.502
  695   HH21  ARG  90          1HH2      ARG  90  12.265 -12.390  -0.807
  696   HH22  ARG  90          2HH2      ARG  90  11.759 -12.762  -2.448
  697    H    LYS  91           H        LYS  91  10.041  -4.806  -3.791
  698    HA   LYS  91           HA       LYS  91   9.086  -2.143  -3.277
  699    HB2  LYS  91           1HB      LYS  91   8.960  -4.193  -5.437
  700    HB3  LYS  91           2HB      LYS  91   7.567  -3.145  -5.385
  701    HG2  LYS  91           1HG      LYS  91  10.411  -2.068  -5.431
  702    HG3  LYS  91           2HG      LYS  91   9.502  -2.426  -6.900
  703    HD2  LYS  91           1HD      LYS  91   8.531  -0.510  -4.758
  704    HD3  LYS  91           2HD      LYS  91   9.440   0.001  -6.172
  705    HE2  LYS  91           1HE      LYS  91   7.706  -0.522  -7.666
  706    HE3  LYS  91           2HE      LYS  91   6.915  -1.627  -6.545
  707    HZ1  LYS  91           3HZ      LYS  91   5.754   0.517  -6.764
  708    HZ2  LYS  91           1HZ      LYS  91   6.179   0.213  -5.219
  709    HZ3  LYS  91           2HZ      LYS  91   7.036   1.299  -6.119
  710    H    ILE  92           H        ILE  92   7.151  -1.301  -2.726
  711    HA   ILE  92           HA       ILE  92   4.828  -3.119  -2.304
  712    HB   ILE  92           HB       ILE  92   4.088  -2.069  -0.351
  713   HG12  ILE  92          1HG1      ILE  92   6.240  -0.017  -0.772
  714   HG13  ILE  92          2HG1      ILE  92   4.501   0.223  -0.812
  715   HG21  ILE  92          1HG2      ILE  92   5.907  -3.758  -0.083
  716   HG22  ILE  92          2HG2      ILE  92   7.072  -2.426   0.087
  717   HG23  ILE  92          3HG2      ILE  92   5.755  -2.623   1.262
  718   HD11  ILE  92          3HD1      ILE  92   5.405   1.155   1.214
  719   HD12  ILE  92          1HD1      ILE  92   4.433  -0.274   1.647
  720   HD13  ILE  92          2HD1      ILE  92   6.213  -0.356   1.638
  721    H    LYS  93           H        LYS  93   2.742  -1.886  -2.282
  722    HA   LYS  93           HA       LYS  93   2.661   0.691  -3.647
  723    HB2  LYS  93           1HB      LYS  93   1.437   0.016  -5.596
  724    HB3  LYS  93           2HB      LYS  93   2.919  -0.928  -5.561
  725    HG2  LYS  93           1HG      LYS  93   1.722  -2.903  -4.789
  726    HG3  LYS  93           2HG      LYS  93   0.236  -1.986  -4.542
  727    HD2  LYS  93           1HD      LYS  93   0.042  -1.524  -6.926
  728    HD3  LYS  93           2HD      LYS  93   1.526  -2.454  -7.252
  729    HE2  LYS  93           1HE      LYS  93   0.523  -4.506  -6.537
  730    HE3  LYS  93           2HE      LYS  93  -0.823  -3.673  -5.744
  731    HZ1  LYS  93           3HZ      LYS  93  -1.427  -4.674  -7.901
  732    HZ2  LYS  93           1HZ      LYS  93  -1.731  -3.076  -7.841
  733    HZ3  LYS  93           2HZ      LYS  93  -0.425  -3.638  -8.678
  734    H    ARG  94           H        ARG  94   0.453   1.488  -3.963
  735    HA   ARG  94           HA       ARG  94  -1.578   0.415  -2.038
  736    HB2  ARG  94           1HB      ARG  94  -1.261   3.153  -3.342
  737    HB3  ARG  94           2HB      ARG  94  -2.752   2.602  -2.565
  738    HG2  ARG  94           1HG      ARG  94  -1.506   2.200  -0.462
  739    HG3  ARG  94           2HG      ARG  94  -0.045   2.865  -1.206
  740    HD2  ARG  94           1HD      ARG  94  -1.023   4.603   0.118
  741    HD3  ARG  94           2HD      ARG  94  -1.282   5.036  -1.562
  742    HE   ARG  94           HE       ARG  94  -3.315   4.062   0.421
  743   HH11  ARG  94          1HH1      ARG  94  -2.804   5.379  -2.845
  744   HH12  ARG  94          2HH1      ARG  94  -4.490   5.757  -3.026
  745   HH21  ARG  94          1HH2      ARG  94  -5.379   4.702   0.173
  746   HH22  ARG  94          2HH2      ARG  94  -5.946   5.334  -1.356
  747    H    ASP  95           H        ASP  95  -3.658   0.007  -2.815
  748    HA   ASP  95           HA       ASP  95  -4.356   0.451  -5.618
  749    HB2  ASP  95           1HB      ASP  95  -3.233  -2.051  -5.001
  750    HB3  ASP  95           2HB      ASP  95  -4.978  -2.330  -4.895
  751    H    ILE  96           H        ILE  96  -6.635  -0.663  -5.961
  752    HA   ILE  96           HA       ILE  96  -8.404   0.062  -3.644
  753    HB   ILE  96           HB       ILE  96  -8.749   0.830  -6.557
  754   HG12  ILE  96          1HG1      ILE  96  -6.972   2.179  -5.464
  755   HG13  ILE  96          2HG1      ILE  96  -8.357   3.124  -5.951
  756   HG21  ILE  96          1HG2      ILE  96 -10.942   0.531  -5.580
  757   HG22  ILE  96          2HG2      ILE  96 -10.471   1.354  -4.074
  758   HG23  ILE  96          3HG2      ILE  96 -10.659   2.265  -5.584
  759   HD11  ILE  96          3HD1      ILE  96  -7.394   3.659  -3.651
  760   HD12  ILE  96          1HD1      ILE  96  -9.144   3.346  -3.705
  761   HD13  ILE  96          2HD1      ILE  96  -8.050   2.089  -3.119
  762    H    ILE  97           H        ILE  97 -10.130  -1.139  -3.350
  763    HA   ILE  97           HA       ILE  97 -10.629  -3.521  -5.080
  764    HB   ILE  97           HB       ILE  97 -11.834  -2.849  -2.398
  765   HG12  ILE  97          1HG1      ILE  97 -10.407  -4.991  -1.820
  766   HG13  ILE  97          2HG1      ILE  97  -9.378  -4.438  -3.127
  767   HG21  ILE  97          1HG2      ILE  97 -13.308  -4.227  -3.656
  768   HG22  ILE  97          2HG2      ILE  97 -11.984  -5.325  -4.132
  769   HG23  ILE  97          3HG2      ILE  97 -12.538  -5.236  -2.440
  770   HD11  ILE  97          3HD1      ILE  97  -8.972  -3.680  -0.628
  771   HD12  ILE  97          1HD1      ILE  97  -8.751  -2.489  -1.930
  772   HD13  ILE  97          2HD1      ILE  97 -10.229  -2.485  -0.934
  773    H    ASP  98           H        ASP  98 -12.457  -3.772  -6.217
  774    HA   ASP  98           HA       ASP  98 -14.376  -1.494  -6.378
  775    HB2  ASP  98           1HB      ASP  98 -13.019  -2.161  -8.372
  776    HB3  ASP  98           2HB      ASP  98 -13.833  -3.724  -8.367
  777    H    ILE  99           H        ILE  99 -14.251  -4.769  -5.433
  778    HA   ILE  99           HA       ILE  99 -15.635  -6.121  -4.303
  779    HB   ILE  99           HB       ILE  99 -17.814  -4.043  -4.514
  780   HG12  ILE  99          1HG1      ILE  99 -15.795  -3.146  -3.365
  781   HG13  ILE  99          2HG1      ILE  99 -17.208  -3.247  -2.339
  782   HG21  ILE  99          1HG2      ILE  99 -18.778  -6.184  -3.966
  783   HG22  ILE  99          2HG2      ILE  99 -17.590  -6.443  -2.674
  784   HG23  ILE  99          3HG2      ILE  99 -18.792  -5.146  -2.544
  785   HD11  ILE  99          3HD1      ILE  99 -15.036  -3.917  -1.254
  786   HD12  ILE  99          1HD1      ILE  99 -16.315  -5.141  -1.139
  787   HD13  ILE  99          2HD1      ILE  99 -14.993  -5.343  -2.308
  788    HA   PRO 100           HA       PRO 100 -17.450  -8.182  -7.848
  789    HB2  PRO 100           1HB      PRO 100 -17.761 -10.685  -6.844
  790    HB3  PRO 100           2HB      PRO 100 -16.145  -9.973  -7.116
  791    HG2  PRO 100           1HG      PRO 100 -17.732 -10.063  -4.520
  792    HG3  PRO 100           2HG      PRO 100 -16.027 -10.558  -4.784
  793    HD2  PRO 100           1HD      PRO 100 -16.716  -8.077  -3.836
  794    HD3  PRO 100           2HD      PRO 100 -15.302  -8.323  -4.902
  795    H    LYS 101           H        LYS 101 -19.425  -9.464  -8.385
  796    HA   LYS 101           HA       LYS 101 -21.812  -8.256  -7.420
  797    HB2  LYS 101           1HB      LYS 101 -22.992  -9.875  -8.785
  798    HB3  LYS 101           2HB      LYS 101 -21.602  -9.209  -9.642
  799    HG2  LYS 101           1HG      LYS 101 -20.315 -11.303  -9.170
  800    HG3  LYS 101           2HG      LYS 101 -21.699 -11.947  -8.281
  801    HD2  LYS 101           1HD      LYS 101 -21.667 -12.928 -10.470
  802    HD3  LYS 101           2HD      LYS 101 -23.074 -11.862 -10.346
  803    HE2  LYS 101           1HE      LYS 101 -21.842 -10.093 -11.590
  804    HE3  LYS 101           2HE      LYS 101 -20.413 -11.132 -11.668
  805    HZ1  LYS 101           3HZ      LYS 101 -21.709 -11.245 -13.711
  806    HZ2  LYS 101           1HZ      LYS 101 -21.715 -12.707 -12.985
  807    HZ3  LYS 101           2HZ      LYS 101 -23.039 -11.747 -12.910
  808    H    LYS 102           H        LYS 102 -20.162 -11.124  -6.245
  809    HA   LYS 102           HA       LYS 102 -22.185 -12.233  -4.580
  810    HB2  LYS 102           1HB      LYS 102 -20.025 -13.270  -5.281
  811    HB3  LYS 102           2HB      LYS 102 -19.162 -12.180  -4.186
  812    HG2  LYS 102           1HG      LYS 102 -20.268 -13.210  -2.244
  813    HG3  LYS 102           2HG      LYS 102 -21.319 -14.155  -3.306
  814    HD2  LYS 102           1HD      LYS 102 -19.574 -15.572  -2.422
  815    HD3  LYS 102           2HD      LYS 102 -19.353 -15.389  -4.168
  816    HE2  LYS 102           1HE      LYS 102 -17.585 -13.685  -3.771
  817    HE3  LYS 102           2HE      LYS 102 -17.842 -13.815  -2.024
  818    HZ1  LYS 102           3HZ      LYS 102 -15.960 -15.160  -2.748
  819    HZ2  LYS 102           1HZ      LYS 102 -17.129 -16.137  -2.160
  820    HZ3  LYS 102           2HZ      LYS 102 -16.894 -16.020  -3.775
  821    H    GLY 103           H        GLY 103 -20.356  -9.293  -4.137
  822    HA2  GLY 103           1HA      GLY 103 -20.969  -8.956  -1.285
  823    HA3  GLY 103           2HA      GLY 103 -20.206  -7.786  -2.393
  824    H    VAL 104           H        VAL 104 -22.837  -8.540  -4.080
  825    HA   VAL 104           HA       VAL 104 -24.425  -6.257  -3.007
  826    HB   VAL 104           HB       VAL 104 -24.699  -7.698  -5.681
  827   HG11  VAL 104          1HG1      VAL 104 -26.804  -6.621  -4.985
  828   HG12  VAL 104          2HG1      VAL 104 -25.937  -5.107  -4.644
  829   HG13  VAL 104          3HG1      VAL 104 -26.064  -5.715  -6.308
  830   HG21  VAL 104          3HG2      VAL 104 -23.673  -5.649  -6.650
  831   HG22  VAL 104          1HG2      VAL 104 -23.358  -5.036  -5.012
  832   HG23  VAL 104          2HG2      VAL 104 -22.543  -6.503  -5.600
  833    H    SER 105           H        SER 105 -26.307  -6.594  -1.971
  834    HA   SER 105           HA       SER 105 -28.009  -8.925  -2.293
  835    HB2  SER 105           1HB      SER 105 -27.696  -9.848  -0.042
  836    HB3  SER 105           2HB      SER 105 -26.219  -9.974  -0.988
  837    HG   SER 105           HG       SER 105 -25.403  -8.142   0.126
  838    H    GLY 106           H        GLY 106 -29.724  -8.961  -0.479
  839    HA2  GLY 106           1HA      GLY 106 -31.139  -7.815   1.041
  840    HA3  GLY 106           2HA      GLY 106 -30.455  -6.257   0.550
  841    HA   PRO 107           HA       PRO 107 -34.567  -7.191  -1.559
  842    HB2  PRO 107           1HB      PRO 107 -36.212  -5.388  -0.340
  843    HB3  PRO 107           2HB      PRO 107 -35.798  -6.968   0.396
  844    HG2  PRO 107           1HG      PRO 107 -34.505  -4.271   0.934
  845    HG3  PRO 107           2HG      PRO 107 -35.123  -5.458   2.129
  846    HD2  PRO 107           1HD      PRO 107 -32.488  -5.344   1.434
  847    HD3  PRO 107           2HD      PRO 107 -33.294  -6.904   1.776
  848    H    SER 108           H        SER 108 -35.664  -5.946  -3.153
  849    HA   SER 108           HA       SER 108 -35.109  -3.150  -3.657
  850    HB2  SER 108           1HB      SER 108 -33.969  -3.451  -5.832
  851    HB3  SER 108           2HB      SER 108 -32.971  -3.907  -4.452
  852    HG   SER 108           HG       SER 108 -33.290  -6.070  -4.920
  853    H    SER 109           H        SER 109 -35.564  -5.492  -6.217
  854    HA   SER 109           HA       SER 109 -38.472  -5.432  -6.319
  855    HB2  SER 109           1HB      SER 109 -38.710  -4.096  -8.375
  856    HB3  SER 109           2HB      SER 109 -38.146  -3.128  -7.012
  857    HG   SER 109           HG       SER 109 -36.969  -2.674  -8.941
  858    H    GLY 110           H        GLY 110 -35.401  -6.225  -7.913
  859    HA2  GLY 110           1HA      GLY 110 -36.274  -8.818  -8.749
  860    HA3  GLY 110           2HA      GLY 110 -36.337  -7.715 -10.124
  861   H5'1  ATP 201          H5"       ATP 111  11.287 -14.764   6.638
  862   H5'2  ATP 201          H5'       ATP 111  11.201 -13.081   7.162
  863    H4'  ATP 201           H4'      ATP 111   9.105 -14.390   7.512
  864    H3'  ATP 201           H3'      ATP 111   9.441 -15.361   4.903
  865   HO3'  ATP 201          H3T       ATP 111   7.097 -15.899   5.259
  866    H2'  ATP 201           H2'      ATP 111   8.869 -13.281   3.901
  867   HO2'  ATP 201          2HO       ATP 111   7.330 -14.773   3.040
  868    H1'  ATP 201           H1'      ATP 111   6.730 -13.036   6.044
  869    H8   ATP 201           8H       ATP 111   9.250 -10.853   3.984
  870   HN61  ATP 201          2H6       ATP 111   5.913  -7.271   2.949
  871   HN62  ATP 201          1H6       ATP 111   4.307  -7.033   3.641
  872    H2   ATP 201           2H       ATP 111   3.369 -10.080   6.459
  Start of MODEL   13
    1    HA   PRO   1           HA       PRO   1 -36.358  18.197 -18.649
    2    HB2  PRO   1           1HB      PRO   1 -36.305  15.417 -19.848
    3    HB3  PRO   1           2HB      PRO   1 -36.083  17.001 -20.653
    4    HG2  PRO   1           1HG      PRO   1 -34.046  15.272 -19.572
    5    HG3  PRO   1           2HG      PRO   1 -33.799  16.943 -20.160
    6    HD2  PRO   1           1HD      PRO   1 -33.471  16.184 -17.500
    7    HD3  PRO   1           2HD      PRO   1 -33.859  17.832 -18.051
    8    H    SER   2           H        SER   2 -38.497  17.243 -20.110
    9    HA   SER   2           HA       SER   2 -40.645  17.196 -18.248
   10    HB2  SER   2           1HB      SER   2 -40.695  16.329 -21.158
   11    HB3  SER   2           2HB      SER   2 -42.060  16.924 -20.201
   12    HG   SER   2           HG       SER   2 -41.082  18.976 -20.136
   13    H    SER   3           H        SER   3 -38.756  14.518 -19.411
   14    HA   SER   3           HA       SER   3 -40.689  12.432 -18.653
   15    HB2  SER   3           1HB      SER   3 -38.757  10.954 -19.290
   16    HB3  SER   3           2HB      SER   3 -39.319  12.032 -20.574
   17    HG   SER   3           HG       SER   3 -37.004  12.001 -20.373
   18    H    GLY   4           H        GLY   4 -38.770  14.466 -16.855
   19    HA2  GLY   4           1HA      GLY   4 -38.841  14.030 -14.385
   20    HA3  GLY   4           2HA      GLY   4 -38.096  12.462 -14.716
   21    H    SER   5           H        SER   5 -36.984  14.240 -12.963
   22    HA   SER   5           HA       SER   5 -34.388  15.003 -14.192
   23    HB2  SER   5           1HB      SER   5 -36.171  16.883 -12.590
   24    HB3  SER   5           2HB      SER   5 -34.471  17.185 -12.967
   25    HG   SER   5           HG       SER   5 -36.004  18.219 -14.394
   26    H    SER   6           H        SER   6 -32.649  15.105 -12.658
   27    HA   SER   6           HA       SER   6 -33.037  14.673  -9.823
   28    HB2  SER   6           1HB      SER   6 -31.994  12.456  -9.692
   29    HB3  SER   6           2HB      SER   6 -33.532  12.392 -10.547
   30    HG   SER   6           HG       SER   6 -32.386  12.309 -12.525
   31    H    GLY   7           H        GLY   7 -30.929  14.343  -8.681
   32    HA2  GLY   7           1HA      GLY   7 -28.455  15.073 -10.109
   33    HA3  GLY   7           2HA      GLY   7 -29.044  16.253  -8.948
   34    H    PHE   8           H        PHE   8 -26.568  15.023  -8.689
   35    HA   PHE   8           HA       PHE   8 -26.824  13.019  -6.517
   36    HB2  PHE   8           1HB      PHE   8 -24.536  12.457  -7.063
   37    HB3  PHE   8           2HB      PHE   8 -25.554  12.354  -8.479
   38    HD1  PHE   8           2HD      PHE   8 -22.812  14.230  -6.836
   39    HD2  PHE   8           1HD      PHE   8 -25.229  13.867 -10.390
   40    HE1  PHE   8           2HE      PHE   8 -21.233  15.704  -8.062
   41    HE2  PHE   8           1HE      PHE   8 -23.648  15.342 -11.612
   42    HZ   PHE   8           HZ       PHE   8 -21.650  16.264 -10.450
   43    H    LEU   9           H        LEU   9 -25.297  13.105  -4.767
   44    HA   LEU   9           HA       LEU   9 -24.029  15.604  -3.965
   45    HB2  LEU   9           1HB      LEU   9 -26.434  15.956  -3.388
   46    HB3  LEU   9           2HB      LEU   9 -26.430  14.443  -2.487
   47    HG   LEU   9           HG       LEU   9 -24.821  15.415  -0.856
   48   HD11  LEU   9          1HD1      LEU   9 -23.646  17.064  -2.274
   49   HD12  LEU   9          2HD1      LEU   9 -25.154  17.983  -2.480
   50   HD13  LEU   9          3HD1      LEU   9 -24.381  17.867  -0.885
   51   HD21  LEU   9          3HD2      LEU   9 -26.403  16.974   0.201
   52   HD22  LEU   9          1HD2      LEU   9 -27.299  17.124  -1.326
   53   HD23  LEU   9          2HD2      LEU   9 -27.250  15.569  -0.466
   54    H    ASP  10           H        ASP  10 -22.494  15.258  -2.322
   55    HA   ASP  10           HA       ASP  10 -22.167  12.609  -1.081
   56    HB2  ASP  10           1HB      ASP  10 -21.167  12.599  -3.446
   57    HB3  ASP  10           2HB      ASP  10 -20.025  13.805  -2.847
   58    H    LYS  11           H        LYS  11 -20.142  12.564   0.185
   59    HA   LYS  11           HA       LYS  11 -20.135  14.869   2.030
   60    HB2  LYS  11           1HB      LYS  11 -19.482  11.910   2.146
   61    HB3  LYS  11           2HB      LYS  11 -18.811  12.965   3.370
   62    HG2  LYS  11           1HG      LYS  11 -21.562  13.719   3.178
   63    HG3  LYS  11           2HG      LYS  11 -21.553  11.960   3.076
   64    HD2  LYS  11           1HD      LYS  11 -20.224  13.636   5.257
   65    HD3  LYS  11           2HD      LYS  11 -21.802  12.841   5.392
   66    HE2  LYS  11           1HE      LYS  11 -20.729  10.621   5.030
   67    HE3  LYS  11           2HE      LYS  11 -19.145  11.398   4.936
   68    HZ1  LYS  11           3HZ      LYS  11 -19.574  10.534   7.156
   69    HZ2  LYS  11           1HZ      LYS  11 -19.458  12.160   7.229
   70    HZ3  LYS  11           2HZ      LYS  11 -20.923  11.437   7.313
   71    HA   PRO  12           HA       PRO  12 -16.055  16.296   1.237
   72    HB2  PRO  12           1HB      PRO  12 -15.125  17.085   3.689
   73    HB3  PRO  12           2HB      PRO  12 -16.460  17.892   2.835
   74    HG2  PRO  12           1HG      PRO  12 -16.616  15.799   5.026
   75    HG3  PRO  12           2HG      PRO  12 -17.522  17.342   4.911
   76    HD2  PRO  12           1HD      PRO  12 -18.563  14.925   4.144
   77    HD3  PRO  12           2HD      PRO  12 -19.025  16.435   3.342
   78    H    THR  13           H        THR  13 -13.712  16.159   2.113
   79    HA   THR  13           HA       THR  13 -12.843  13.555   3.082
   80    HB   THR  13           HB       THR  13 -13.457  13.105   0.706
   81    HG1  THR  13           1HG      THR  13 -11.687  11.924   0.416
   82   HG21  THR  13          3HG2      THR  13 -12.221  14.054  -1.112
   83   HG22  THR  13          1HG2      THR  13 -12.818  15.412  -0.164
   84   HG23  THR  13          2HG2      THR  13 -11.117  14.917  -0.018
   85    H    LEU  14           H        LEU  14 -10.537  13.296   2.982
   86    HA   LEU  14           HA       LEU  14  -9.138  15.825   3.777
   87    HB2  LEU  14           1HB      LEU  14  -8.618  12.977   4.705
   88    HB3  LEU  14           2HB      LEU  14  -7.884  14.440   5.326
   89    HG   LEU  14           HG       LEU  14 -10.746  14.794   5.573
   90   HD11  LEU  14          1HD1      LEU  14 -10.944  12.347   5.346
   91   HD12  LEU  14          2HD1      LEU  14  -9.803  12.124   6.692
   92   HD13  LEU  14          3HD1      LEU  14 -11.380  12.898   6.975
   93   HD21  LEU  14          3HD2      LEU  14 -10.245  14.912   7.968
   94   HD22  LEU  14          1HD2      LEU  14  -8.640  14.194   7.693
   95   HD23  LEU  14          2HD2      LEU  14  -9.029  15.797   7.027
   96    H    LEU  15           H        LEU  15  -9.286  13.636   1.287
   97    HA   LEU  15           HA       LEU  15  -6.397  13.316   0.797
   98    HB2  LEU  15           1HB      LEU  15  -8.715  12.479  -0.977
   99    HB3  LEU  15           2HB      LEU  15  -7.059  11.908  -1.039
  100    HG   LEU  15           HG       LEU  15  -9.071  11.314   1.172
  101   HD11  LEU  15          1HD1      LEU  15  -9.452  10.123  -0.969
  102   HD12  LEU  15          2HD1      LEU  15  -7.786   9.505  -0.916
  103   HD13  LEU  15          3HD1      LEU  15  -8.957   9.022   0.328
  104   HD21  LEU  15          3HD2      LEU  15  -7.341   9.759   2.059
  105   HD22  LEU  15          1HD2      LEU  15  -6.168  10.415   0.895
  106   HD23  LEU  15          2HD2      LEU  15  -6.843  11.449   2.178
  107    H    SER  16           H        SER  16  -6.017  13.416  -1.755
  108    HA   SER  16           HA       SER  16  -6.186  16.263  -2.562
  109    HB2  SER  16           1HB      SER  16  -4.381  13.913  -3.144
  110    HB3  SER  16           2HB      SER  16  -4.443  15.250  -4.227
  111    HG   SER  16           HG       SER  16  -3.761  15.346  -1.447
  112    HA   PRO  17           HA       PRO  17  -8.892  15.376  -5.990
  113    HB2  PRO  17           1HB      PRO  17  -7.764  16.823  -8.042
  114    HB3  PRO  17           2HB      PRO  17  -8.690  17.548  -6.694
  115    HG2  PRO  17           1HG      PRO  17  -5.681  17.295  -6.964
  116    HG3  PRO  17           2HG      PRO  17  -6.637  18.726  -6.454
  117    HD2  PRO  17           1HD      PRO  17  -5.454  17.089  -4.643
  118    HD3  PRO  17           2HD      PRO  17  -7.055  17.834  -4.328
  119    H    GLU  18           H        GLU  18  -5.414  14.867  -6.342
  120    HA   GLU  18           HA       GLU  18  -5.615  13.138  -8.657
  121    HB2  GLU  18           1HB      GLU  18  -3.292  13.464  -6.714
  122    HB3  GLU  18           2HB      GLU  18  -3.232  12.807  -8.355
  123    HG2  GLU  18           1HG      GLU  18  -4.012  15.072  -9.200
  124    HG3  GLU  18           2HG      GLU  18  -3.817  15.688  -7.553
  125    H    GLU  19           H        GLU  19  -6.228  12.553  -5.348
  126    HA   GLU  19           HA       GLU  19  -5.601   9.659  -5.404
  127    HB2  GLU  19           1HB      GLU  19  -6.660  11.607  -3.340
  128    HB3  GLU  19           2HB      GLU  19  -6.817   9.889  -3.102
  129    HG2  GLU  19           1HG      GLU  19  -4.178  11.322  -3.625
  130    HG3  GLU  19           2HG      GLU  19  -4.834  10.994  -2.013
  131    H    LEU  20           H        LEU  20  -8.373  11.834  -4.943
  132    HA   LEU  20           HA       LEU  20 -10.446   9.902  -4.971
  133    HB2  LEU  20           1HB      LEU  20 -10.511  12.803  -5.872
  134    HB3  LEU  20           2HB      LEU  20 -11.910  11.878  -5.359
  135    HG   LEU  20           HG       LEU  20  -9.592  12.212  -3.413
  136   HD11  LEU  20          1HD1      LEU  20 -10.045  14.393  -4.448
  137   HD12  LEU  20          2HD1      LEU  20 -11.729  14.301  -3.885
  138   HD13  LEU  20          3HD1      LEU  20 -10.379  14.344  -2.705
  139   HD21  LEU  20          3HD2      LEU  20 -11.311  12.035  -1.743
  140   HD22  LEU  20          1HD2      LEU  20 -12.597  12.086  -2.971
  141   HD23  LEU  20          2HD2      LEU  20 -11.497  10.690  -2.876
  142    H    LYS  21           H        LYS  21  -9.307  12.020  -7.627
  143    HA   LYS  21           HA       LYS  21 -10.888  10.742  -9.678
  144    HB2  LYS  21           1HB      LYS  21  -8.455  12.521  -9.744
  145    HB3  LYS  21           2HB      LYS  21  -9.033  11.785 -11.212
  146    HG2  LYS  21           1HG      LYS  21  -9.871  14.092 -10.863
  147    HG3  LYS  21           2HG      LYS  21 -11.102  12.878 -11.201
  148    HD2  LYS  21           1HD      LYS  21 -11.848  12.861  -8.897
  149    HD3  LYS  21           2HD      LYS  21 -10.493  13.893  -8.403
  150    HE2  LYS  21           1HE      LYS  21 -11.348  15.714  -9.864
  151    HE3  LYS  21           2HE      LYS  21 -12.683  14.678 -10.384
  152    HZ1  LYS  21           3HZ      LYS  21 -13.372  16.186  -8.625
  153    HZ2  LYS  21           1HZ      LYS  21 -13.474  14.651  -8.082
  154    HZ3  LYS  21           2HZ      LYS  21 -12.238  15.612  -7.600
  155    H    ALA  22           H        ALA  22  -8.139   9.463  -8.091
  156    HA   ALA  22           HA       ALA  22  -7.565   7.520 -10.279
  157    HB1  ALA  22           1HB      ALA  22  -5.650   8.507  -9.117
  158    HB2  ALA  22           2HB      ALA  22  -6.250   7.936  -7.551
  159    HB3  ALA  22           3HB      ALA  22  -5.748   6.769  -8.789
  160    H    ALA  23           H        ALA  23  -8.534   7.405  -6.804
  161    HA   ALA  23           HA       ALA  23  -9.183   4.568  -7.019
  162    HB1  ALA  23           1HB      ALA  23  -8.018   5.528  -5.072
  163    HB2  ALA  23           2HB      ALA  23  -9.423   6.557  -4.714
  164    HB3  ALA  23           3HB      ALA  23  -9.557   4.790  -4.586
  165    H    SER  24           H        SER  24 -11.150   7.545  -6.554
  166    HA   SER  24           HA       SER  24 -13.621   6.000  -6.175
  167    HB2  SER  24           1HB      SER  24 -13.022   8.238  -5.090
  168    HB3  SER  24           2HB      SER  24 -13.415   8.984  -6.648
  169    HG   SER  24           HG       SER  24 -15.536   8.126  -6.454
  170    H    ARG  25           H        ARG  25 -11.980   7.521  -8.880
  171    HA   ARG  25           HA       ARG  25 -14.156   7.308 -10.773
  172    HB2  ARG  25           1HB      ARG  25 -12.088   8.740 -10.968
  173    HB3  ARG  25           2HB      ARG  25 -11.168   7.273 -11.299
  174    HG2  ARG  25           1HG      ARG  25 -11.699   8.466 -13.343
  175    HG3  ARG  25           2HG      ARG  25 -12.481   6.888 -13.355
  176    HD2  ARG  25           1HD      ARG  25 -14.641   7.931 -12.787
  177    HD3  ARG  25           2HD      ARG  25 -13.850   9.517 -12.627
  178    HE   ARG  25           HE       ARG  25 -13.293   8.474 -15.212
  179   HH11  ARG  25          1HH1      ARG  25 -16.085   9.752 -13.450
  180   HH12  ARG  25          2HH1      ARG  25 -16.868  10.296 -14.905
  181   HH21  ARG  25          1HH2      ARG  25 -14.357   9.201 -17.047
  182   HH22  ARG  25          2HH2      ARG  25 -15.900   9.986 -16.911
  183    H    GLY  26           H        GLY  26 -11.819   5.057  -9.472
  184    HA2  GLY  26           1HA      GLY  26 -12.297   2.873 -11.378
  185    HA3  GLY  26           2HA      GLY  26 -11.388   2.799  -9.848
  186    H    ASN  27           H        ASN  27 -12.869   3.159  -7.852
  187    HA   ASN  27           HA       ASN  27 -15.603   2.162  -8.059
  188    HB2  ASN  27           1HB      ASN  27 -14.241   0.067  -8.348
  189    HB3  ASN  27           2HB      ASN  27 -13.526   0.358  -6.767
  190   HD21  ASN  27          2HD2      ASN  27 -14.353  -1.426  -5.685
  191   HD22  ASN  27          1HD2      ASN  27 -16.078  -1.672  -5.421
  192    H    GLY  28           H        GLY  28 -12.962   3.340  -6.053
  193    HA2  GLY  28           1HA      GLY  28 -13.248   4.862  -4.261
  194    HA3  GLY  28           2HA      GLY  28 -14.880   4.227  -3.942
  195    H    GLU  29           H        GLU  29 -13.007   1.572  -4.364
  196    HA   GLU  29           HA       GLU  29 -12.383   1.172  -1.501
  197    HB2  GLU  29           1HB      GLU  29 -13.143  -0.540  -3.716
  198    HB3  GLU  29           2HB      GLU  29 -11.549  -0.985  -3.160
  199    HG2  GLU  29           1HG      GLU  29 -13.285  -2.269  -1.963
  200    HG3  GLU  29           2HG      GLU  29 -12.382  -1.246  -0.850
  201    H    TYR  30           H        TYR  30 -10.244  -0.165  -1.215
  202    HA   TYR  30           HA       TYR  30  -8.008   0.348  -2.901
  203    HB2  TYR  30           1HB      TYR  30  -6.727   1.861  -1.493
  204    HB3  TYR  30           2HB      TYR  30  -8.163   2.645  -2.093
  205    HD1  TYR  30           2HD      TYR  30 -10.259   2.683  -0.519
  206    HD2  TYR  30           1HD      TYR  30  -6.255   1.819   0.838
  207    HE1  TYR  30           2HE      TYR  30 -10.894   3.374   1.793
  208    HE2  TYR  30           1HE      TYR  30  -6.882   2.507   3.134
  209    HH   TYR  30           HH       TYR  30  -8.542   3.321   4.515
  210    H    ALA  31           H        ALA  31  -6.119  -0.655  -2.243
  211    HA   ALA  31           HA       ALA  31  -5.899  -1.994   0.381
  212    HB1  ALA  31           1HB      ALA  31  -7.129  -3.695  -0.665
  213    HB2  ALA  31           2HB      ALA  31  -6.380  -3.431  -2.256
  214    HB3  ALA  31           3HB      ALA  31  -5.463  -4.202  -0.934
  215    H    TRP  32           H        TRP  32  -3.841  -2.571   0.940
  216    HA   TRP  32           HA       TRP  32  -1.604  -1.580  -0.745
  217    HB2  TRP  32           1HB      TRP  32  -1.846  -2.411   2.165
  218    HB3  TRP  32           2HB      TRP  32  -0.303  -2.155   1.367
  219    HD1  TRP  32           HD       TRP  32  -3.382  -0.125   2.403
  220    HE1  TRP  32           1HE      TRP  32  -2.666   2.321   2.683
  221    HE3  TRP  32           3HE      TRP  32   1.417  -0.479   0.608
  222    HZ2  TRP  32           2HZ      TRP  32  -0.258   3.916   2.255
  223    HZ3  TRP  32           3HZ      TRP  32   2.833   1.550   0.459
  224    HH2  TRP  32           HH       TRP  32   2.006   3.715   1.294
  225    H    TYR  33           H        TYR  33   0.077  -2.811  -1.413
  226    HA   TYR  33           HA       TYR  33   0.048  -5.763  -1.017
  227    HB2  TYR  33           1HB      TYR  33   0.120  -4.242  -3.641
  228    HB3  TYR  33           2HB      TYR  33   0.692  -5.890  -3.503
  229    HD1  TYR  33           2HD      TYR  33  -2.365  -3.756  -3.087
  230    HD2  TYR  33           1HD      TYR  33  -0.767  -7.706  -3.754
  231    HE1  TYR  33           2HE      TYR  33  -4.653  -4.603  -3.536
  232    HE2  TYR  33           1HE      TYR  33  -3.053  -8.555  -4.219
  233    HH   TYR  33           HH       TYR  33  -5.288  -8.028  -4.405
  234    H    TYR  34           H        TYR  34   2.038  -6.809  -1.417
  235    HA   TYR  34           HA       TYR  34   4.483  -5.160  -1.815
  236    HB2  TYR  34           1HB      TYR  34   5.623  -6.222   0.001
  237    HB3  TYR  34           2HB      TYR  34   4.159  -5.484   0.616
  238    HD1  TYR  34           1HD      TYR  34   2.184  -6.936   1.252
  239    HD2  TYR  34           2HD      TYR  34   6.008  -8.606   0.162
  240    HE1  TYR  34           1HE      TYR  34   1.510  -9.105   2.244
  241    HE2  TYR  34           2HE      TYR  34   5.342 -10.782   1.163
  242    HH   TYR  34           HH       TYR  34   2.124 -11.285   2.675
  243    H    GLU  35           H        GLU  35   6.246  -6.319  -2.800
  244    HA   GLU  35           HA       GLU  35   5.480  -8.796  -4.222
  245    HB2  GLU  35           1HB      GLU  35   8.060  -7.190  -4.241
  246    HB3  GLU  35           2HB      GLU  35   7.823  -8.733  -5.072
  247    HG2  GLU  35           1HG      GLU  35   5.740  -7.597  -6.158
  248    HG3  GLU  35           2HG      GLU  35   6.504  -6.083  -5.652
  249    H    GLY  36           H        GLY  36   5.584 -10.682  -3.326
  250    HA2  GLY  36           1HA      GLY  36   7.636 -11.386  -1.245
  251    HA3  GLY  36           2HA      GLY  36   6.149 -12.284  -1.606
  252    H    ARG  37           H        ARG  37   7.447 -14.173  -1.821
  253    HA   ARG  37           HA       ARG  37   9.600 -14.489  -3.639
  254    HB2  ARG  37           1HB      ARG  37   9.027 -15.958  -1.708
  255    HB3  ARG  37           2HB      ARG  37   7.635 -16.571  -2.603
  256    HG2  ARG  37           1HG      ARG  37   9.241 -17.428  -4.378
  257    HG3  ARG  37           2HG      ARG  37  10.581 -16.839  -3.382
  258    HD2  ARG  37           1HD      ARG  37  10.327 -19.200  -2.997
  259    HD3  ARG  37           2HD      ARG  37   9.803 -18.352  -1.531
  260    HE   ARG  37           HE       ARG  37   7.565 -18.789  -3.283
  261   HH11  ARG  37          1HH1      ARG  37   9.615 -20.687  -1.107
  262   HH12  ARG  37          2HH1      ARG  37   8.361 -21.857  -0.820
  263   HH21  ARG  37          1HH2      ARG  37   6.024 -20.277  -2.869
  264   HH22  ARG  37          2HH2      ARG  37   6.335 -21.632  -1.819
  265    H    ASN  38           H        ASN  38   6.125 -15.131  -4.115
  266    HA   ASN  38           HA       ASN  38   6.611 -15.983  -6.918
  267    HB2  ASN  38           1HB      ASN  38   4.342 -16.479  -4.972
  268    HB3  ASN  38           2HB      ASN  38   4.283 -16.951  -6.667
  269   HD21  ASN  38          2HD2      ASN  38   5.500 -18.767  -7.366
  270   HD22  ASN  38          1HD2      ASN  38   6.342 -19.784  -6.212
  271    H    GLY  39           H        GLY  39   5.516 -13.122  -5.452
  272    HA2  GLY  39           1HA      GLY  39   5.161 -11.523  -7.573
  273    HA3  GLY  39           2HA      GLY  39   3.613 -12.355  -7.586
  274    H    TRP  40           H        TRP  40   2.766 -10.151  -7.272
  275    HA   TRP  40           HA       TRP  40   3.074  -8.760  -4.765
  276    HB2  TRP  40           1HB      TRP  40   0.859  -8.640  -6.839
  277    HB3  TRP  40           2HB      TRP  40   1.088  -7.507  -5.519
  278    HD1  TRP  40           HD       TRP  40   2.257  -8.291  -8.990
  279    HE1  TRP  40           1HE      TRP  40   3.880  -6.506  -9.829
  280    HE3  TRP  40           3HE      TRP  40   3.034  -5.778  -4.592
  281    HZ2  TRP  40           2HZ      TRP  40   5.231  -4.173  -8.767
  282    HZ3  TRP  40           3HZ      TRP  40   4.485  -3.769  -4.547
  283    HH2  TRP  40           HH       TRP  40   5.569  -2.941  -6.625
  284    H    TRP  41           H        TRP  41   2.086  -9.050  -2.871
  285    HA   TRP  41           HA       TRP  41  -0.380 -10.719  -2.650
  286    HB2  TRP  41           1HB      TRP  41   2.064 -10.769  -0.837
  287    HB3  TRP  41           2HB      TRP  41   0.562 -11.659  -0.568
  288    HD1  TRP  41           HD       TRP  41   3.868 -12.283  -1.796
  289    HE1  TRP  41           1HE      TRP  41   4.012 -14.210  -3.486
  290    HE3  TRP  41           3HE      TRP  41  -1.119 -12.866  -2.793
  291    HZ2  TRP  41           2HZ      TRP  41   2.218 -15.618  -5.259
  292    HZ3  TRP  41           3HZ      TRP  41  -1.873 -14.455  -4.506
  293    HH2  TRP  41           HH       TRP  41  -0.222 -15.847  -5.765
  294    H    GLN  42           H        GLN  42  -1.889 -10.067  -1.153
  295    HA   GLN  42           HA       GLN  42  -1.829  -7.210  -0.552
  296    HB2  GLN  42           1HB      GLN  42  -3.808  -8.586  -1.467
  297    HB3  GLN  42           2HB      GLN  42  -3.998  -9.211   0.174
  298    HG2  GLN  42           1HG      GLN  42  -4.235  -6.816   0.975
  299    HG3  GLN  42           2HG      GLN  42  -4.139  -6.290  -0.707
  300   HE21  GLN  42          2HE2      GLN  42  -5.968  -6.918  -2.186
  301   HE22  GLN  42          1HE2      GLN  42  -7.510  -7.326  -1.451
  302    H    TYR  43           H        TYR  43  -1.755  -6.220   1.450
  303    HA   TYR  43           HA       TYR  43  -0.679  -7.662   3.739
  304    HB2  TYR  43           1HB      TYR  43  -1.624  -4.830   3.230
  305    HB3  TYR  43           2HB      TYR  43  -1.203  -5.369   4.844
  306    HD1  TYR  43           1HD      TYR  43   1.104  -6.254   5.346
  307    HD2  TYR  43           2HD      TYR  43   0.124  -4.283   1.659
  308    HE1  TYR  43           1HE      TYR  43   3.493  -5.654   5.039
  309    HE2  TYR  43           2HE      TYR  43   2.507  -3.638   1.346
  310    HH   TYR  43           HH       TYR  43   4.606  -3.742   2.211
  311    H    ASP  44           H        ASP  44  -1.591  -7.766   5.842
  312    HA   ASP  44           HA       ASP  44  -4.458  -8.406   5.987
  313    HB2  ASP  44           1HB      ASP  44  -2.467  -9.546   7.205
  314    HB3  ASP  44           2HB      ASP  44  -2.564  -8.204   8.341
  315    H    GLU  45           H        GLU  45  -5.818  -7.404   7.609
  316    HA   GLU  45           HA       GLU  45  -5.898  -4.519   7.201
  317    HB2  GLU  45           1HB      GLU  45  -8.009  -4.596   8.435
  318    HB3  GLU  45           2HB      GLU  45  -7.953  -5.747   7.102
  319    HG2  GLU  45           1HG      GLU  45  -7.577  -7.605   8.660
  320    HG3  GLU  45           2HG      GLU  45  -7.473  -6.484  10.019
  321    H    ARG  46           H        ARG  46  -4.621  -6.511   9.724
  322    HA   ARG  46           HA       ARG  46  -4.540  -4.541  11.860
  323    HB2  ARG  46           1HB      ARG  46  -2.768  -6.959  11.273
  324    HB3  ARG  46           2HB      ARG  46  -2.604  -5.917  12.684
  325    HG2  ARG  46           1HG      ARG  46  -3.837  -7.661  13.491
  326    HG3  ARG  46           2HG      ARG  46  -5.051  -6.396  13.195
  327    HD2  ARG  46           1HD      ARG  46  -5.771  -7.530  11.153
  328    HD3  ARG  46           2HD      ARG  46  -4.420  -8.670  11.298
  329    HE   ARG  46           HE       ARG  46  -6.036  -8.827  13.637
  330   HH11  ARG  46          1HH1      ARG  46  -6.182  -9.690  10.201
  331   HH12  ARG  46          2HH1      ARG  46  -7.345 -10.959  10.477
  332   HH21  ARG  46          1HH2      ARG  46  -7.526 -10.496  13.922
  333   HH22  ARG  46          2HH2      ARG  46  -8.089 -11.411  12.556
  334    H    THR  47           H        THR  47  -2.592  -5.351   9.163
  335    HA   THR  47           HA       THR  47  -0.328  -3.582   9.787
  336    HB   THR  47           HB       THR  47  -0.778  -5.517   7.480
  337    HG1  THR  47           1HG      THR  47   0.583  -6.813   8.833
  338   HG21  THR  47          3HG2      THR  47   1.771  -5.431   7.460
  339   HG22  THR  47          1HG2      THR  47   0.957  -3.972   6.863
  340   HG23  THR  47          2HG2      THR  47   1.643  -3.985   8.495
  341    H    SER  48           H        SER  48  -2.624  -3.880   6.987
  342    HA   SER  48           HA       SER  48  -1.484  -1.707   5.552
  343    HB2  SER  48           1HB      SER  48  -3.559  -1.701   4.249
  344    HB3  SER  48           2HB      SER  48  -2.910  -3.333   4.475
  345    HG   SER  48           HG       SER  48  -5.202  -3.219   4.834
  346    H    ARG  49           H        ARG  49  -3.861  -1.638   8.188
  347    HA   ARG  49           HA       ARG  49  -4.688   1.032   7.882
  348    HB2  ARG  49           1HB      ARG  49  -5.572   0.951  10.010
  349    HB3  ARG  49           2HB      ARG  49  -5.687  -0.671   9.377
  350    HG2  ARG  49           1HG      ARG  49  -5.001  -1.054  11.539
  351    HG3  ARG  49           2HG      ARG  49  -3.512  -1.187  10.634
  352    HD2  ARG  49           1HD      ARG  49  -3.381   0.025  12.882
  353    HD3  ARG  49           2HD      ARG  49  -2.646   0.815  11.519
  354    HE   ARG  49           HE       ARG  49  -5.411   1.601  12.248
  355   HH11  ARG  49          1HH1      ARG  49  -1.967   2.556  12.410
  356   HH12  ARG  49          2HH1      ARG  49  -2.408   4.261  12.295
  357   HH21  ARG  49          1HH2      ARG  49  -5.785   3.857  12.260
  358   HH22  ARG  49          2HH2      ARG  49  -4.404   4.934  12.315
  359    H    GLU  50           H        GLU  50  -1.598  -0.213   9.070
  360    HA   GLU  50           HA       GLU  50  -0.800   2.263  10.384
  361    HB2  GLU  50           1HB      GLU  50   0.946   0.021   9.295
  362    HB3  GLU  50           2HB      GLU  50   1.452   1.262  10.425
  363    HG2  GLU  50           1HG      GLU  50  -0.717  -0.786  11.086
  364    HG3  GLU  50           2HG      GLU  50   0.993  -1.053  11.359
  365    H    LEU  51           H        LEU  51  -0.597   0.939   7.145
  366    HA   LEU  51           HA       LEU  51   1.410   2.786   6.144
  367    HB2  LEU  51           1HB      LEU  51  -0.418   0.889   4.619
  368    HB3  LEU  51           2HB      LEU  51   1.129   1.544   4.089
  369    HG   LEU  51           HG       LEU  51   0.724  -0.471   6.348
  370   HD11  LEU  51          1HD1      LEU  51   0.250  -1.345   4.100
  371   HD12  LEU  51          2HD1      LEU  51   1.861  -0.827   3.554
  372   HD13  LEU  51          3HD1      LEU  51   1.698  -2.079   4.812
  373   HD21  LEU  51          3HD2      LEU  51   3.217  -0.680   6.248
  374   HD22  LEU  51          1HD2      LEU  51   3.254   0.735   5.169
  375   HD23  LEU  51          2HD2      LEU  51   2.681   0.893   6.842
  376    H    GLU  52           H        GLU  52  -2.110   2.349   5.636
  377    HA   GLU  52           HA       GLU  52  -2.408   4.640   3.941
  378    HB2  GLU  52           1HB      GLU  52  -4.764   4.363   4.164
  379    HB3  GLU  52           2HB      GLU  52  -4.036   2.756   4.091
  380    HG2  GLU  52           1HG      GLU  52  -4.191   2.615   6.578
  381    HG3  GLU  52           2HG      GLU  52  -4.992   4.180   6.620
  382    H    ASP  53           H        ASP  53  -2.164   4.420   7.416
  383    HA   ASP  53           HA       ASP  53  -3.374   7.024   7.980
  384    HB2  ASP  53           1HB      ASP  53  -3.381   4.958   9.421
  385    HB3  ASP  53           2HB      ASP  53  -1.670   5.197   9.729
  386    H    ALA  54           H        ALA  54  -0.167   5.643   7.667
  387    HA   ALA  54           HA       ALA  54   1.405   7.746   8.693
  388    HB1  ALA  54           1HB      ALA  54   2.276   5.558   8.388
  389    HB2  ALA  54           2HB      ALA  54   1.981   5.593   6.633
  390    HB3  ALA  54           3HB      ALA  54   3.233   6.634   7.349
  391    H    PHE  55           H        PHE  55   0.538   7.291   5.190
  392    HA   PHE  55           HA       PHE  55   1.821   9.781   4.457
  393    HB2  PHE  55           1HB      PHE  55   1.008   9.480   2.308
  394    HB3  PHE  55           2HB      PHE  55   1.394   7.883   2.893
  395    HD1  PHE  55           1HD      PHE  55  -1.452  10.240   2.293
  396    HD2  PHE  55           2HD      PHE  55  -0.220   6.141   2.749
  397    HE1  PHE  55           1HE      PHE  55  -3.666   9.487   1.455
  398    HE2  PHE  55           2HE      PHE  55  -2.412   5.387   1.839
  399    HZ   PHE  55           HZ       PHE  55  -4.144   7.058   1.219
  400    H    SER  56           H        SER  56  -1.187   9.045   5.880
  401    HA   SER  56           HA       SER  56  -2.515  11.599   5.242
  402    HB2  SER  56           1HB      SER  56  -3.591   9.273   5.698
  403    HB3  SER  56           2HB      SER  56  -3.356   9.664   7.403
  404    HG   SER  56           HG       SER  56  -5.426  10.340   6.614
  405    H    LYS  57           H        LYS  57  -0.556  10.284   7.902
  406    HA   LYS  57           HA       LYS  57  -0.967  12.520   9.734
  407    HB2  LYS  57           1HB      LYS  57   1.004  10.220   9.525
  408    HB3  LYS  57           2HB      LYS  57   1.119  11.440  10.795
  409    HG2  LYS  57           1HG      LYS  57  -0.828  10.755  11.873
  410    HG3  LYS  57           2HG      LYS  57  -1.516  10.012  10.427
  411    HD2  LYS  57           1HD      LYS  57  -0.786   8.284  12.035
  412    HD3  LYS  57           2HD      LYS  57   0.056   8.189  10.501
  413    HE2  LYS  57           1HE      LYS  57   1.849   7.915  11.875
  414    HE3  LYS  57           2HE      LYS  57   1.908   9.657  11.685
  415    HZ1  LYS  57           3HZ      LYS  57   2.078   9.068  14.031
  416    HZ2  LYS  57           1HZ      LYS  57   0.682   9.880  13.792
  417    HZ3  LYS  57           2HZ      LYS  57   0.658   8.259  13.991
  418    H    GLY  58           H        GLY  58   1.594  11.603   7.407
  419    HA2  GLY  58           1HA      GLY  58   2.537  13.513   6.091
  420    HA3  GLY  58           2HA      GLY  58   2.810  14.346   7.638
  421    H    LYS  59           H        LYS  59   3.481  11.187   8.397
  422    HA   LYS  59           HA       LYS  59   6.335  11.535   8.152
  423    HB2  LYS  59           1HB      LYS  59   6.412   9.120   8.906
  424    HB3  LYS  59           2HB      LYS  59   5.662  10.260  10.009
  425    HG2  LYS  59           1HG      LYS  59   3.458   9.498   9.526
  426    HG3  LYS  59           2HG      LYS  59   4.012   8.642   8.079
  427    HD2  LYS  59           1HD      LYS  59   3.483   7.115   9.963
  428    HD3  LYS  59           2HD      LYS  59   5.126   6.978   9.384
  429    HE2  LYS  59           1HE      LYS  59   5.928   8.375  11.289
  430    HE3  LYS  59           2HE      LYS  59   4.274   8.472  11.897
  431    HZ1  LYS  59           3HZ      LYS  59   5.479   6.699  13.004
  432    HZ2  LYS  59           1HZ      LYS  59   4.323   6.001  12.077
  433    HZ3  LYS  59           2HZ      LYS  59   5.878   5.991  11.590
  434    H    LYS  60           H        LYS  60   7.798  10.331   6.980
  435    HA   LYS  60           HA       LYS  60   6.877   9.635   4.235
  436    HB2  LYS  60           1HB      LYS  60   8.955  10.346   3.464
  437    HB3  LYS  60           2HB      LYS  60   8.479  11.499   4.697
  438    HG2  LYS  60           1HG      LYS  60   9.986  10.151   6.308
  439    HG3  LYS  60           2HG      LYS  60  10.634   9.388   4.846
  440    HD2  LYS  60           1HD      LYS  60  11.133  11.749   3.973
  441    HD3  LYS  60           2HD      LYS  60  10.590  12.360   5.536
  442    HE2  LYS  60           1HE      LYS  60  12.840  12.286   5.952
  443    HE3  LYS  60           2HE      LYS  60  12.375  10.685   6.532
  444    HZ1  LYS  60           3HZ      LYS  60  14.287  10.481   5.107
  445    HZ2  LYS  60           1HZ      LYS  60  13.029   9.866   4.239
  446    HZ3  LYS  60           2HZ      LYS  60  13.592  11.347   3.906
  447    H    ASN  61           H        ASN  61   7.407   7.924   6.939
  448    HA   ASN  61           HA       ASN  61   7.471   5.417   5.666
  449    HB2  ASN  61           1HB      ASN  61   9.606   4.497   6.425
  450    HB3  ASN  61           2HB      ASN  61   9.906   5.829   5.329
  451   HD21  ASN  61          2HD2      ASN  61  10.437   7.939   6.319
  452   HD22  ASN  61          1HD2      ASN  61  11.317   7.963   7.842
  453    H    THR  62           H        THR  62   7.288   3.690   7.200
  454    HA   THR  62           HA       THR  62   6.676   4.357  10.014
  455    HB   THR  62           HB       THR  62   4.688   4.985   8.577
  456    HG1  THR  62           1HG      THR  62   3.334   3.944  10.192
  457   HG21  THR  62          3HG2      THR  62   3.148   3.204   7.952
  458   HG22  THR  62          1HG2      THR  62   4.680   2.958   7.103
  459   HG23  THR  62          2HG2      THR  62   4.275   1.953   8.512
  460    H    GLU  63           H        GLU  63   5.678   2.310  11.099
  461    HA   GLU  63           HA       GLU  63   7.464   0.013  10.374
  462    HB2  GLU  63           1HB      GLU  63   6.842   1.313  13.049
  463    HB3  GLU  63           2HB      GLU  63   7.561  -0.294  12.902
  464    HG2  GLU  63           1HG      GLU  63   9.454   0.586  11.672
  465    HG3  GLU  63           2HG      GLU  63   8.778   2.210  11.665
  466    H    MET  64           H        MET  64   6.783  -2.027  10.741
  467    HA   MET  64           HA       MET  64   4.079  -2.618  11.766
  468    HB2  MET  64           1HB      MET  64   3.564  -3.855   9.630
  469    HB3  MET  64           2HB      MET  64   3.513  -2.096   9.516
  470    HG2  MET  64           1HG      MET  64   5.707  -2.052   8.446
  471    HG3  MET  64           2HG      MET  64   5.911  -3.786   8.709
  472    HE1  MET  64           3HE      MET  64   5.875  -3.619   4.926
  473    HE2  MET  64           1HE      MET  64   6.809  -3.037   6.314
  474    HE3  MET  64           2HE      MET  64   6.304  -4.745   6.225
  475    H    LEU  65           H        LEU  65   3.716  -4.726  12.263
  476    HA   LEU  65           HA       LEU  65   6.073  -6.518  12.451
  477    HB2  LEU  65           1HB      LEU  65   4.320  -5.607  14.429
  478    HB3  LEU  65           2HB      LEU  65   3.590  -7.131  13.995
  479    HG   LEU  65           HG       LEU  65   5.032  -7.374  15.888
  480   HD11  LEU  65          1HD1      LEU  65   4.970  -9.304  14.370
  481   HD12  LEU  65          2HD1      LEU  65   6.452  -8.716  13.578
  482   HD13  LEU  65          3HD1      LEU  65   6.487  -9.193  15.279
  483   HD21  LEU  65          3HD2      LEU  65   7.397  -6.868  15.901
  484   HD22  LEU  65          1HD2      LEU  65   7.362  -6.438  14.180
  485   HD23  LEU  65          2HD2      LEU  65   6.492  -5.435  15.359
  486    H    ILE  66           H        ILE  66   5.975  -8.527  11.727
  487    HA   ILE  66           HA       ILE  66   3.569  -9.434  10.144
  488    HB   ILE  66           HB       ILE  66   4.933 -10.312   8.451
  489   HG12  ILE  66          1HG1      ILE  66   7.524  -9.134   9.097
  490   HG13  ILE  66          2HG1      ILE  66   7.066 -10.227  10.374
  491   HG21  ILE  66          1HG2      ILE  66   4.219  -7.936   8.339
  492   HG22  ILE  66          2HG2      ILE  66   5.810  -7.441   8.946
  493   HG23  ILE  66          3HG2      ILE  66   5.668  -8.300   7.400
  494   HD11  ILE  66          3HD1      ILE  66   8.370 -11.258   8.441
  495   HD12  ILE  66          1HD1      ILE  66   6.904 -12.106   8.926
  496   HD13  ILE  66          2HD1      ILE  66   6.890 -11.099   7.474
  497    H    ALA  67           H        ALA  67   4.803 -11.980   9.462
  498    HA   ALA  67           HA       ALA  67   3.861 -13.634  11.515
  499    HB1  ALA  67           1HB      ALA  67   4.155 -14.216   9.102
  500    HB2  ALA  67           2HB      ALA  67   5.922 -14.187   9.325
  501    HB3  ALA  67           3HB      ALA  67   4.942 -15.405  10.165
  502    H    GLY  68           H        GLY  68   6.942 -12.031  11.475
  503    HA2  GLY  68           1HA      GLY  68   7.649 -12.961  14.073
  504    HA3  GLY  68           2HA      GLY  68   8.556 -13.893  12.903
  505    H    PHE  69           H        PHE  69   7.926 -10.527  12.076
  506    HA   PHE  69           HA       PHE  69  10.640  -9.652  12.845
  507    HB2  PHE  69           1HB      PHE  69   9.731  -9.952   9.949
  508    HB3  PHE  69           2HB      PHE  69  11.163  -9.094  10.456
  509    HD1  PHE  69           2HD      PHE  69  13.140 -10.287  11.358
  510    HD2  PHE  69           1HD      PHE  69   9.700 -12.422   9.864
  511    HE1  PHE  69           2HE      PHE  69  14.494 -12.358  11.186
  512    HE2  PHE  69           1HE      PHE  69  11.059 -14.486   9.692
  513    HZ   PHE  69           HZ       PHE  69  13.458 -14.460  10.350
  514    H    LEU  70           H        LEU  70  11.017  -7.438  12.564
  515    HA   LEU  70           HA       LEU  70   8.621  -5.689  12.237
  516    HB2  LEU  70           1HB      LEU  70  10.222  -5.535  14.278
  517    HB3  LEU  70           2HB      LEU  70  11.412  -4.926  13.143
  518    HG   LEU  70           HG       LEU  70  10.513  -3.095  14.322
  519   HD11  LEU  70          1HD1      LEU  70  10.774  -2.748  11.801
  520   HD12  LEU  70          2HD1      LEU  70   8.995  -2.830  11.727
  521   HD13  LEU  70          3HD1      LEU  70   9.781  -1.580  12.684
  522   HD21  LEU  70          3HD2      LEU  70   8.109  -2.497  14.359
  523   HD22  LEU  70          1HD2      LEU  70   7.723  -4.020  13.531
  524   HD23  LEU  70          2HD2      LEU  70   8.444  -4.044  15.156
  525    H    TYR  71           H        TYR  71   8.361  -4.738  10.379
  526    HA   TYR  71           HA       TYR  71  10.687  -4.207   8.572
  527    HB2  TYR  71           1HB      TYR  71   7.857  -4.897   7.800
  528    HB3  TYR  71           2HB      TYR  71   9.102  -4.367   6.672
  529    HD1  TYR  71           1HD      TYR  71  11.459  -6.057   7.770
  530    HD2  TYR  71           2HD      TYR  71   7.355  -6.999   6.856
  531    HE1  TYR  71           1HE      TYR  71  12.063  -8.449   7.452
  532    HE2  TYR  71           2HE      TYR  71   7.940  -9.372   6.621
  533    HH   TYR  71           HH       TYR  71   9.677 -10.952   6.587
  534    H    VAL  72           H        VAL  72  10.911  -2.282   7.746
  535    HA   VAL  72           HA       VAL  72   9.198  -0.037   8.647
  536    HB   VAL  72           HB       VAL  72  11.899   0.037   7.264
  537   HG11  VAL  72          1HG1      VAL  72  10.564   2.108   6.943
  538   HG12  VAL  72          2HG1      VAL  72  10.332   2.229   8.703
  539   HG13  VAL  72          3HG1      VAL  72  11.951   2.402   8.000
  540   HG21  VAL  72          3HG2      VAL  72  12.843   0.673   9.461
  541   HG22  VAL  72          1HG2      VAL  72  11.275   0.327  10.223
  542   HG23  VAL  72          2HG2      VAL  72  12.211  -0.975   9.454
  543    H    ALA  73           H        ALA  73   7.718   0.651   7.196
  544    HA   ALA  73           HA       ALA  73   7.932  -0.042   4.297
  545    HB1  ALA  73           1HB      ALA  73   5.854  -0.729   5.427
  546    HB2  ALA  73           2HB      ALA  73   5.587   0.940   5.974
  547    HB3  ALA  73           3HB      ALA  73   5.535   0.548   4.240
  548    H    ASP  74           H        ASP  74   8.476   1.461   2.906
  549    HA   ASP  74           HA       ASP  74   9.033   4.229   3.838
  550    HB2  ASP  74           1HB      ASP  74  10.890   2.682   3.258
  551    HB3  ASP  74           2HB      ASP  74  10.237   2.510   1.635
  552    H    LEU  75           H        LEU  75   7.539   5.665   3.188
  553    HA   LEU  75           HA       LEU  75   5.837   5.279   0.856
  554    HB2  LEU  75           1HB      LEU  75   6.162   7.447   2.967
  555    HB3  LEU  75           2HB      LEU  75   5.090   7.657   1.609
  556    HG   LEU  75           HG       LEU  75   4.766   5.235   3.425
  557   HD11  LEU  75          1HD1      LEU  75   4.645   7.152   4.925
  558   HD12  LEU  75          2HD1      LEU  75   3.580   8.022   3.795
  559   HD13  LEU  75          3HD1      LEU  75   3.004   6.553   4.604
  560   HD21  LEU  75          3HD2      LEU  75   2.437   5.439   2.597
  561   HD22  LEU  75          1HD2      LEU  75   2.936   6.781   1.546
  562   HD23  LEU  75          2HD2      LEU  75   3.624   5.163   1.299
  563    H    GLU  76           H        GLU  76   8.931   6.746   1.309
  564    HA   GLU  76           HA       GLU  76   8.724   8.839  -0.682
  565    HB2  GLU  76           1HB      GLU  76  11.162   7.397   0.448
  566    HB3  GLU  76           2HB      GLU  76  11.194   8.826  -0.566
  567    HG2  GLU  76           1HG      GLU  76   9.912  10.020   1.236
  568    HG3  GLU  76           2HG      GLU  76  10.012   8.566   2.225
  569    H    ASN  77           H        ASN  77  10.242   5.626  -0.673
  570    HA   ASN  77           HA       ASN  77  10.663   5.662  -3.617
  571    HB2  ASN  77           1HB      ASN  77  11.757   3.876  -1.404
  572    HB3  ASN  77           2HB      ASN  77  12.242   3.828  -3.096
  573   HD21  ASN  77          2HD2      ASN  77  12.309   5.846  -0.111
  574   HD22  ASN  77          1HD2      ASN  77  13.728   6.755  -0.614
  575    H    MET  78           H        MET  78   8.469   4.473  -1.384
  576    HA   MET  78           HA       MET  78   6.876   2.839  -1.252
  577    HB2  MET  78           1HB      MET  78   7.014   2.803  -4.270
  578    HB3  MET  78           2HB      MET  78   5.742   2.105  -3.248
  579    HG2  MET  78           1HG      MET  78   6.165   4.931  -2.593
  580    HG3  MET  78           2HG      MET  78   5.916   4.718  -4.313
  581    HE1  MET  78           3HE      MET  78   2.888   3.809  -0.969
  582    HE2  MET  78           1HE      MET  78   4.441   2.955  -1.059
  583    HE3  MET  78           2HE      MET  78   4.403   4.719  -0.806
  584    H    VAL  79           H        VAL  79   8.746   1.760  -0.245
  585    HA   VAL  79           HA       VAL  79   8.983  -1.021  -1.235
  586    HB   VAL  79           HB       VAL  79  11.421  -1.128  -0.702
  587   HG11  VAL  79          1HG1      VAL  79  10.737  -0.978  -3.034
  588   HG12  VAL  79          2HG1      VAL  79  10.821   0.801  -2.961
  589   HG13  VAL  79          3HG1      VAL  79  12.286  -0.180  -2.744
  590   HG21  VAL  79          3HG2      VAL  79  12.748   0.981  -0.636
  591   HG22  VAL  79          1HG2      VAL  79  11.244   1.903  -0.549
  592   HG23  VAL  79          2HG2      VAL  79  11.683   0.785   0.758
  593    H    GLN  80           H        GLN  80  10.144  -2.401   0.580
  594    HA   GLN  80           HA       GLN  80  10.013  -1.222   3.251
  595    HB2  GLN  80           1HB      GLN  80   8.501  -2.889   4.187
  596    HB3  GLN  80           2HB      GLN  80   7.726  -1.980   2.908
  597    HG2  GLN  80           1HG      GLN  80   7.009  -4.085   2.396
  598    HG3  GLN  80           2HG      GLN  80   8.390  -3.971   1.333
  599   HE21  GLN  80          2HE2      GLN  80   8.025  -6.401   1.371
  600   HE22  GLN  80          1HE2      GLN  80   8.666  -7.312   2.737
  601    H    TYR  81           H        TYR  81  11.148  -2.299   4.841
  602    HA   TYR  81           HA       TYR  81  12.944  -4.545   4.216
  603    HB2  TYR  81           1HB      TYR  81  14.947  -3.001   4.602
  604    HB3  TYR  81           2HB      TYR  81  14.148  -2.905   3.060
  605    HD1  TYR  81           1HD      TYR  81  14.284  -1.158   6.405
  606    HD2  TYR  81           2HD      TYR  81  13.379  -0.848   2.204
  607    HE1  TYR  81           1HE      TYR  81  14.104   1.300   6.627
  608    HE2  TYR  81           2HE      TYR  81  13.235   1.604   2.398
  609    HH   TYR  81           HH       TYR  81  13.273   3.436   3.864
  610    H    ARG  82           H        ARG  82  14.511  -4.966   6.072
  611    HA   ARG  82           HA       ARG  82  13.253  -4.606   8.701
  612    HB2  ARG  82           1HB      ARG  82  15.930  -5.762   7.829
  613    HB3  ARG  82           2HB      ARG  82  15.436  -5.611   9.517
  614    HG2  ARG  82           1HG      ARG  82  13.398  -7.002   8.993
  615    HG3  ARG  82           2HG      ARG  82  14.062  -7.256   7.366
  616    HD2  ARG  82           1HD      ARG  82  14.588  -9.162   8.760
  617    HD3  ARG  82           2HD      ARG  82  16.082  -8.305   8.373
  618    HE   ARG  82           HE       ARG  82  14.582  -8.054  10.966
  619   HH11  ARG  82          1HH1      ARG  82  17.801  -8.247   9.376
  620   HH12  ARG  82          2HH1      ARG  82  18.591  -8.253  10.919
  621   HH21  ARG  82          1HH2      ARG  82  15.736  -7.993  12.854
  622   HH22  ARG  82          2HH2      ARG  82  17.469  -8.057  12.829
  623    H    ARG  83           H        ARG  83  13.986  -3.346  10.414
  624    HA   ARG  83           HA       ARG  83  15.028  -0.768  10.049
  625    HB2  ARG  83           1HB      ARG  83  15.137  -2.624  12.463
  626    HB3  ARG  83           2HB      ARG  83  15.667  -0.941  12.511
  627    HG2  ARG  83           1HG      ARG  83  13.431  -0.141  11.938
  628    HG3  ARG  83           2HG      ARG  83  12.853  -1.803  11.746
  629    HD2  ARG  83           1HD      ARG  83  12.170  -0.904  13.930
  630    HD3  ARG  83           2HD      ARG  83  13.225  -2.294  14.097
  631    HE   ARG  83           HE       ARG  83  14.993  -0.934  14.865
  632   HH11  ARG  83          1HH1      ARG  83  12.032   1.030  14.519
  633   HH12  ARG  83          2HH1      ARG  83  12.773   2.376  15.333
  634   HH21  ARG  83          1HH2      ARG  83  15.814   0.828  15.936
  635   HH22  ARG  83          2HH2      ARG  83  14.840   2.249  16.158
  636    H    ASN  84           H        ASN  84  16.859  -3.759  10.581
  637    HA   ASN  84           HA       ASN  84  19.376  -2.380  11.048
  638    HB2  ASN  84           1HB      ASN  84  18.714  -5.338  10.755
  639    HB3  ASN  84           2HB      ASN  84  20.240  -4.680  11.339
  640   HD21  ASN  84          2HD2      ASN  84  20.351  -3.777  13.487
  641   HD22  ASN  84          1HD2      ASN  84  19.029  -4.002  14.619
  642    H    GLU  85           H        GLU  85  17.850  -3.299   8.088
  643    HA   GLU  85           HA       GLU  85  20.288  -2.906   6.571
  644    HB2  GLU  85           1HB      GLU  85  20.455  -5.072   5.528
  645    HB3  GLU  85           2HB      GLU  85  20.643  -5.213   7.272
  646    HG2  GLU  85           1HG      GLU  85  18.070  -5.763   7.236
  647    HG3  GLU  85           2HG      GLU  85  18.354  -6.118   5.531
  648    H    HIS  86           H        HIS  86  19.620  -1.561   5.113
  649    HA   HIS  86           HA       HIS  86  16.928  -1.617   3.948
  650    HB2  HIS  86           1HB      HIS  86  17.640   0.462   2.905
  651    HB3  HIS  86           2HB      HIS  86  18.002   0.472   4.629
  652    HD2  HIS  86           2HD      HIS  86  19.682   0.541   1.194
  653    HE1  HIS  86           1HE      HIS  86  22.840   0.824   4.036
  654    HE2  HIS  86           2HE      HIS  86  22.252   0.971   1.559
  655    H    GLY  87           H        GLY  87  20.018  -2.859   3.081
  656    HA2  GLY  87           1HA      GLY  87  19.809  -2.864   0.216
  657    HA3  GLY  87           2HA      GLY  87  20.902  -3.873   1.189
  658    H    ARG  88           H        ARG  88  18.195  -4.852   2.499
  659    HA   ARG  88           HA       ARG  88  17.614  -7.010   0.543
  660    HB2  ARG  88           1HB      ARG  88  16.885  -6.666   3.485
  661    HB3  ARG  88           2HB      ARG  88  16.454  -8.060   2.501
  662    HG2  ARG  88           1HG      ARG  88  19.276  -7.232   3.275
  663    HG3  ARG  88           2HG      ARG  88  18.337  -8.603   3.868
  664    HD2  ARG  88           1HD      ARG  88  18.240  -9.204   1.241
  665    HD3  ARG  88           2HD      ARG  88  19.699  -8.221   1.206
  666    HE   ARG  88           HE       ARG  88  20.847  -9.864   2.435
  667   HH11  ARG  88          1HH1      ARG  88  17.377 -10.747   2.395
  668   HH12  ARG  88          2HH1      ARG  88  17.758 -12.348   3.006
  669   HH21  ARG  88          1HH2      ARG  88  21.089 -12.046   3.253
  670   HH22  ARG  88          2HH2      ARG  88  19.605 -12.993   3.437
  671    H    ARG  89           H        ARG  89  16.454  -4.028   0.683
  672    HA   ARG  89           HA       ARG  89  13.757  -4.176   1.309
  673    HB2  ARG  89           1HB      ARG  89  13.463  -2.083   0.109
  674    HB3  ARG  89           2HB      ARG  89  14.935  -2.082   1.066
  675    HG2  ARG  89           1HG      ARG  89  16.235  -2.603  -1.047
  676    HG3  ARG  89           2HG      ARG  89  14.719  -2.362  -1.950
  677    HD2  ARG  89           1HD      ARG  89  14.571  -0.066  -1.102
  678    HD3  ARG  89           2HD      ARG  89  16.047  -0.300  -0.147
  679    HE   ARG  89           HE       ARG  89  16.609  -0.926  -2.862
  680   HH11  ARG  89          1HH1      ARG  89  15.919   1.953  -0.919
  681   HH12  ARG  89          2HH1      ARG  89  16.781   3.001  -2.006
  682   HH21  ARG  89          1HH2      ARG  89  17.710   0.484  -4.213
  683   HH22  ARG  89          2HH2      ARG  89  17.783   2.178  -3.839
  684    H    ARG  90           H        ARG  90  11.863  -4.421   0.336
  685    HA   ARG  90           HA       ARG  90  11.731  -5.617  -2.414
  686    HB2  ARG  90           1HB      ARG  90  10.064  -6.342   0.033
  687    HB3  ARG  90           2HB      ARG  90   9.832  -6.967  -1.605
  688    HG2  ARG  90           1HG      ARG  90  12.173  -7.920  -1.504
  689    HG3  ARG  90           2HG      ARG  90  12.242  -7.438   0.202
  690    HD2  ARG  90           1HD      ARG  90  10.221  -8.822   0.664
  691    HD3  ARG  90           2HD      ARG  90  10.201  -9.351  -1.021
  692    HE   ARG  90           HE       ARG  90  11.881 -10.359   1.124
  693   HH11  ARG  90          1HH1      ARG  90  11.894 -10.023  -2.417
  694   HH12  ARG  90          2HH1      ARG  90  13.048 -11.315  -2.581
  695   HH21  ARG  90          1HH2      ARG  90  13.242 -11.888   0.865
  696   HH22  ARG  90          2HH2      ARG  90  13.853 -12.385  -0.707
  697    H    LYS  91           H        LYS  91   9.999  -4.983  -3.684
  698    HA   LYS  91           HA       LYS  91   9.035  -2.315  -3.350
  699    HB2  LYS  91           1HB      LYS  91   8.751  -4.587  -5.275
  700    HB3  LYS  91           2HB      LYS  91   7.448  -3.443  -5.318
  701    HG2  LYS  91           1HG      LYS  91  10.393  -2.767  -5.701
  702    HG3  LYS  91           2HG      LYS  91   9.206  -2.980  -6.986
  703    HD2  LYS  91           1HD      LYS  91   9.253  -0.769  -4.907
  704    HD3  LYS  91           2HD      LYS  91   9.578  -0.621  -6.629
  705    HE2  LYS  91           1HE      LYS  91   7.267  -1.093  -7.201
  706    HE3  LYS  91           2HE      LYS  91   6.884  -1.520  -5.526
  707    HZ1  LYS  91           3HZ      LYS  91   6.151   0.683  -5.926
  708    HZ2  LYS  91           1HZ      LYS  91   7.401   0.737  -4.873
  709    HZ3  LYS  91           2HZ      LYS  91   7.634   1.182  -6.445
  710    H    ILE  92           H        ILE  92   7.074  -1.403  -2.922
  711    HA   ILE  92           HA       ILE  92   4.745  -3.158  -2.327
  712    HB   ILE  92           HB       ILE  92   3.994  -1.843  -0.492
  713   HG12  ILE  92          1HG1      ILE  92   6.414  -0.107  -0.924
  714   HG13  ILE  92          2HG1      ILE  92   4.732   0.348  -1.198
  715   HG21  ILE  92          1HG2      ILE  92   5.640  -3.674  -0.034
  716   HG22  ILE  92          2HG2      ILE  92   6.922  -2.446   0.046
  717   HG23  ILE  92          3HG2      ILE  92   5.578  -2.415   1.207
  718   HD11  ILE  92          3HD1      ILE  92   5.430   1.370   0.821
  719   HD12  ILE  92          1HD1      ILE  92   4.350   0.027   1.287
  720   HD13  ILE  92          2HD1      ILE  92   6.111  -0.138   1.459
  721    H    LYS  93           H        LYS  93   2.682  -2.014  -2.496
  722    HA   LYS  93           HA       LYS  93   2.570   0.458  -4.037
  723    HB2  LYS  93           1HB      LYS  93   1.528  -0.407  -6.015
  724    HB3  LYS  93           2HB      LYS  93   3.034  -1.292  -5.803
  725    HG2  LYS  93           1HG      LYS  93   1.823  -3.230  -4.911
  726    HG3  LYS  93           2HG      LYS  93   0.295  -2.338  -4.936
  727    HD2  LYS  93           1HD      LYS  93   0.351  -2.162  -7.359
  728    HD3  LYS  93           2HD      LYS  93   1.895  -3.046  -7.419
  729    HE2  LYS  93           1HE      LYS  93   0.897  -5.051  -6.561
  730    HE3  LYS  93           2HE      LYS  93  -0.568  -4.203  -6.046
  731    HZ1  LYS  93           3HZ      LYS  93  -0.838  -5.497  -8.124
  732    HZ2  LYS  93           1HZ      LYS  93  -1.245  -3.928  -8.278
  733    HZ3  LYS  93           2HZ      LYS  93   0.186  -4.478  -8.895
  734    H    ARG  94           H        ARG  94   0.269   0.967  -4.652
  735    HA   ARG  94           HA       ARG  94  -1.761  -0.178  -2.780
  736    HB2  ARG  94           1HB      ARG  94  -1.547   2.675  -3.814
  737    HB3  ARG  94           2HB      ARG  94  -2.972   1.994  -3.017
  738    HG2  ARG  94           1HG      ARG  94  -1.570   1.459  -1.012
  739    HG3  ARG  94           2HG      ARG  94  -0.204   2.303  -1.761
  740    HD2  ARG  94           1HD      ARG  94  -2.920   3.515  -1.103
  741    HD3  ARG  94           2HD      ARG  94  -1.461   3.718  -0.135
  742    HE   ARG  94           HE       ARG  94  -0.471   4.699  -2.336
  743   HH11  ARG  94          1HH1      ARG  94  -3.781   5.307  -1.196
  744   HH12  ARG  94          2HH1      ARG  94  -3.854   6.846  -2.026
  745   HH21  ARG  94          1HH2      ARG  94  -0.696   6.689  -3.380
  746   HH22  ARG  94          2HH2      ARG  94  -2.195   7.581  -3.227
  747    H    ASP  95           H        ASP  95  -3.649  -0.787  -3.680
  748    HA   ASP  95           HA       ASP  95  -4.158  -0.440  -6.588
  749    HB2  ASP  95           1HB      ASP  95  -3.058  -2.806  -5.573
  750    HB3  ASP  95           2HB      ASP  95  -4.797  -3.128  -5.550
  751    H    ILE  96           H        ILE  96  -6.393  -1.737  -6.973
  752    HA   ILE  96           HA       ILE  96  -8.360  -0.645  -4.982
  753    HB   ILE  96           HB       ILE  96  -8.501  -0.442  -7.997
  754   HG12  ILE  96          1HG1      ILE  96  -6.816   1.127  -7.089
  755   HG13  ILE  96          2HG1      ILE  96  -8.196   1.942  -7.799
  756   HG21  ILE  96          1HG2      ILE  96 -10.748  -0.598  -7.139
  757   HG22  ILE  96          2HG2      ILE  96 -10.395   0.469  -5.764
  758   HG23  ILE  96          3HG2      ILE  96 -10.477   1.120  -7.420
  759   HD11  ILE  96          3HD1      ILE  96  -7.354   2.915  -5.607
  760   HD12  ILE  96          1HD1      ILE  96  -9.089   2.538  -5.676
  761   HD13  ILE  96          2HD1      ILE  96  -7.992   1.453  -4.811
  762    H    ILE  97           H        ILE  97 -10.046  -1.808  -4.549
  763    HA   ILE  97           HA       ILE  97 -10.443  -4.487  -5.802
  764    HB   ILE  97           HB       ILE  97 -11.855  -3.268  -3.422
  765   HG12  ILE  97          1HG1      ILE  97 -10.487  -5.245  -2.306
  766   HG13  ILE  97          2HG1      ILE  97  -9.355  -4.950  -3.619
  767   HG21  ILE  97          1HG2      ILE  97 -13.238  -4.885  -4.491
  768   HG22  ILE  97          2HG2      ILE  97 -11.899  -6.059  -4.595
  769   HG23  ILE  97          3HG2      ILE  97 -12.593  -5.601  -3.017
  770   HD11  ILE  97          3HD1      ILE  97  -9.137  -3.696  -1.306
  771   HD12  ILE  97          1HD1      ILE  97  -8.823  -2.788  -2.804
  772   HD13  ILE  97          2HD1      ILE  97 -10.371  -2.619  -1.934
  773    H    ASP  98           H        ASP  98 -12.180  -4.975  -7.006
  774    HA   ASP  98           HA       ASP  98 -13.974  -2.763  -7.838
  775    HB2  ASP  98           1HB      ASP  98 -12.539  -3.944  -9.503
  776    HB3  ASP  98           2HB      ASP  98 -13.417  -5.435  -9.168
  777    H    ILE  99           H        ILE  99 -14.144  -5.779  -6.204
  778    HA   ILE  99           HA       ILE  99 -15.706  -6.806  -4.962
  779    HB   ILE  99           HB       ILE  99 -17.650  -4.602  -5.634
  780   HG12  ILE  99          1HG1      ILE  99 -15.603  -3.705  -4.526
  781   HG13  ILE  99          2HG1      ILE  99 -17.062  -3.514  -3.580
  782   HG21  ILE  99          1HG2      ILE  99 -18.856  -6.510  -4.805
  783   HG22  ILE  99          2HG2      ILE  99 -17.747  -6.681  -3.430
  784   HG23  ILE  99          3HG2      ILE  99 -18.808  -5.266  -3.560
  785   HD11  ILE  99          3HD1      ILE  99 -15.040  -4.192  -2.259
  786   HD12  ILE  99          1HD1      ILE  99 -16.420  -5.284  -2.058
  787   HD13  ILE  99          2HD1      ILE  99 -15.058  -5.760  -3.092
  788    HA   PRO 100           HA       PRO 100 -17.631  -9.231  -8.214
  789    HB2  PRO 100           1HB      PRO 100 -18.216 -11.498  -6.838
  790    HB3  PRO 100           2HB      PRO 100 -16.536 -11.006  -7.188
  791    HG2  PRO 100           1HG      PRO 100 -18.132 -10.546  -4.636
  792    HG3  PRO 100           2HG      PRO 100 -16.475 -11.214  -4.792
  793    HD2  PRO 100           1HD      PRO 100 -16.980  -8.558  -4.252
  794    HD3  PRO 100           2HD      PRO 100 -15.563  -9.089  -5.203
  795    H    LYS 101           H        LYS 101 -19.685 -10.256  -8.697
  796    HA   LYS 101           HA       LYS 101 -21.984  -8.775  -7.811
  797    HB2  LYS 101           1HB      LYS 101 -23.298 -10.316  -9.150
  798    HB3  LYS 101           2HB      LYS 101 -21.879  -9.740 -10.019
  799    HG2  LYS 101           1HG      LYS 101 -20.731 -11.903  -9.640
  800    HG3  LYS 101           2HG      LYS 101 -22.079 -12.464  -8.650
  801    HD2  LYS 101           1HD      LYS 101 -22.240 -13.450 -10.862
  802    HD3  LYS 101           2HD      LYS 101 -23.601 -12.381 -10.554
  803    HE2  LYS 101           1HE      LYS 101 -22.917 -12.047 -12.820
  804    HE3  LYS 101           2HE      LYS 101 -22.501 -10.592 -11.918
  805    HZ1  LYS 101           3HZ      LYS 101 -20.702 -11.307 -13.390
  806    HZ2  LYS 101           1HZ      LYS 101 -20.194 -11.392 -11.841
  807    HZ3  LYS 101           2HZ      LYS 101 -20.599 -12.757 -12.650
  808    H    LYS 102           H        LYS 102 -20.582 -11.749  -6.612
  809    HA   LYS 102           HA       LYS 102 -22.653 -12.677  -4.900
  810    HB2  LYS 102           1HB      LYS 102 -20.565 -13.853  -5.613
  811    HB3  LYS 102           2HB      LYS 102 -19.624 -12.812  -4.537
  812    HG2  LYS 102           1HG      LYS 102 -20.855 -13.713  -2.582
  813    HG3  LYS 102           2HG      LYS 102 -21.846 -14.718  -3.648
  814    HD2  LYS 102           1HD      LYS 102 -18.815 -14.917  -3.332
  815    HD3  LYS 102           2HD      LYS 102 -19.999 -15.943  -2.510
  816    HE2  LYS 102           1HE      LYS 102 -20.842 -16.737  -4.723
  817    HE3  LYS 102           2HE      LYS 102 -19.610 -15.761  -5.534
  818    HZ1  LYS 102           3HZ      LYS 102 -18.884 -18.053  -5.271
  819    HZ2  LYS 102           1HZ      LYS 102 -17.911 -17.078  -4.394
  820    HZ3  LYS 102           2HZ      LYS 102 -19.053 -17.984  -3.648
  821    H    GLY 103           H        GLY 103 -20.621  -9.857  -4.552
  822    HA2  GLY 103           1HA      GLY 103 -21.137  -9.431  -1.695
  823    HA3  GLY 103           2HA      GLY 103 -20.319  -8.337  -2.844
  824    H    VAL 104           H        VAL 104 -23.048  -8.903  -4.452
  825    HA   VAL 104           HA       VAL 104 -24.313  -6.411  -3.487
  826    HB   VAL 104           HB       VAL 104 -25.054  -8.132  -5.886
  827   HG11  VAL 104          1HG1      VAL 104 -26.962  -6.763  -5.105
  828   HG12  VAL 104          2HG1      VAL 104 -25.929  -5.319  -5.073
  829   HG13  VAL 104          3HG1      VAL 104 -26.314  -6.115  -6.614
  830   HG21  VAL 104          3HG2      VAL 104 -23.971  -6.342  -7.216
  831   HG22  VAL 104          1HG2      VAL 104 -23.441  -5.545  -5.718
  832   HG23  VAL 104          2HG2      VAL 104 -22.803  -7.142  -6.162
  833    H    SER 105           H        SER 105 -25.481  -6.666  -1.730
  834    HA   SER 105           HA       SER 105 -27.779  -8.521  -1.565
  835    HB2  SER 105           1HB      SER 105 -25.424  -8.577   0.372
  836    HB3  SER 105           2HB      SER 105 -27.005  -9.295   0.703
  837    HG   SER 105           HG       SER 105 -25.490 -10.837  -0.098
  838    H    GLY 106           H        GLY 106 -29.263  -7.949   0.133
  839    HA2  GLY 106           1HA      GLY 106 -29.327  -5.122   0.826
  840    HA3  GLY 106           2HA      GLY 106 -30.514  -6.352   1.293
  841    HA   PRO 107           HA       PRO 107 -27.428  -5.388   4.829
  842    HB2  PRO 107           1HB      PRO 107 -28.432  -3.232   6.136
  843    HB3  PRO 107           2HB      PRO 107 -27.408  -3.062   4.678
  844    HG2  PRO 107           1HG      PRO 107 -30.445  -3.025   4.821
  845    HG3  PRO 107           2HG      PRO 107 -29.363  -1.837   4.022
  846    HD2  PRO 107           1HD      PRO 107 -30.541  -3.886   2.645
  847    HD3  PRO 107           2HD      PRO 107 -28.889  -3.320   2.254
  848    H    SER 108           H        SER 108 -27.785  -5.834   7.107
  849    HA   SER 108           HA       SER 108 -30.178  -7.442   7.617
  850    HB2  SER 108           1HB      SER 108 -28.923  -8.045   9.683
  851    HB3  SER 108           2HB      SER 108 -28.029  -8.340   8.187
  852    HG   SER 108           HG       SER 108 -26.729  -7.313   9.809
  853    H    SER 109           H        SER 109 -29.671  -4.175   7.980
  854    HA   SER 109           HA       SER 109 -31.896  -3.767   9.788
  855    HB2  SER 109           1HB      SER 109 -29.967  -4.289  11.362
  856    HB3  SER 109           2HB      SER 109 -29.176  -2.821  10.762
  857    HG   SER 109           HG       SER 109 -30.425  -2.478  12.698
  858    H    GLY 110           H        GLY 110 -32.252  -1.382  10.163
  859    HA2  GLY 110           1HA      GLY 110 -31.021   0.671   8.607
  860    HA3  GLY 110           2HA      GLY 110 -32.395   0.036   7.700
  861   H5'1  ATP 201          H5"       ATP 111  11.507 -14.380   5.273
  862   H5'2  ATP 201          H5'       ATP 111  11.319 -12.993   6.343
  863    H4'  ATP 201           H4'      ATP 111   9.409 -14.484   6.507
  864    H3'  ATP 201           H3'      ATP 111   9.635 -15.032   3.822
  865   HO3'  ATP 201          H3T       ATP 111   7.298 -15.690   4.124
  866    H2'  ATP 201           H2'      ATP 111   8.959 -12.882   3.086
  867   HO2'  ATP 201          2HO       ATP 111   7.470 -14.338   2.081
  868    H1'  ATP 201           H1'      ATP 111   6.764 -12.903   5.164
  869    H8   ATP 201           8H       ATP 111   9.516 -10.576   3.623
  870   HN61  ATP 201          2H6       ATP 111   6.566  -6.645   3.245
  871   HN62  ATP 201          1H6       ATP 111   4.898  -6.373   3.755
  872    H2   ATP 201           2H       ATP 111   3.459  -9.965   5.709
  Start of MODEL   14
    1    HA   PRO   1           HA       PRO   1  12.407  23.124  11.908
    2    HB2  PRO   1           1HB      PRO   1  14.074  20.745  11.094
    3    HB3  PRO   1           2HB      PRO   1  13.700  22.242  10.189
    4    HG2  PRO   1           1HG      PRO   1  15.982  21.692  11.906
    5    HG3  PRO   1           2HG      PRO   1  15.616  23.238  11.085
    6    HD2  PRO   1           1HD      PRO   1  15.573  22.962  13.834
    7    HD3  PRO   1           2HD      PRO   1  14.565  24.122  12.933
    8    H    SER   2           H        SER   2  10.732  21.988  10.717
    9    HA   SER   2           HA       SER   2   9.268  20.096  12.361
   10    HB2  SER   2           1HB      SER   2   8.650  21.110   9.566
   11    HB3  SER   2           2HB      SER   2   7.521  20.351  10.700
   12    HG   SER   2           HG       SER   2   7.361  22.657  10.723
   13    H    SER   3           H        SER   3  11.526  19.615   9.816
   14    HA   SER   3           HA       SER   3  12.357  17.801   8.738
   15    HB2  SER   3           1HB      SER   3  10.928  16.217  10.897
   16    HB3  SER   3           2HB      SER   3  12.210  15.620   9.835
   17    HG   SER   3           HG       SER   3  13.013  16.328  11.889
   18    H    GLY   4           H        GLY   4   9.202  18.457   8.351
   19    HA2  GLY   4           1HA      GLY   4   8.838  17.016   5.913
   20    HA3  GLY   4           2HA      GLY   4   8.001  16.171   7.203
   21    H    SER   5           H        SER   5   6.046  16.652   6.026
   22    HA   SER   5           HA       SER   5   4.856  19.330   6.570
   23    HB2  SER   5           1HB      SER   5   4.906  17.957   3.853
   24    HB3  SER   5           2HB      SER   5   3.940  19.382   4.264
   25    HG   SER   5           HG       SER   5   5.924  19.926   3.204
   26    H    SER   6           H        SER   6   2.523  19.324   6.626
   27    HA   SER   6           HA       SER   6   1.383  16.786   7.518
   28    HB2  SER   6           1HB      SER   6  -0.546  18.270   8.102
   29    HB3  SER   6           2HB      SER   6   0.997  18.762   8.812
   30    HG   SER   6           HG       SER   6  -0.178  20.545   7.896
   31    H    GLY   7           H        GLY   7   1.708  17.918   4.439
   32    HA2  GLY   7           1HA      GLY   7  -0.974  17.443   3.372
   33    HA3  GLY   7           2HA      GLY   7   0.506  17.753   2.448
   34    H    PHE   8           H        PHE   8  -1.191  16.043   1.430
   35    HA   PHE   8           HA       PHE   8  -0.660  13.253   2.066
   36    HB2  PHE   8           1HB      PHE   8  -2.055  12.826   0.096
   37    HB3  PHE   8           2HB      PHE   8  -2.810  13.957   1.192
   38    HD1  PHE   8           1HD      PHE   8  -1.089  13.624  -2.096
   39    HD2  PHE   8           2HD      PHE   8  -3.313  16.239   0.516
   40    HE1  PHE   8           1HE      PHE   8  -1.383  15.235  -3.957
   41    HE2  PHE   8           2HE      PHE   8  -3.603  17.850  -1.349
   42    HZ   PHE   8           HZ       PHE   8  -2.636  17.355  -3.589
   43    H    LEU   9           H        LEU   9  -0.077  11.824   0.070
   44    HA   LEU   9           HA       LEU   9   2.179  12.831  -1.536
   45    HB2  LEU   9           1HB      LEU   9   3.171  12.114   0.626
   46    HB3  LEU   9           2HB      LEU   9   2.374  10.549   0.482
   47    HG   LEU   9           HG       LEU   9   3.751  10.017  -1.516
   48   HD11  LEU   9          1HD1      LEU   9   4.207  12.278  -2.399
   49   HD12  LEU   9          2HD1      LEU   9   5.130  12.681  -0.935
   50   HD13  LEU   9          3HD1      LEU   9   5.721  11.438  -2.060
   51   HD21  LEU   9          3HD2      LEU   9   5.881   9.726  -0.307
   52   HD22  LEU   9          1HD2      LEU   9   5.355  10.891   0.926
   53   HD23  LEU   9          2HD2      LEU   9   4.498   9.346   0.731
   54    H    ASP  10           H        ASP  10   2.381  11.762  -3.457
   55    HA   ASP  10           HA       ASP  10   0.978   9.241  -4.058
   56    HB2  ASP  10           1HB      ASP  10   0.353  11.936  -5.304
   57    HB3  ASP  10           2HB      ASP  10  -0.030  10.414  -6.105
   58    H    LYS  11           H        LYS  11   1.450   8.587  -6.358
   59    HA   LYS  11           HA       LYS  11   4.190   9.378  -7.223
   60    HB2  LYS  11           1HB      LYS  11   2.952   6.659  -6.666
   61    HB3  LYS  11           2HB      LYS  11   4.219   6.787  -7.857
   62    HG2  LYS  11           1HG      LYS  11   5.148   8.304  -5.620
   63    HG3  LYS  11           2HG      LYS  11   4.416   6.851  -4.940
   64    HD2  LYS  11           1HD      LYS  11   5.843   5.442  -6.376
   65    HD3  LYS  11           2HD      LYS  11   6.532   6.877  -7.153
   66    HE2  LYS  11           1HE      LYS  11   6.727   6.285  -4.163
   67    HE3  LYS  11           2HE      LYS  11   7.968   5.829  -5.336
   68    HZ1  LYS  11           3HZ      LYS  11   8.415   7.952  -4.199
   69    HZ2  LYS  11           1HZ      LYS  11   8.328   8.151  -5.829
   70    HZ3  LYS  11           2HZ      LYS  11   7.089   8.624  -4.860
   71    HA   PRO  12           HA       PRO  12   2.804  10.163 -11.177
   72    HB2  PRO  12           1HB      PRO  12   4.833   9.400 -12.855
   73    HB3  PRO  12           2HB      PRO  12   4.975  10.720 -11.662
   74    HG2  PRO  12           1HG      PRO  12   5.810   7.820 -11.359
   75    HG3  PRO  12           2HG      PRO  12   6.798   9.285 -11.024
   76    HD2  PRO  12           1HD      PRO  12   5.491   7.977  -9.040
   77    HD3  PRO  12           2HD      PRO  12   5.579   9.751  -9.034
   78    H    THR  13           H        THR  13   2.574   9.344 -13.475
   79    HA   THR  13           HA       THR  13   1.770   6.628 -13.987
   80    HB   THR  13           HB       THR  13   0.081   7.293 -12.259
   81    HG1  THR  13           1HG      THR  13  -0.717   5.826 -13.586
   82   HG21  THR  13          3HG2      THR  13  -1.500   8.975 -12.624
   83   HG22  THR  13          1HG2      THR  13   0.032   9.759 -12.970
   84   HG23  THR  13          2HG2      THR  13  -1.009   9.242 -14.314
   85    H    LEU  14           H        LEU  14   0.200   6.680 -15.888
   86    HA   LEU  14           HA       LEU  14   1.220   8.566 -17.986
   87    HB2  LEU  14           1HB      LEU  14  -0.127   5.846 -18.158
   88    HB3  LEU  14           2HB      LEU  14   0.502   6.739 -19.527
   89    HG   LEU  14           HG       LEU  14   2.486   6.154 -17.319
   90   HD11  LEU  14          1HD1      LEU  14   1.177   4.103 -17.411
   91   HD12  LEU  14          2HD1      LEU  14   1.403   4.003 -19.173
   92   HD13  LEU  14          3HD1      LEU  14   2.806   3.849 -18.080
   93   HD21  LEU  14          3HD2      LEU  14   3.992   5.810 -19.210
   94   HD22  LEU  14          1HD2      LEU  14   2.644   5.957 -20.357
   95   HD23  LEU  14          2HD2      LEU  14   3.144   7.358 -19.383
   96    H    LEU  15           H        LEU  15  -1.568   7.668 -16.172
   97    HA   LEU  15           HA       LEU  15  -3.583   8.500 -18.091
   98    HB2  LEU  15           1HB      LEU  15  -4.002   8.241 -15.100
   99    HB3  LEU  15           2HB      LEU  15  -5.189   8.110 -16.379
  100    HG   LEU  15           HG       LEU  15  -3.010   6.099 -15.708
  101   HD11  LEU  15          1HD1      LEU  15  -4.981   6.140 -14.204
  102   HD12  LEU  15          2HD1      LEU  15  -6.051   5.910 -15.604
  103   HD13  LEU  15          3HD1      LEU  15  -4.898   4.639 -15.140
  104   HD21  LEU  15          3HD2      LEU  15  -4.031   4.648 -17.460
  105   HD22  LEU  15          1HD2      LEU  15  -5.036   6.017 -17.990
  106   HD23  LEU  15          2HD2      LEU  15  -3.264   6.082 -18.143
  107    H    SER  16           H        SER  16  -5.368   9.968 -17.111
  108    HA   SER  16           HA       SER  16  -4.320  12.705 -16.883
  109    HB2  SER  16           1HB      SER  16  -6.994  11.408 -17.424
  110    HB3  SER  16           2HB      SER  16  -6.853  13.100 -17.132
  111    HG   SER  16           HG       SER  16  -6.757  12.595 -19.401
  112    HA   PRO  17           HA       PRO  17  -5.195  13.139 -12.551
  113    HB2  PRO  17           1HB      PRO  17  -6.182  15.693 -12.366
  114    HB3  PRO  17           2HB      PRO  17  -4.468  15.315 -12.720
  115    HG2  PRO  17           1HG      PRO  17  -6.675  15.970 -14.701
  116    HG3  PRO  17           2HG      PRO  17  -5.022  16.661 -14.615
  117    HD2  PRO  17           1HD      PRO  17  -5.624  14.630 -16.318
  118    HD3  PRO  17           2HD      PRO  17  -4.042  14.701 -15.473
  119    H    GLU  18           H        GLU  18  -7.791  13.525 -14.883
  120    HA   GLU  18           HA       GLU  18  -9.962  13.430 -12.932
  121    HB2  GLU  18           1HB      GLU  18 -10.005  12.956 -15.939
  122    HB3  GLU  18           2HB      GLU  18 -11.397  13.278 -14.910
  123    HG2  GLU  18           1HG      GLU  18  -9.118  15.214 -15.536
  124    HG3  GLU  18           2HG      GLU  18 -10.739  15.255 -16.211
  125    H    GLU  19           H        GLU  19  -8.135  11.055 -14.824
  126    HA   GLU  19           HA       GLU  19 -10.045   8.882 -14.739
  127    HB2  GLU  19           1HB      GLU  19  -7.074   9.155 -15.293
  128    HB3  GLU  19           2HB      GLU  19  -7.800   7.576 -15.168
  129    HG2  GLU  19           1HG      GLU  19  -8.659   9.763 -17.111
  130    HG3  GLU  19           2HG      GLU  19  -7.566   8.432 -17.489
  131    H    LEU  20           H        LEU  20  -7.112   9.623 -12.937
  132    HA   LEU  20           HA       LEU  20  -7.068   7.371 -11.184
  133    HB2  LEU  20           1HB      LEU  20  -5.966  10.171 -10.728
  134    HB3  LEU  20           2HB      LEU  20  -5.388   8.713  -9.951
  135    HG   LEU  20           HG       LEU  20  -5.275   8.769 -12.978
  136   HD11  LEU  20          1HD1      LEU  20  -4.593  11.045 -12.200
  137   HD12  LEU  20          2HD1      LEU  20  -3.250  10.288 -11.319
  138   HD13  LEU  20          3HD1      LEU  20  -3.372  10.150 -13.102
  139   HD21  LEU  20          3HD2      LEU  20  -3.260   7.498 -12.657
  140   HD22  LEU  20          1HD2      LEU  20  -3.269   7.808 -10.908
  141   HD23  LEU  20          2HD2      LEU  20  -4.531   6.794 -11.646
  142    H    LYS  21           H        LYS  21  -8.222  10.704 -10.696
  143    HA   LYS  21           HA       LYS  21  -9.377  10.320  -8.089
  144    HB2  LYS  21           1HB      LYS  21  -9.656  12.354 -10.295
  145    HB3  LYS  21           2HB      LYS  21 -10.868  12.327  -9.029
  146    HG2  LYS  21           1HG      LYS  21  -9.039  13.934  -8.598
  147    HG3  LYS  21           2HG      LYS  21  -9.313  12.774  -7.300
  148    HD2  LYS  21           1HD      LYS  21  -7.319  11.514  -7.893
  149    HD3  LYS  21           2HD      LYS  21  -7.083  12.492  -9.352
  150    HE2  LYS  21           1HE      LYS  21  -6.788  14.519  -7.946
  151    HE3  LYS  21           2HE      LYS  21  -7.049  13.552  -6.488
  152    HZ1  LYS  21           3HZ      LYS  21  -4.690  13.879  -6.923
  153    HZ2  LYS  21           1HZ      LYS  21  -5.044  12.290  -7.045
  154    HZ3  LYS  21           2HZ      LYS  21  -4.802  13.184  -8.396
  155    H    ALA  22           H        ALA  22 -10.850   9.845 -11.360
  156    HA   ALA  22           HA       ALA  22 -13.447   9.171 -10.310
  157    HB1  ALA  22           1HB      ALA  22 -13.103   9.881 -12.630
  158    HB2  ALA  22           2HB      ALA  22 -12.124   8.436 -12.960
  159    HB3  ALA  22           3HB      ALA  22 -13.850   8.276 -12.583
  160    H    ALA  23           H        ALA  23 -10.653   7.082 -11.191
  161    HA   ALA  23           HA       ALA  23 -11.855   4.578 -10.613
  162    HB1  ALA  23           1HB      ALA  23  -9.720   4.916 -11.848
  163    HB2  ALA  23           2HB      ALA  23  -8.938   5.451 -10.338
  164    HB3  ALA  23           3HB      ALA  23  -9.520   3.783 -10.494
  165    H    SER  24           H        SER  24 -10.129   6.825  -8.440
  166    HA   SER  24           HA       SER  24 -10.346   5.098  -6.109
  167    HB2  SER  24           1HB      SER  24  -8.569   6.783  -6.493
  168    HB3  SER  24           2HB      SER  24  -9.766   8.075  -6.285
  169    HG   SER  24           HG       SER  24  -8.624   7.589  -4.322
  170    H    ARG  25           H        ARG  25 -12.040   8.156  -6.960
  171    HA   ARG  25           HA       ARG  25 -13.736   8.176  -4.687
  172    HB2  ARG  25           1HB      ARG  25 -13.059  10.102  -6.133
  173    HB3  ARG  25           2HB      ARG  25 -14.167   9.528  -7.372
  174    HG2  ARG  25           1HG      ARG  25 -15.112  11.364  -6.089
  175    HG3  ARG  25           2HG      ARG  25 -16.089   9.913  -5.891
  176    HD2  ARG  25           1HD      ARG  25 -15.108   9.536  -3.658
  177    HD3  ARG  25           2HD      ARG  25 -14.019  10.923  -3.891
  178    HE   ARG  25           HE       ARG  25 -16.703  11.786  -4.264
  179   HH11  ARG  25          1HH2      ARG  25 -14.639  10.726  -1.591
  180   HH12  ARG  25          2HH2      ARG  25 -15.535  11.640  -0.417
  181   HH21  ARG  25          1HH1      ARG  25 -17.814  12.941  -2.697
  182   HH22  ARG  25          2HH1      ARG  25 -17.308  12.877  -1.036
  183    H    GLY  26           H        GLY  26 -14.152   6.635  -7.811
  184    HA2  GLY  26           1HA      GLY  26 -16.962   6.111  -7.746
  185    HA3  GLY  26           2HA      GLY  26 -15.735   5.197  -8.657
  186    H    ASN  27           H        ASN  27 -14.437   4.680  -5.870
  187    HA   ASN  27           HA       ASN  27 -16.360   2.635  -4.822
  188    HB2  ASN  27           1HB      ASN  27 -13.478   2.362  -5.628
  189    HB3  ASN  27           2HB      ASN  27 -13.994   1.534  -4.168
  190   HD21  ASN  27          2HD2      ASN  27 -15.524  -0.142  -4.246
  191   HD22  ASN  27          1HD2      ASN  27 -15.936  -0.915  -5.788
  192    H    GLY  28           H        GLY  28 -13.278   4.209  -3.791
  193    HA2  GLY  28           1HA      GLY  28 -12.936   5.519  -1.844
  194    HA3  GLY  28           2HA      GLY  28 -14.517   5.014  -1.190
  195    H    GLU  29           H        GLU  29 -13.158   2.298  -2.371
  196    HA   GLU  29           HA       GLU  29 -12.177   1.127   0.093
  197    HB2  GLU  29           1HB      GLU  29 -12.516   0.359  -2.804
  198    HB3  GLU  29           2HB      GLU  29 -11.340  -0.503  -1.908
  199    HG2  GLU  29           1HG      GLU  29 -13.397  -1.728  -1.728
  200    HG3  GLU  29           2HG      GLU  29 -13.093  -1.013  -0.147
  201    H    TYR  30           H        TYR  30 -10.013  -0.088  -0.083
  202    HA   TYR  30           HA       TYR  30  -7.824   1.001  -1.564
  203    HB2  TYR  30           1HB      TYR  30  -6.592   2.104   0.165
  204    HB3  TYR  30           2HB      TYR  30  -8.152   2.882   0.010
  205    HD1  TYR  30           1HD      TYR  30 -10.030   2.120   1.682
  206    HD2  TYR  30           2HD      TYR  30  -5.855   1.198   2.226
  207    HE1  TYR  30           1HE      TYR  30 -10.436   1.722   4.115
  208    HE2  TYR  30           2HE      TYR  30  -6.256   0.768   4.650
  209    HH   TYR  30           HH       TYR  30  -9.505   1.119   6.135
  210    H    ALA  31           H        ALA  31  -5.913  -0.077  -1.304
  211    HA   ALA  31           HA       ALA  31  -5.559  -2.131   0.779
  212    HB1  ALA  31           1HB      ALA  31  -6.711  -3.462  -0.838
  213    HB2  ALA  31           2HB      ALA  31  -5.855  -2.715  -2.201
  214    HB3  ALA  31           3HB      ALA  31  -5.004  -3.814  -1.085
  215    H    TRP  32           H        TRP  32  -3.449  -2.975   0.833
  216    HA   TRP  32           HA       TRP  32  -1.341  -1.516  -0.687
  217    HB2  TRP  32           1HB      TRP  32  -1.373  -2.257   2.260
  218    HB3  TRP  32           2HB      TRP  32   0.099  -1.910   1.362
  219    HD1  TRP  32           HD       TRP  32  -3.190  -0.081   2.232
  220    HE1  TRP  32           1HE      TRP  32  -2.681   2.409   2.513
  221    HE3  TRP  32           3HE      TRP  32   1.798  -0.129   1.003
  222    HZ2  TRP  32           2HZ      TRP  32  -0.383   4.147   2.350
  223    HZ3  TRP  32           3HZ      TRP  32   3.113   1.975   1.111
  224    HH2  TRP  32           HH       TRP  32   2.037   4.102   1.808
  225    H    TYR  33           H        TYR  33   0.373  -2.738  -1.349
  226    HA   TYR  33           HA       TYR  33   0.271  -5.689  -0.950
  227    HB2  TYR  33           1HB      TYR  33   0.445  -4.203  -3.591
  228    HB3  TYR  33           2HB      TYR  33   0.834  -5.896  -3.408
  229    HD1  TYR  33           2HD      TYR  33  -2.007  -3.464  -2.984
  230    HD2  TYR  33           1HD      TYR  33  -0.780  -7.529  -3.759
  231    HE1  TYR  33           2HE      TYR  33  -4.373  -4.087  -3.449
  232    HE2  TYR  33           1HE      TYR  33  -3.138  -8.153  -4.221
  233    HH   TYR  33           HH       TYR  33  -5.315  -7.422  -4.380
  234    H    TYR  34           H        TYR  34   2.219  -6.795  -1.410
  235    HA   TYR  34           HA       TYR  34   4.724  -5.208  -1.712
  236    HB2  TYR  34           1HB      TYR  34   5.776  -6.371   0.101
  237    HB3  TYR  34           2HB      TYR  34   4.309  -5.621   0.701
  238    HD1  TYR  34           1HD      TYR  34   2.303  -7.022   1.269
  239    HD2  TYR  34           2HD      TYR  34   6.072  -8.782   0.124
  240    HE1  TYR  34           1HE      TYR  34   1.539  -9.213   2.145
  241    HE2  TYR  34           2HE      TYR  34   5.316 -10.978   1.013
  242    HH   TYR  34           HH       TYR  34   2.070 -11.433   2.477
  243    H    GLU  35           H        GLU  35   6.484  -6.461  -2.658
  244    HA   GLU  35           HA       GLU  35   5.636  -8.827  -4.202
  245    HB2  GLU  35           1HB      GLU  35   8.337  -7.454  -3.991
  246    HB3  GLU  35           2HB      GLU  35   7.973  -8.870  -4.990
  247    HG2  GLU  35           1HG      GLU  35   6.087  -7.450  -6.039
  248    HG3  GLU  35           2HG      GLU  35   6.881  -6.057  -5.293
  249    H    GLY  36           H        GLY  36   5.338 -10.640  -3.146
  250    HA2  GLY  36           1HA      GLY  36   7.074 -11.586  -0.916
  251    HA3  GLY  36           2HA      GLY  36   5.565 -12.289  -1.471
  252    H    ARG  37           H        ARG  37   6.609 -14.327  -1.401
  253    HA   ARG  37           HA       ARG  37   8.882 -15.157  -2.758
  254    HB2  ARG  37           1HB      ARG  37   7.601 -16.484  -1.095
  255    HB3  ARG  37           2HB      ARG  37   6.282 -16.655  -2.240
  256    HG2  ARG  37           1HG      ARG  37   7.272 -18.703  -2.403
  257    HG3  ARG  37           2HG      ARG  37   8.018 -17.896  -3.765
  258    HD2  ARG  37           1HD      ARG  37   9.227 -18.403  -1.015
  259    HD3  ARG  37           2HD      ARG  37   9.646 -19.240  -2.506
  260    HE   ARG  37           HE       ARG  37  10.630 -16.704  -1.532
  261   HH11  ARG  37          1HH1      ARG  37  10.201 -18.517  -4.562
  262   HH12  ARG  37          2HH1      ARG  37  11.354 -17.526  -5.406
  263   HH21  ARG  37          1HH2      ARG  37  11.945 -15.416  -2.680
  264   HH22  ARG  37          2HH2      ARG  37  12.378 -15.798  -4.341
  265    H    ASN  38           H        ASN  38   5.559 -15.139  -4.036
  266    HA   ASN  38           HA       ASN  38   6.566 -15.912  -6.740
  267    HB2  ASN  38           1HB      ASN  38   3.892 -16.395  -5.399
  268    HB3  ASN  38           2HB      ASN  38   4.286 -16.875  -7.047
  269   HD21  ASN  38          2HD2      ASN  38   3.836 -18.298  -4.200
  270   HD22  ASN  38          1HD2      ASN  38   5.083 -19.528  -4.264
  271    H    GLY  39           H        GLY  39   5.126 -13.180  -5.243
  272    HA2  GLY  39           1HA      GLY  39   5.208 -11.443  -7.367
  273    HA3  GLY  39           2HA      GLY  39   3.638 -12.203  -7.564
  274    H    TRP  40           H        TRP  40   2.824  -9.974  -7.239
  275    HA   TRP  40           HA       TRP  40   2.992  -8.621  -4.733
  276    HB2  TRP  40           1HB      TRP  40   0.907  -8.539  -6.945
  277    HB3  TRP  40           2HB      TRP  40   0.992  -7.414  -5.596
  278    HD1  TRP  40           HD       TRP  40   2.419  -8.036  -8.989
  279    HE1  TRP  40           1HE      TRP  40   4.137  -6.247  -9.596
  280    HE3  TRP  40           3HE      TRP  40   2.946  -5.848  -4.398
  281    HZ2  TRP  40           2HZ      TRP  40   5.428  -3.985  -8.294
  282    HZ3  TRP  40           3HZ      TRP  40   4.397  -3.869  -4.115
  283    HH2  TRP  40           HH       TRP  40   5.613  -2.900  -6.048
  284    H    TRP  41           H        TRP  41   2.077  -9.044  -2.842
  285    HA   TRP  41           HA       TRP  41  -0.529 -10.500  -2.705
  286    HB2  TRP  41           1HB      TRP  41   1.851 -10.840  -0.843
  287    HB3  TRP  41           2HB      TRP  41   0.267 -11.595  -0.645
  288    HD1  TRP  41           HD       TRP  41   3.517 -12.480  -1.774
  289    HE1  TRP  41           1HE      TRP  41   3.561 -14.365  -3.523
  290    HE3  TRP  41           3HE      TRP  41  -1.445 -12.558  -2.976
  291    HZ2  TRP  41           2HZ      TRP  41   1.717 -15.538  -5.412
  292    HZ3  TRP  41           3HZ      TRP  41  -2.277 -14.013  -4.764
  293    HH2  TRP  41           HH       TRP  41  -0.716 -15.521  -6.014
  294    H    GLN  42           H        GLN  42  -1.972  -9.821  -1.165
  295    HA   GLN  42           HA       GLN  42  -1.704  -7.000  -0.458
  296    HB2  GLN  42           1HB      GLN  42  -3.779  -8.209  -1.413
  297    HB3  GLN  42           2HB      GLN  42  -4.016  -8.854   0.214
  298    HG2  GLN  42           1HG      GLN  42  -4.062  -6.460   1.063
  299    HG3  GLN  42           2HG      GLN  42  -3.938  -5.916  -0.612
  300   HE21  GLN  42          2HE2      GLN  42  -5.818  -6.392  -2.091
  301   HE22  GLN  42          1HE2      GLN  42  -7.379  -6.702  -1.351
  302    H    TYR  43           H        TYR  43  -1.480  -6.106   1.568
  303    HA   TYR  43           HA       TYR  43  -0.598  -7.692   3.841
  304    HB2  TYR  43           1HB      TYR  43  -1.402  -4.797   3.450
  305    HB3  TYR  43           2HB      TYR  43  -0.960  -5.435   5.024
  306    HD1  TYR  43           2HD      TYR  43   1.360  -6.436   5.376
  307    HD2  TYR  43           1HD      TYR  43   0.282  -4.120   1.918
  308    HE1  TYR  43           2HE      TYR  43   3.756  -5.898   4.986
  309    HE2  TYR  43           1HE      TYR  43   2.665  -3.569   1.514
  310    HH   TYR  43           HH       TYR  43   4.793  -3.796   2.265
  311    H    ASP  44           H        ASP  44  -1.633  -7.804   5.921
  312    HA   ASP  44           HA       ASP  44  -4.505  -8.359   5.870
  313    HB2  ASP  44           1HB      ASP  44  -2.643  -9.491   7.268
  314    HB3  ASP  44           2HB      ASP  44  -2.803  -8.120   8.361
  315    H    GLU  45           H        GLU  45  -5.995  -7.319   7.356
  316    HA   GLU  45           HA       GLU  45  -6.041  -4.455   6.845
  317    HB2  GLU  45           1HB      GLU  45  -8.234  -4.489   7.936
  318    HB3  GLU  45           2HB      GLU  45  -8.085  -5.688   6.655
  319    HG2  GLU  45           1HG      GLU  45  -7.817  -7.489   8.298
  320    HG3  GLU  45           2HG      GLU  45  -7.796  -6.322   9.622
  321    H    ARG  46           H        ARG  46  -4.955  -6.341   9.547
  322    HA   ARG  46           HA       ARG  46  -5.001  -4.269  11.582
  323    HB2  ARG  46           1HB      ARG  46  -3.192  -6.705  11.230
  324    HB3  ARG  46           2HB      ARG  46  -3.127  -5.597  12.597
  325    HG2  ARG  46           1HG      ARG  46  -4.398  -7.316  13.399
  326    HG3  ARG  46           2HG      ARG  46  -5.597  -6.072  12.976
  327    HD2  ARG  46           1HD      ARG  46  -6.185  -7.295  10.944
  328    HD3  ARG  46           2HD      ARG  46  -4.837  -8.417  11.216
  329    HE   ARG  46           HE       ARG  46  -6.597  -8.493  13.455
  330   HH11  ARG  46          1HH1      ARG  46  -6.507  -9.505  10.059
  331   HH12  ARG  46          2HH1      ARG  46  -7.667 -10.783  10.315
  332   HH21  ARG  46          1HH2      ARG  46  -8.078 -10.174  13.718
  333   HH22  ARG  46          2HH2      ARG  46  -8.538 -11.157  12.361
  334    H    THR  47           H        THR  47  -2.847  -5.232   9.082
  335    HA   THR  47           HA       THR  47  -0.638  -3.427   9.792
  336    HB   THR  47           HB       THR  47  -0.915  -5.505   7.580
  337    HG1  THR  47           1HG      THR  47   0.341  -6.699   9.113
  338   HG21  THR  47          3HG2      THR  47   1.617  -5.435   7.708
  339   HG22  THR  47          1HG2      THR  47   0.869  -3.993   6.991
  340   HG23  THR  47          2HG2      THR  47   1.451  -3.934   8.664
  341    H    SER  48           H        SER  48  -2.750  -3.833   6.867
  342    HA   SER  48           HA       SER  48  -1.441  -1.777   5.394
  343    HB2  SER  48           1HB      SER  48  -3.342  -1.859   3.903
  344    HB3  SER  48           2HB      SER  48  -2.845  -3.493   4.367
  345    HG   SER  48           HG       SER  48  -5.136  -3.236   4.472
  346    H    ARG  49           H        ARG  49  -4.000  -1.519   7.819
  347    HA   ARG  49           HA       ARG  49  -4.699   1.184   7.244
  348    HB2  ARG  49           1HB      ARG  49  -5.857   1.234   9.260
  349    HB3  ARG  49           2HB      ARG  49  -5.991  -0.400   8.654
  350    HG2  ARG  49           1HG      ARG  49  -5.610  -0.770  10.894
  351    HG3  ARG  49           2HG      ARG  49  -4.021  -0.991  10.197
  352    HD2  ARG  49           1HD      ARG  49  -4.078   0.241  12.400
  353    HD3  ARG  49           2HD      ARG  49  -3.233   1.067  11.116
  354    HE   ARG  49           HE       ARG  49  -6.062   1.802  11.552
  355   HH11  ARG  49          1HH1      ARG  49  -2.685   2.742  12.222
  356   HH12  ARG  49          2HH1      ARG  49  -3.101   4.453  12.167
  357   HH21  ARG  49          1HH2      ARG  49  -6.475   4.028  11.679
  358   HH22  ARG  49          2HH2      ARG  49  -5.158   5.121  12.018
  359    H    GLU  50           H        GLU  50  -1.856  -0.158   8.881
  360    HA   GLU  50           HA       GLU  50  -1.138   2.339  10.221
  361    HB2  GLU  50           1HB      GLU  50   0.620  -0.025   9.440
  362    HB3  GLU  50           2HB      GLU  50   1.081   1.276  10.524
  363    HG2  GLU  50           1HG      GLU  50  -1.270  -0.581  11.106
  364    HG3  GLU  50           2HG      GLU  50   0.384  -0.934  11.579
  365    H    LEU  51           H        LEU  51  -0.439   0.803   7.134
  366    HA   LEU  51           HA       LEU  51   1.485   2.713   6.148
  367    HB2  LEU  51           1HB      LEU  51  -0.296   0.817   4.569
  368    HB3  LEU  51           2HB      LEU  51   1.269   1.471   4.098
  369    HG   LEU  51           HG       LEU  51   0.811  -0.540   6.347
  370   HD11  LEU  51          1HD1      LEU  51   0.343  -1.470   4.124
  371   HD12  LEU  51          2HD1      LEU  51   1.961  -0.977   3.572
  372   HD13  LEU  51          3HD1      LEU  51   1.780  -2.187   4.865
  373   HD21  LEU  51          3HD2      LEU  51   3.274  -0.793   6.281
  374   HD22  LEU  51          1HD2      LEU  51   3.370   0.556   5.124
  375   HD23  LEU  51          2HD2      LEU  51   2.788   0.827   6.783
  376    H    GLU  52           H        GLU  52  -2.016   2.222   5.582
  377    HA   GLU  52           HA       GLU  52  -2.480   4.443   3.888
  378    HB2  GLU  52           1HB      GLU  52  -4.039   2.597   4.241
  379    HB3  GLU  52           2HB      GLU  52  -4.324   3.086   5.901
  380    HG2  GLU  52           1HG      GLU  52  -4.900   4.923   3.537
  381    HG3  GLU  52           2HG      GLU  52  -6.040   3.700   4.055
  382    H    ASP  53           H        ASP  53  -2.384   4.297   7.478
  383    HA   ASP  53           HA       ASP  53  -3.542   6.907   7.828
  384    HB2  ASP  53           1HB      ASP  53  -3.522   4.950   9.427
  385    HB3  ASP  53           2HB      ASP  53  -1.828   5.263   9.749
  386    H    ALA  54           H        ALA  54  -0.312   5.603   7.680
  387    HA   ALA  54           HA       ALA  54   1.221   7.791   8.610
  388    HB1  ALA  54           1HB      ALA  54   2.079   5.578   8.526
  389    HB2  ALA  54           2HB      ALA  54   1.814   5.448   6.781
  390    HB3  ALA  54           3HB      ALA  54   3.079   6.543   7.407
  391    H    PHE  55           H        PHE  55   0.521   7.000   5.126
  392    HA   PHE  55           HA       PHE  55   1.846   9.421   4.245
  393    HB2  PHE  55           1HB      PHE  55   1.458   8.753   2.132
  394    HB3  PHE  55           2HB      PHE  55   1.282   7.198   2.911
  395    HD1  PHE  55           2HD      PHE  55  -0.995   6.195   3.206
  396    HD2  PHE  55           1HD      PHE  55  -0.392   9.870   1.053
  397    HE1  PHE  55           2HE      PHE  55  -3.216   5.924   2.118
  398    HE2  PHE  55           1HE      PHE  55  -2.616   9.614  -0.019
  399    HZ   PHE  55           HZ       PHE  55  -4.032   7.636   0.511
  400    H    SER  56           H        SER  56  -1.214   8.808   5.565
  401    HA   SER  56           HA       SER  56  -2.522  11.273   4.604
  402    HB2  SER  56           1HB      SER  56  -3.625   8.999   5.156
  403    HB3  SER  56           2HB      SER  56  -3.475   9.476   6.847
  404    HG   SER  56           HG       SER  56  -5.509  10.092   5.889
  405    H    LYS  57           H        LYS  57  -0.753  10.201   7.503
  406    HA   LYS  57           HA       LYS  57  -1.294  12.559   9.133
  407    HB2  LYS  57           1HB      LYS  57   0.725  10.290   9.184
  408    HB3  LYS  57           2HB      LYS  57   0.805  11.619  10.338
  409    HG2  LYS  57           1HG      LYS  57  -1.147  11.015  11.446
  410    HG3  LYS  57           2HG      LYS  57  -1.807  10.135  10.067
  411    HD2  LYS  57           1HD      LYS  57  -1.081   8.572  11.841
  412    HD3  LYS  57           2HD      LYS  57  -0.219   8.340  10.334
  413    HE2  LYS  57           1HE      LYS  57   1.536   8.182  11.795
  414    HE3  LYS  57           2HE      LYS  57   1.631   9.884  11.367
  415    HZ1  LYS  57           3HZ      LYS  57   1.756   9.613  13.773
  416    HZ2  LYS  57           1HZ      LYS  57   0.384  10.416  13.405
  417    HZ3  LYS  57           2HZ      LYS  57   0.320   8.836  13.820
  418    H    GLY  58           H        GLY  58   1.397  11.511   7.026
  419    HA2  GLY  58           1HA      GLY  58   2.397  13.357   5.635
  420    HA3  GLY  58           2HA      GLY  58   2.592  14.263   7.154
  421    H    LYS  59           H        LYS  59   3.226  11.136   8.099
  422    HA   LYS  59           HA       LYS  59   6.080  11.557   8.030
  423    HB2  LYS  59           1HB      LYS  59   6.182   9.175   8.883
  424    HB3  LYS  59           2HB      LYS  59   5.363  10.343   9.898
  425    HG2  LYS  59           1HG      LYS  59   3.208   9.508   9.396
  426    HG3  LYS  59           2HG      LYS  59   3.811   8.619   7.988
  427    HD2  LYS  59           1HD      LYS  59   3.294   7.149   9.913
  428    HD3  LYS  59           2HD      LYS  59   4.952   7.031   9.368
  429    HE2  LYS  59           1HE      LYS  59   5.682   8.500  11.247
  430    HE3  LYS  59           2HE      LYS  59   4.013   8.579  11.818
  431    HZ1  LYS  59           3HZ      LYS  59   5.249   6.868  12.998
  432    HZ2  LYS  59           1HZ      LYS  59   4.103   6.127  12.092
  433    HZ3  LYS  59           2HZ      LYS  59   5.659   6.114  11.609
  434    H    LYS  60           H        LYS  60   7.625  10.321   7.064
  435    HA   LYS  60           HA       LYS  60   6.978   9.629   4.243
  436    HB2  LYS  60           1HB      LYS  60   9.130  10.365   3.706
  437    HB3  LYS  60           2HB      LYS  60   8.522  11.509   4.884
  438    HG2  LYS  60           1HG      LYS  60   9.864  10.196   6.642
  439    HG3  LYS  60           2HG      LYS  60  10.587   9.319   5.288
  440    HD2  LYS  60           1HD      LYS  60  12.108  11.048   5.872
  441    HD3  LYS  60           2HD      LYS  60  11.352  11.543   4.349
  442    HE2  LYS  60           1HE      LYS  60   9.796  13.029   5.617
  443    HE3  LYS  60           2HE      LYS  60  10.516  12.490   7.137
  444    HZ1  LYS  60           3HZ      LYS  60  11.449  14.585   6.463
  445    HZ2  LYS  60           1HZ      LYS  60  12.628  13.455   6.384
  446    HZ3  LYS  60           2HZ      LYS  60  11.925  13.997   5.008
  447    H    ASN  61           H        ASN  61   7.334   7.938   7.018
  448    HA   ASN  61           HA       ASN  61   7.576   5.428   5.761
  449    HB2  ASN  61           1HB      ASN  61   9.629   4.549   6.684
  450    HB3  ASN  61           2HB      ASN  61  10.007   5.913   5.648
  451   HD21  ASN  61          2HD2      ASN  61  10.302   8.012   6.753
  452   HD22  ASN  61          1HD2      ASN  61  11.094   8.040   8.323
  453    H    THR  62           H        THR  62   6.991   3.791   7.131
  454    HA   THR  62           HA       THR  62   6.558   4.358  10.033
  455    HB   THR  62           HB       THR  62   4.514   4.969   8.694
  456    HG1  THR  62           1HG      THR  62   3.228   3.892  10.322
  457   HG21  THR  62          3HG2      THR  62   2.987   3.157   8.080
  458   HG22  THR  62          1HG2      THR  62   4.488   2.982   7.160
  459   HG23  THR  62          2HG2      THR  62   4.171   1.925   8.553
  460    H    GLU  63           H        GLU  63   5.487   2.207  11.023
  461    HA   GLU  63           HA       GLU  63   7.389  -0.007  10.343
  462    HB2  GLU  63           1HB      GLU  63   6.631   1.238  13.013
  463    HB3  GLU  63           2HB      GLU  63   7.383  -0.356  12.876
  464    HG2  GLU  63           1HG      GLU  63   9.297   0.571  11.708
  465    HG3  GLU  63           2HG      GLU  63   8.603   2.189  11.732
  466    H    MET  64           H        MET  64   6.765  -2.090  10.703
  467    HA   MET  64           HA       MET  64   4.051  -2.792  11.611
  468    HB2  MET  64           1HB      MET  64   3.622  -3.973   9.415
  469    HB3  MET  64           2HB      MET  64   3.512  -2.213   9.366
  470    HG2  MET  64           1HG      MET  64   5.717  -2.041   8.350
  471    HG3  MET  64           2HG      MET  64   5.999  -3.772   8.573
  472    HE1  MET  64           3HE      MET  64   6.083  -3.484   4.825
  473    HE2  MET  64           1HE      MET  64   6.945  -2.986   6.293
  474    HE3  MET  64           2HE      MET  64   6.459  -4.691   6.074
  475    H    LEU  65           H        LEU  65   3.731  -4.952  11.999
  476    HA   LEU  65           HA       LEU  65   6.140  -6.670  12.197
  477    HB2  LEU  65           1HB      LEU  65   4.274  -5.898  14.134
  478    HB3  LEU  65           2HB      LEU  65   3.619  -7.426  13.611
  479    HG   LEU  65           HG       LEU  65   4.982  -7.686  15.564
  480   HD11  LEU  65          1HD1      LEU  65   5.042  -9.564  13.966
  481   HD12  LEU  65          2HD1      LEU  65   6.548  -8.910  13.277
  482   HD13  LEU  65          3HD1      LEU  65   6.505  -9.450  14.959
  483   HD21  LEU  65          3HD2      LEU  65   7.331  -7.122  15.692
  484   HD22  LEU  65          1HD2      LEU  65   7.352  -6.625  13.987
  485   HD23  LEU  65          2HD2      LEU  65   6.406  -5.695  15.167
  486    H    ILE  66           H        ILE  66   6.118  -8.692  11.433
  487    HA   ILE  66           HA       ILE  66   3.809  -9.608   9.717
  488    HB   ILE  66           HB       ILE  66   5.268 -10.380   8.034
  489   HG12  ILE  66          1HG1      ILE  66   7.760  -9.055   8.783
  490   HG13  ILE  66          2HG1      ILE  66   7.343 -10.216  10.012
  491   HG21  ILE  66          1HG2      ILE  66   4.392  -8.058   7.979
  492   HG22  ILE  66          2HG2      ILE  66   5.938  -7.478   8.629
  493   HG23  ILE  66          3HG2      ILE  66   5.876  -8.303   7.055
  494   HD11  ILE  66          3HD1      ILE  66   8.772 -11.063   8.059
  495   HD12  ILE  66          1HD1      ILE  66   7.393 -12.058   8.531
  496   HD13  ILE  66          2HD1      ILE  66   7.289 -11.033   7.093
  497    H    ALA  67           H        ALA  67   5.233 -12.066   8.959
  498    HA   ALA  67           HA       ALA  67   4.270 -13.862  10.871
  499    HB1  ALA  67           1HB      ALA  67   4.746 -14.325   8.454
  500    HB2  ALA  67           2HB      ALA  67   6.493 -14.225   8.798
  501    HB3  ALA  67           3HB      ALA  67   5.518 -15.517   9.520
  502    H    GLY  68           H        GLY  68   7.282 -12.131  11.047
  503    HA2  GLY  68           1HA      GLY  68   7.892 -13.100  13.658
  504    HA3  GLY  68           2HA      GLY  68   8.892 -13.961  12.509
  505    H    PHE  69           H        PHE  69   8.145 -10.601  11.750
  506    HA   PHE  69           HA       PHE  69  10.777  -9.634  12.683
  507    HB2  PHE  69           1HB      PHE  69   9.999  -9.848   9.741
  508    HB3  PHE  69           2HB      PHE  69  11.370  -8.951  10.345
  509    HD1  PHE  69           1HD      PHE  69  13.269 -10.162  11.510
  510    HD2  PHE  69           2HD      PHE  69  10.173 -12.246   9.336
  511    HE1  PHE  69           1HE      PHE  69  14.761 -12.133  11.262
  512    HE2  PHE  69           2HE      PHE  69  11.669 -14.203   9.090
  513    HZ   PHE  69           HZ       PHE  69  13.966 -14.152  10.046
  514    H    LEU  70           H        LEU  70  11.037  -7.410  12.601
  515    HA   LEU  70           HA       LEU  70   8.620  -5.737  12.143
  516    HB2  LEU  70           1HB      LEU  70  10.121  -5.569  14.258
  517    HB3  LEU  70           2HB      LEU  70  11.341  -4.898  13.189
  518    HG   LEU  70           HG       LEU  70  10.317  -3.124  14.359
  519   HD11  LEU  70          1HD1      LEU  70  10.705  -2.714  11.867
  520   HD12  LEU  70          2HD1      LEU  70   8.937  -2.861  11.689
  521   HD13  LEU  70          3HD1      LEU  70   9.619  -1.604  12.713
  522   HD21  LEU  70          3HD2      LEU  70   7.883  -2.612  14.247
  523   HD22  LEU  70          1HD2      LEU  70   7.612  -4.155  13.407
  524   HD23  LEU  70          2HD2      LEU  70   8.240  -4.143  15.068
  525    H    TYR  71           H        TYR  71   8.413  -4.762  10.288
  526    HA   TYR  71           HA       TYR  71  10.796  -4.163   8.580
  527    HB2  TYR  71           1HB      TYR  71   7.982  -4.835   7.745
  528    HB3  TYR  71           2HB      TYR  71   9.208  -4.200   6.652
  529    HD1  TYR  71           1HD      TYR  71  11.642  -5.820   7.482
  530    HD2  TYR  71           2HD      TYR  71   7.541  -6.924   6.766
  531    HE1  TYR  71           1HE      TYR  71  12.345  -8.134   6.917
  532    HE2  TYR  71           2HE      TYR  71   8.230  -9.218   6.292
  533    HH   TYR  71           HH       TYR  71  11.682 -10.235   6.307
  534    H    VAL  72           H        VAL  72  11.136  -2.197   7.985
  535    HA   VAL  72           HA       VAL  72   9.363   0.028   8.817
  536    HB   VAL  72           HB       VAL  72  12.100   0.143   7.498
  537   HG11  VAL  72          1HG1      VAL  72  10.745   2.202   7.191
  538   HG12  VAL  72          2HG1      VAL  72  10.468   2.281   8.947
  539   HG13  VAL  72          3HG1      VAL  72  12.103   2.491   8.289
  540   HG21  VAL  72          3HG2      VAL  72  12.978   0.746   9.739
  541   HG22  VAL  72          1HG2      VAL  72  11.398   0.351  10.450
  542   HG23  VAL  72          2HG2      VAL  72  12.378  -0.912   9.670
  543    H    ALA  73           H        ALA  73   7.878   0.634   7.360
  544    HA   ALA  73           HA       ALA  73   8.131  -0.029   4.464
  545    HB1  ALA  73           1HB      ALA  73   6.017  -0.634   5.567
  546    HB2  ALA  73           2HB      ALA  73   5.810   1.041   6.125
  547    HB3  ALA  73           3HB      ALA  73   5.762   0.670   4.388
  548    H    ASP  74           H        ASP  74   9.182   1.430   3.308
  549    HA   ASP  74           HA       ASP  74   9.405   4.259   4.126
  550    HB2  ASP  74           1HB      ASP  74  11.436   3.049   3.475
  551    HB3  ASP  74           2HB      ASP  74  10.724   2.670   1.907
  552    H    LEU  75           H        LEU  75   7.837   5.539   3.542
  553    HA   LEU  75           HA       LEU  75   6.048   4.963   1.292
  554    HB2  LEU  75           1HB      LEU  75   6.127   7.051   3.498
  555    HB3  LEU  75           2HB      LEU  75   5.040   7.197   2.139
  556    HG   LEU  75           HG       LEU  75   3.870   5.190   2.702
  557   HD11  LEU  75          1HD1      LEU  75   5.560   3.732   3.687
  558   HD12  LEU  75          2HD1      LEU  75   5.630   4.794   5.121
  559   HD13  LEU  75          3HD1      LEU  75   4.147   3.910   4.727
  560   HD21  LEU  75          3HD2      LEU  75   2.761   6.012   4.676
  561   HD22  LEU  75          1HD2      LEU  75   4.234   6.843   5.235
  562   HD23  LEU  75          2HD2      LEU  75   3.370   7.428   3.811
  563    H    GLU  76           H        GLU  76   8.928   6.873   1.766
  564    HA   GLU  76           HA       GLU  76   8.557   8.863  -0.245
  565    HB2  GLU  76           1HB      GLU  76  11.127   7.477   0.646
  566    HB3  GLU  76           2HB      GLU  76  11.025   8.886  -0.397
  567    HG2  GLU  76           1HG      GLU  76   9.742   9.967   1.571
  568    HG3  GLU  76           2HG      GLU  76  10.367   8.638   2.545
  569    H    ASN  77           H        ASN  77  10.186   5.679  -0.484
  570    HA   ASN  77           HA       ASN  77  10.270   5.891  -3.448
  571    HB2  ASN  77           1HB      ASN  77  11.723   4.057  -1.502
  572    HB3  ASN  77           2HB      ASN  77  11.982   4.128  -3.239
  573   HD21  ASN  77          2HD2      ASN  77  12.299   6.047  -0.204
  574   HD22  ASN  77          1HD2      ASN  77  13.595   7.062  -0.840
  575    H    MET  78           H        MET  78   8.267   4.564  -1.178
  576    HA   MET  78           HA       MET  78   6.791   2.823  -0.986
  577    HB2  MET  78           1HB      MET  78   6.895   2.758  -4.016
  578    HB3  MET  78           2HB      MET  78   5.716   1.918  -3.010
  579    HG2  MET  78           1HG      MET  78   5.931   4.887  -2.638
  580    HG3  MET  78           2HG      MET  78   5.272   4.285  -4.152
  581    HE1  MET  78           3HE      MET  78   3.232   4.246  -0.087
  582    HE2  MET  78           1HE      MET  78   4.816   3.459  -0.219
  583    HE3  MET  78           2HE      MET  78   4.636   5.193  -0.600
  584    H    VAL  79           H        VAL  79   8.940   1.983  -0.090
  585    HA   VAL  79           HA       VAL  79   9.204  -0.816  -1.065
  586    HB   VAL  79           HB       VAL  79  11.629  -0.923  -0.601
  587   HG11  VAL  79          1HG1      VAL  79  10.872  -0.631  -2.914
  588   HG12  VAL  79          2HG1      VAL  79  10.978   1.139  -2.736
  589   HG13  VAL  79          3HG1      VAL  79  12.438   0.136  -2.622
  590   HG21  VAL  79          3HG2      VAL  79  12.986   1.128  -0.446
  591   HG22  VAL  79          1HG2      VAL  79  11.508   2.094  -0.296
  592   HG23  VAL  79          2HG2      VAL  79  11.937   0.896   0.950
  593    H    GLN  80           H        GLN  80  10.410  -2.157   0.710
  594    HA   GLN  80           HA       GLN  80  10.170  -1.034   3.410
  595    HB2  GLN  80           1HB      GLN  80   8.861  -2.884   4.286
  596    HB3  GLN  80           2HB      GLN  80   7.983  -2.073   3.001
  597    HG2  GLN  80           1HG      GLN  80   7.570  -4.271   2.480
  598    HG3  GLN  80           2HG      GLN  80   8.945  -3.970   1.436
  599   HE21  GLN  80          2HE2      GLN  80   7.914  -5.452   4.536
  600   HE22  GLN  80          1HE2      GLN  80   9.234  -6.610   4.558
  601    H    TYR  81           H        TYR  81  11.306  -2.279   5.028
  602    HA   TYR  81           HA       TYR  81  13.209  -4.357   4.322
  603    HB2  TYR  81           1HB      TYR  81  15.209  -2.845   4.795
  604    HB3  TYR  81           2HB      TYR  81  14.452  -2.719   3.238
  605    HD1  TYR  81           2HD      TYR  81  14.450  -1.025   6.615
  606    HD2  TYR  81           1HD      TYR  81  13.818  -0.645   2.368
  607    HE1  TYR  81           2HE      TYR  81  14.351   1.432   6.858
  608    HE2  TYR  81           1HE      TYR  81  13.782   1.809   2.576
  609    HH   TYR  81           HH       TYR  81  14.148   3.459   5.765
  610    H    ARG  82           H        ARG  82  14.752  -4.808   6.183
  611    HA   ARG  82           HA       ARG  82  13.378  -4.656   8.769
  612    HB2  ARG  82           1HB      ARG  82  16.148  -5.670   7.986
  613    HB3  ARG  82           2HB      ARG  82  15.485  -5.729   9.626
  614    HG2  ARG  82           1HG      ARG  82  13.559  -7.072   8.791
  615    HG3  ARG  82           2HG      ARG  82  14.336  -7.124   7.189
  616    HD2  ARG  82           1HD      ARG  82  16.288  -8.288   8.166
  617    HD3  ARG  82           2HD      ARG  82  15.582  -8.149   9.777
  618    HE   ARG  82           HE       ARG  82  14.175  -9.917   9.352
  619   HH11  ARG  82          1HH1      ARG  82  15.553  -9.006   6.179
  620   HH12  ARG  82          2HH1      ARG  82  14.843 -10.456   5.459
  621   HH21  ARG  82          1HH2      ARG  82  13.371 -11.721   8.202
  622   HH22  ARG  82          2HH2      ARG  82  13.755 -11.817   6.475
  623    H    ARG  83           H        ARG  83  14.125  -3.595  10.669
  624    HA   ARG  83           HA       ARG  83  15.264  -0.982  10.446
  625    HB2  ARG  83           1HB      ARG  83  15.013  -2.882  12.810
  626    HB3  ARG  83           2HB      ARG  83  15.661  -1.244  12.940
  627    HG2  ARG  83           1HG      ARG  83  13.540  -0.298  12.073
  628    HG3  ARG  83           2HG      ARG  83  12.871  -1.932  11.937
  629    HD2  ARG  83           1HD      ARG  83  12.060  -0.878  13.979
  630    HD3  ARG  83           2HD      ARG  83  13.048  -2.281  14.348
  631    HE   ARG  83           HE       ARG  83  14.838  -0.874  15.078
  632   HH11  ARG  83          1HH1      ARG  83  11.821   0.991  14.639
  633   HH12  ARG  83          2HH1      ARG  83  12.493   2.357  15.477
  634   HH21  ARG  83          1HH2      ARG  83  15.566   0.916  16.164
  635   HH22  ARG  83          2HH2      ARG  83  14.540   2.302  16.355
  636    H    ASN  84           H        ASN  84  16.865  -4.097  10.645
  637    HA   ASN  84           HA       ASN  84  19.401  -3.282  11.594
  638    HB2  ASN  84           1HB      ASN  84  18.703  -5.581   9.717
  639    HB3  ASN  84           2HB      ASN  84  20.182  -5.426  10.660
  640   HD21  ASN  84          2HD2      ASN  84  20.136  -5.944  12.921
  641   HD22  ASN  84          1HD2      ASN  84  18.705  -6.632  13.666
  642    H    GLU  85           H        GLU  85  18.101  -3.180   8.262
  643    HA   GLU  85           HA       GLU  85  20.109  -1.376   7.350
  644    HB2  GLU  85           1HB      GLU  85  21.124  -2.780   5.586
  645    HB3  GLU  85           2HB      GLU  85  21.619  -3.240   7.203
  646    HG2  GLU  85           1HG      GLU  85  20.151  -5.196   7.170
  647    HG3  GLU  85           2HG      GLU  85  19.458  -4.706   5.622
  648    H    HIS  86           H        HIS  86  19.489  -0.304   5.537
  649    HA   HIS  86           HA       HIS  86  16.925  -0.855   4.262
  650    HB2  HIS  86           1HB      HIS  86  17.465   1.166   3.015
  651    HB3  HIS  86           2HB      HIS  86  17.730   1.406   4.744
  652    HD2  HIS  86           2HD      HIS  86  19.554   1.341   1.397
  653    HE1  HIS  86           1HE      HIS  86  22.538   2.192   4.310
  654    HE2  HIS  86           2HE      HIS  86  22.052   2.066   1.812
  655    H    GLY  87           H        GLY  87  20.044  -1.973   3.800
  656    HA2  GLY  87           1HA      GLY  87  20.554  -2.166   1.065
  657    HA3  GLY  87           2HA      GLY  87  21.108  -3.352   2.258
  658    H    ARG  88           H        ARG  88  19.228  -4.970   2.948
  659    HA   ARG  88           HA       ARG  88  17.946  -6.043   0.545
  660    HB2  ARG  88           1HB      ARG  88  18.915  -7.429   2.432
  661    HB3  ARG  88           2HB      ARG  88  17.518  -6.994   3.407
  662    HG2  ARG  88           1HG      ARG  88  17.426  -8.348   0.671
  663    HG3  ARG  88           2HG      ARG  88  17.410  -9.213   2.203
  664    HD2  ARG  88           1HD      ARG  88  15.246  -8.232   2.807
  665    HD3  ARG  88           2HD      ARG  88  15.212  -7.284   1.323
  666    HE   ARG  88           HE       ARG  88  14.496 -10.061   1.631
  667   HH11  ARG  88          1HH1      ARG  88  15.495  -7.663  -0.811
  668   HH12  ARG  88          2HH1      ARG  88  14.948  -8.672  -2.109
  669   HH21  ARG  88          1HH2      ARG  88  14.078 -11.370  -0.104
  670   HH22  ARG  88          2HH2      ARG  88  14.075 -10.700  -1.712
  671    H    ARG  89           H        ARG  89  16.570  -4.501  -0.180
  672    HA   ARG  89           HA       ARG  89  14.110  -4.049   1.429
  673    HB2  ARG  89           1HB      ARG  89  13.734  -1.967   0.164
  674    HB3  ARG  89           2HB      ARG  89  15.168  -1.942   1.172
  675    HG2  ARG  89           1HG      ARG  89  16.568  -2.419  -0.860
  676    HG3  ARG  89           2HG      ARG  89  15.099  -2.251  -1.850
  677    HD2  ARG  89           1HD      ARG  89  14.825   0.051  -1.110
  678    HD3  ARG  89           2HD      ARG  89  16.150  -0.106   0.044
  679    HE   ARG  89           HE       ARG  89  16.330   0.352  -2.832
  680   HH11  ARG  89          1HH2      ARG  89  18.187  -0.871  -0.062
  681   HH12  ARG  89          2HH2      ARG  89  19.708  -0.551  -0.853
  682   HH21  ARG  89          1HH1      ARG  89  18.323   0.732  -3.761
  683   HH22  ARG  89          2HH1      ARG  89  19.782   0.350  -2.901
  684    H    ARG  90           H        ARG  90  12.144  -3.953   0.342
  685    HA   ARG  90           HA       ARG  90  11.936  -5.467  -2.239
  686    HB2  ARG  90           1HB      ARG  90  10.185  -5.910   0.209
  687    HB3  ARG  90           2HB      ARG  90  10.147  -6.803  -1.305
  688    HG2  ARG  90           1HG      ARG  90  12.380  -7.753  -0.837
  689    HG3  ARG  90           2HG      ARG  90  12.495  -6.805   0.654
  690    HD2  ARG  90           1HD      ARG  90  11.903  -8.967   1.321
  691    HD3  ARG  90           2HD      ARG  90  10.465  -7.973   1.529
  692    HE   ARG  90           HE       ARG  90   9.685  -8.924  -0.706
  693   HH11  ARG  90          1HH1      ARG  90  11.843 -10.958   1.393
  694   HH12  ARG  90          2HH1      ARG  90  11.084 -12.375   0.691
  695   HH21  ARG  90          1HH2      ARG  90   9.016 -10.864  -1.485
  696   HH22  ARG  90          2HH2      ARG  90   9.684 -12.363  -0.773
  697    H    LYS  91           H        LYS  91  10.264  -4.790  -3.573
  698    HA   LYS  91           HA       LYS  91   9.217  -2.146  -3.168
  699    HB2  LYS  91           1HB      LYS  91   9.108  -4.290  -5.247
  700    HB3  LYS  91           2HB      LYS  91   7.757  -3.191  -5.268
  701    HG2  LYS  91           1HG      LYS  91  10.666  -2.289  -5.340
  702    HG3  LYS  91           2HG      LYS  91   9.698  -2.584  -6.785
  703    HD2  LYS  91           1HD      LYS  91   8.981  -0.556  -4.637
  704    HD3  LYS  91           2HD      LYS  91   9.843  -0.161  -6.115
  705    HE2  LYS  91           1HE      LYS  91   7.998  -0.497  -7.489
  706    HE3  LYS  91           2HE      LYS  91   7.201  -1.595  -6.368
  707    HZ1  LYS  91           3HZ      LYS  91   6.166   0.630  -6.476
  708    HZ2  LYS  91           1HZ      LYS  91   6.602   0.215  -4.961
  709    HZ3  LYS  91           2HZ      LYS  91   7.515   1.293  -5.818
  710    H    ILE  92           H        ILE  92   7.280  -1.338  -2.667
  711    HA   ILE  92           HA       ILE  92   4.976  -3.160  -2.170
  712    HB   ILE  92           HB       ILE  92   4.200  -1.819  -0.321
  713   HG12  ILE  92          1HG1      ILE  92   6.813  -0.317  -0.457
  714   HG13  ILE  92          2HG1      ILE  92   5.260   0.308  -1.032
  715   HG21  ILE  92          1HG2      ILE  92   5.671  -3.774   0.130
  716   HG22  ILE  92          2HG2      ILE  92   7.071  -2.683   0.213
  717   HG23  ILE  92          3HG2      ILE  92   5.747  -2.526   1.384
  718   HD11  ILE  92          3HD1      ILE  92   5.672   1.271   1.105
  719   HD12  ILE  92          1HD1      ILE  92   4.402   0.045   1.340
  720   HD13  ILE  92          2HD1      ILE  92   6.081  -0.293   1.828
  721    H    LYS  93           H        LYS  93   2.884  -1.885  -2.221
  722    HA   LYS  93           HA       LYS  93   2.891   0.644  -3.656
  723    HB2  LYS  93           1HB      LYS  93   1.651  -0.027  -5.600
  724    HB3  LYS  93           2HB      LYS  93   3.128  -0.978  -5.547
  725    HG2  LYS  93           1HG      LYS  93   1.945  -2.949  -4.826
  726    HG3  LYS  93           2HG      LYS  93   0.466  -2.035  -4.494
  727    HD2  LYS  93           1HD      LYS  93   0.185  -1.514  -6.862
  728    HD3  LYS  93           2HD      LYS  93   1.646  -2.448  -7.263
  729    HE2  LYS  93           1HE      LYS  93   0.652  -4.509  -6.550
  730    HE3  LYS  93           2HE      LYS  93  -0.660  -3.679  -5.699
  731    HZ1  LYS  93           3HZ      LYS  93  -1.361  -4.620  -7.845
  732    HZ2  LYS  93           1HZ      LYS  93  -1.614  -3.011  -7.765
  733    HZ3  LYS  93           2HZ      LYS  93  -0.353  -3.607  -8.643
  734    H    ARG  94           H        ARG  94   0.739   1.484  -4.036
  735    HA   ARG  94           HA       ARG  94  -1.368   0.662  -2.066
  736    HB2  ARG  94           1HB      ARG  94  -0.664   3.274  -3.460
  737    HB3  ARG  94           2HB      ARG  94  -2.254   3.003  -2.738
  738    HG2  ARG  94           1HG      ARG  94  -1.430   2.878  -0.556
  739    HG3  ARG  94           2HG      ARG  94   0.229   2.535  -1.072
  740    HD2  ARG  94           1HD      ARG  94  -0.025   4.830  -0.169
  741    HD3  ARG  94           2HD      ARG  94   0.571   4.774  -1.834
  742    HE   ARG  94           HE       ARG  94  -2.325   5.084  -1.662
  743   HH11  ARG  94          1HH1      ARG  94   0.674   6.942  -1.484
  744   HH12  ARG  94          2HH1      ARG  94  -0.094   8.396  -2.061
  745   HH21  ARG  94          1HH2      ARG  94  -3.188   6.968  -2.599
  746   HH22  ARG  94          2HH2      ARG  94  -2.130   8.324  -2.914
  747    H    ASP  95           H        ASP  95  -3.452   0.308  -2.839
  748    HA   ASP  95           HA       ASP  95  -4.126   0.736  -5.663
  749    HB2  ASP  95           1HB      ASP  95  -3.104  -1.789  -4.940
  750    HB3  ASP  95           2HB      ASP  95  -4.858  -2.000  -4.889
  751    H    ILE  96           H        ILE  96  -6.416  -0.303  -6.035
  752    HA   ILE  96           HA       ILE  96  -8.251   0.361  -3.765
  753    HB   ILE  96           HB       ILE  96  -8.529   1.240  -6.651
  754   HG12  ILE  96          1HG1      ILE  96  -6.812   2.581  -5.479
  755   HG13  ILE  96          2HG1      ILE  96  -8.216   3.525  -5.941
  756   HG21  ILE  96          1HG2      ILE  96 -10.749   0.885  -5.739
  757   HG22  ILE  96          2HG2      ILE  96 -10.330   1.683  -4.204
  758   HG23  ILE  96          3HG2      ILE  96 -10.486   2.625  -5.696
  759   HD11  ILE  96          3HD1      ILE  96  -7.258   3.927  -3.588
  760   HD12  ILE  96          1HD1      ILE  96  -9.014   3.674  -3.716
  761   HD13  ILE  96          2HD1      ILE  96  -7.979   2.353  -3.164
  762    H    ILE  97           H        ILE  97  -9.960  -0.903  -3.599
  763    HA   ILE  97           HA       ILE  97 -10.191  -3.323  -5.331
  764    HB   ILE  97           HB       ILE  97 -11.630  -2.622  -2.769
  765   HG12  ILE  97          1HG1      ILE  97 -10.254  -4.760  -2.056
  766   HG13  ILE  97          2HG1      ILE  97  -9.156  -4.254  -3.335
  767   HG21  ILE  97          1HG2      ILE  97 -13.041  -4.004  -4.105
  768   HG22  ILE  97          2HG2      ILE  97 -11.706  -5.135  -4.455
  769   HG23  ILE  97          3HG2      ILE  97 -12.370  -4.988  -2.807
  770   HD11  ILE  97          3HD1      ILE  97  -8.825  -3.453  -0.860
  771   HD12  ILE  97          1HD1      ILE  97  -8.558  -2.286  -2.174
  772   HD13  ILE  97          2HD1      ILE  97 -10.067  -2.263  -1.222
  773    H    ASP  98           H        ASP  98 -11.953  -3.794  -6.573
  774    HA   ASP  98           HA       ASP  98 -13.696  -1.532  -7.281
  775    HB2  ASP  98           1HB      ASP  98 -12.343  -2.697  -9.005
  776    HB3  ASP  98           2HB      ASP  98 -13.199  -4.198  -8.656
  777    H    ILE  99           H        ILE  99 -13.992  -4.685  -5.887
  778    HA   ILE  99           HA       ILE  99 -15.571  -5.749  -4.707
  779    HB   ILE  99           HB       ILE  99 -17.389  -3.364  -5.054
  780   HG12  ILE  99          1HG1      ILE  99 -15.263  -2.752  -3.894
  781   HG13  ILE  99          2HG1      ILE  99 -16.694  -2.579  -2.903
  782   HG21  ILE  99          1HG2      ILE  99 -18.716  -5.262  -4.437
  783   HG22  ILE  99          2HG2      ILE  99 -17.597  -5.695  -3.130
  784   HG23  ILE  99          3HG2      ILE  99 -18.550  -4.201  -3.041
  785   HD11  ILE  99          3HD1      ILE  99 -14.732  -3.550  -1.697
  786   HD12  ILE  99          1HD1      ILE  99 -16.169  -4.577  -1.632
  787   HD13  ILE  99          2HD1      ILE  99 -14.834  -4.989  -2.730
  788    HA   PRO 100           HA       PRO 100 -17.747  -7.666  -8.141
  789    HB2  PRO 100           1HB      PRO 100 -18.472 -10.022  -6.993
  790    HB3  PRO 100           2HB      PRO 100 -16.772  -9.623  -7.360
  791    HG2  PRO 100           1HG      PRO 100 -18.237  -9.339  -4.709
  792    HG3  PRO 100           2HG      PRO 100 -16.640 -10.093  -5.005
  793    HD2  PRO 100           1HD      PRO 100 -16.935  -7.488  -4.155
  794    HD3  PRO 100           2HD      PRO 100 -15.592  -8.002  -5.212
  795    H    LYS 101           H        LYS 101 -19.879  -8.444  -8.677
  796    HA   LYS 101           HA       LYS 101 -22.013  -6.869  -7.605
  797    HB2  LYS 101           1HB      LYS 101 -23.471  -8.117  -9.078
  798    HB3  LYS 101           2HB      LYS 101 -21.983  -7.662  -9.902
  799    HG2  LYS 101           1HG      LYS 101 -21.112  -9.995  -9.584
  800    HG3  LYS 101           2HG      LYS 101 -22.648 -10.437  -8.810
  801    HD2  LYS 101           1HD      LYS 101 -23.869  -9.843 -10.884
  802    HD3  LYS 101           2HD      LYS 101 -22.333  -9.395 -11.660
  803    HE2  LYS 101           1HE      LYS 101 -21.496 -11.716 -11.332
  804    HE3  LYS 101           2HE      LYS 101 -23.027 -12.162 -10.566
  805    HZ1  LYS 101           3HZ      LYS 101 -22.994 -12.782 -12.908
  806    HZ2  LYS 101           1HZ      LYS 101 -24.148 -11.654 -12.665
  807    HZ3  LYS 101           2HZ      LYS 101 -22.734 -11.240 -13.374
  808    H    LYS 102           H        LYS 102 -20.968 -10.125  -6.778
  809    HA   LYS 102           HA       LYS 102 -23.118 -10.944  -5.103
  810    HB2  LYS 102           1HB      LYS 102 -21.260 -12.323  -6.047
  811    HB3  LYS 102           2HB      LYS 102 -20.140 -11.581  -4.896
  812    HG2  LYS 102           1HG      LYS 102 -21.448 -12.521  -3.009
  813    HG3  LYS 102           2HG      LYS 102 -22.608 -13.225  -4.145
  814    HD2  LYS 102           1HD      LYS 102 -19.637 -13.914  -3.983
  815    HD3  LYS 102           2HD      LYS 102 -20.946 -14.846  -3.241
  816    HE2  LYS 102           1HE      LYS 102 -21.952 -15.222  -5.496
  817    HE3  LYS 102           2HE      LYS 102 -20.603 -14.347  -6.234
  818    HZ1  LYS 102           3HZ      LYS 102 -20.233 -16.737  -6.280
  819    HZ2  LYS 102           1HZ      LYS 102 -19.102 -16.036  -5.334
  820    HZ3  LYS 102           2HZ      LYS 102 -20.350 -16.847  -4.655
  821    H    GLY 103           H        GLY 103 -20.639  -8.556  -4.504
  822    HA2  GLY 103           1HA      GLY 103 -21.021  -8.423  -1.592
  823    HA3  GLY 103           2HA      GLY 103 -20.014  -7.371  -2.622
  824    H    VAL 104           H        VAL 104 -22.812  -7.190  -4.198
  825    HA   VAL 104           HA       VAL 104 -23.522  -4.622  -2.917
  826    HB   VAL 104           HB       VAL 104 -24.610  -5.865  -5.475
  827   HG11  VAL 104          1HG1      VAL 104 -26.201  -4.241  -4.508
  828   HG12  VAL 104          2HG1      VAL 104 -24.897  -3.048  -4.328
  829   HG13  VAL 104          3HG1      VAL 104 -25.428  -3.563  -5.943
  830   HG21  VAL 104          3HG2      VAL 104 -23.184  -4.190  -6.621
  831   HG22  VAL 104          1HG2      VAL 104 -22.501  -3.696  -5.056
  832   HG23  VAL 104          2HG2      VAL 104 -22.205  -5.327  -5.692
  833    H    SER 105           H        SER 105 -24.844  -4.671  -1.269
  834    HA   SER 105           HA       SER 105 -27.533  -5.765  -1.302
  835    HB2  SER 105           1HB      SER 105 -25.371  -7.072   0.393
  836    HB3  SER 105           2HB      SER 105 -27.061  -7.048   0.907
  837    HG   SER 105           HG       SER 105 -26.209  -8.073  -1.610
  838    H    GLY 106           H        GLY 106 -28.791  -4.970   0.482
  839    HA2  GLY 106           1HA      GLY 106 -27.832  -2.457   1.627
  840    HA3  GLY 106           2HA      GLY 106 -29.437  -3.175   1.841
  841    HA   PRO 107           HA       PRO 107 -26.599  -4.063   5.592
  842    HB2  PRO 107           1HB      PRO 107 -26.812  -1.891   7.216
  843    HB3  PRO 107           2HB      PRO 107 -25.640  -1.953   5.863
  844    HG2  PRO 107           1HG      PRO 107 -28.402  -0.685   5.872
  845    HG3  PRO 107           2HG      PRO 107 -26.855   0.045   5.336
  846    HD2  PRO 107           1HD      PRO 107 -28.600  -1.118   3.580
  847    HD3  PRO 107           2HD      PRO 107 -26.827  -1.230   3.358
  848    H    SER 108           H        SER 108 -27.389  -4.786   7.642
  849    HA   SER 108           HA       SER 108 -30.163  -5.404   7.810
  850    HB2  SER 108           1HB      SER 108 -28.076  -5.494  10.015
  851    HB3  SER 108           2HB      SER 108 -29.602  -6.391   9.959
  852    HG   SER 108           HG       SER 108 -27.813  -7.687   9.292
  853    H    SER 109           H        SER 109 -28.659  -2.470   8.658
  854    HA   SER 109           HA       SER 109 -30.366  -1.680  10.875
  855    HB2  SER 109           1HB      SER 109 -28.661   0.031   9.030
  856    HB3  SER 109           2HB      SER 109 -29.294   0.485  10.620
  857    HG   SER 109           HG       SER 109 -27.095  -0.190  10.738
  858    H    GLY 110           H        GLY 110 -31.074  -1.938   7.558
  859    HA2  GLY 110           1HA      GLY 110 -33.675  -0.779   7.759
  860    HA3  GLY 110           2HA      GLY 110 -32.608   0.388   6.978
  861   H5'1  ATP 201          H5"       ATP 111  12.125 -14.085   5.009
  862   H5'2  ATP 201          H5'       ATP 111  11.643 -12.792   6.105
  863    H4'  ATP 201           H4'      ATP 111   9.914 -14.517   5.826
  864    H3'  ATP 201           H3'      ATP 111  10.516 -14.663   3.161
  865   HO3'  ATP 201          H3T       ATP 111   8.260 -15.506   2.999
  866    H2'  ATP 201           H2'      ATP 111   9.806 -12.461   2.681
  867   HO2'  ATP 201          2HO       ATP 111   8.766 -13.670   1.173
  868    H1'  ATP 201           H1'      ATP 111   7.314 -12.915   4.340
  869    H8   ATP 201           8H       ATP 111  10.058 -10.282   3.392
  870   HN61  ATP 201          2H6       ATP 111   6.899  -6.581   2.854
  871   HN62  ATP 201          1H6       ATP 111   5.228  -6.363   3.390
  872    H2   ATP 201           2H       ATP 111   3.898 -10.045   5.218
  Start of MODEL   15
    1    HA   PRO   1           HA       PRO   1   3.697  14.249  25.184
    2    HB2  PRO   1           1HB      PRO   1   4.870  16.433  23.468
    3    HB3  PRO   1           2HB      PRO   1   3.568  16.514  24.691
    4    HG2  PRO   1           1HG      PRO   1   6.422  16.968  25.052
    5    HG3  PRO   1           2HG      PRO   1   5.168  17.003  26.325
    6    HD2  PRO   1           1HD      PRO   1   7.150  15.087  26.249
    7    HD3  PRO   1           2HD      PRO   1   5.527  14.808  26.925
    8    H    SER   2           H        SER   2   2.140  14.499  23.333
    9    HA   SER   2           HA       SER   2   2.907  13.815  20.634
   10    HB2  SER   2           1HB      SER   2   3.107  11.583  21.836
   11    HB3  SER   2           2HB      SER   2   1.370  11.681  22.157
   12    HG   SER   2           HG       SER   2   1.898  10.491  20.225
   13    H    SER   3           H        SER   3   0.837  13.366  19.319
   14    HA   SER   3           HA       SER   3  -1.737  14.301  20.187
   15    HB2  SER   3           1HB      SER   3   0.054  16.274  18.720
   16    HB3  SER   3           2HB      SER   3  -1.707  16.349  18.614
   17    HG   SER   3           HG       SER   3  -0.430  16.252  21.135
   18    H    GLY   4           H        GLY   4  -3.317  14.152  18.528
   19    HA2  GLY   4           1HA      GLY   4  -2.634  12.408  16.245
   20    HA3  GLY   4           2HA      GLY   4  -4.250  12.915  16.770
   21    H    SER   5           H        SER   5  -3.905  12.896  14.178
   22    HA   SER   5           HA       SER   5  -3.085  15.566  13.157
   23    HB2  SER   5           1HB      SER   5  -4.177  13.111  11.738
   24    HB3  SER   5           2HB      SER   5  -3.684  14.622  10.956
   25    HG   SER   5           HG       SER   5  -1.977  13.004  12.588
   26    H    SER   6           H        SER   6  -4.500  17.233  13.337
   27    HA   SER   6           HA       SER   6  -7.363  16.740  13.749
   28    HB2  SER   6           1HB      SER   6  -7.344  19.161  14.334
   29    HB3  SER   6           2HB      SER   6  -6.212  18.182  15.276
   30    HG   SER   6           HG       SER   6  -5.262  20.158  14.515
   31    H    GLY   7           H        GLY   7  -5.581  17.237  10.959
   32    HA2  GLY   7           1HA      GLY   7  -7.970  18.137   9.429
   33    HA3  GLY   7           2HA      GLY   7  -6.489  19.071   9.272
   34    H    PHE   8           H        PHE   8  -7.582  18.017   7.072
   35    HA   PHE   8           HA       PHE   8  -6.466  15.444   6.320
   36    HB2  PHE   8           1HB      PHE   8  -7.734  17.644   4.643
   37    HB3  PHE   8           2HB      PHE   8  -7.399  16.007   4.102
   38    HD1  PHE   8           1HD      PHE   8  -8.523  14.040   5.369
   39    HD2  PHE   8           2HD      PHE   8  -9.830  18.139   5.685
   40    HE1  PHE   8           1HE      PHE   8 -10.736  13.273   6.196
   41    HE2  PHE   8           2HE      PHE   8 -12.040  17.367   6.512
   42    HZ   PHE   8           HZ       PHE   8 -12.497  14.935   6.770
   43    H    LEU   9           H        LEU   9  -5.042  15.101   4.504
   44    HA   LEU   9           HA       LEU   9  -3.117  17.154   3.715
   45    HB2  LEU   9           1HB      LEU   9  -2.380  16.392   5.996
   46    HB3  LEU   9           2HB      LEU   9  -2.334  14.738   5.398
   47    HG   LEU   9           HG       LEU   9  -0.479  15.322   3.867
   48   HD11  LEU   9          1HD1      LEU   9  -0.950  17.716   3.439
   49   HD12  LEU   9          2HD1      LEU   9  -0.644  18.093   5.148
   50   HD13  LEU   9          3HD1      LEU   9   0.673  17.519   4.104
   51   HD21  LEU   9          3HD2      LEU   9   1.233  15.648   5.595
   52   HD22  LEU   9          1HD2      LEU   9  -0.013  16.163   6.755
   53   HD23  LEU   9          2HD2      LEU   9  -0.011  14.501   6.123
   54    H    ASP  10           H        ASP  10  -1.663  16.392   2.062
   55    HA   ASP  10           HA       ASP  10  -2.432  13.898   0.624
   56    HB2  ASP  10           1HB      ASP  10  -2.230  16.701  -0.533
   57    HB3  ASP  10           2HB      ASP  10  -2.308  15.230  -1.495
   58    H    LYS  11           H        LYS  11  -0.869  13.144  -0.868
   59    HA   LYS  11           HA       LYS  11   1.931  14.111  -0.585
   60    HB2  LYS  11           1HB      LYS  11   0.718  11.395   0.011
   61    HB3  LYS  11           2HB      LYS  11   2.343  11.463  -0.619
   62    HG2  LYS  11           1HG      LYS  11   2.295  13.431   1.449
   63    HG3  LYS  11           2HG      LYS  11   1.377  12.060   2.076
   64    HD2  LYS  11           1HD      LYS  11   3.301  10.561   1.486
   65    HD3  LYS  11           2HD      LYS  11   4.210  11.972   0.927
   66    HE2  LYS  11           1HE      LYS  11   3.107  11.666   3.765
   67    HE3  LYS  11           2HE      LYS  11   4.719  11.125   3.297
   68    HZ1  LYS  11           3HZ      LYS  11   4.796  13.338   4.252
   69    HZ2  LYS  11           1HZ      LYS  11   5.262  13.413   2.684
   70    HZ3  LYS  11           2HZ      LYS  11   3.772  13.935   3.121
   71    HA   PRO  12           HA       PRO  12   2.227  13.910  -4.865
   72    HB2  PRO  12           1HB      PRO  12   4.804  13.161  -5.411
   73    HB3  PRO  12           2HB      PRO  12   4.370  14.693  -4.606
   74    HG2  PRO  12           1HG      PRO  12   5.188  12.064  -3.336
   75    HG3  PRO  12           2HG      PRO  12   5.870  13.692  -2.999
   76    HD2  PRO  12           1HD      PRO  12   3.947  12.598  -1.414
   77    HD3  PRO  12           2HD      PRO  12   3.937  14.334  -1.767
   78    H    THR  13           H        THR  13   2.929  12.643  -6.789
   79    HA   THR  13           HA       THR  13   2.689   9.778  -6.895
   80    HB   THR  13           HB       THR  13   0.416  10.348  -6.074
   81    HG1  THR  13           1HG      THR  13  -0.470   8.957  -7.428
   82   HG21  THR  13          3HG2      THR  13  -1.129  11.601  -7.354
   83   HG22  THR  13          1HG2      THR  13   0.300  12.618  -7.259
   84   HG23  THR  13          2HG2      THR  13  -0.033  11.717  -8.753
   85    H    LEU  14           H        LEU  14   2.087   9.119  -9.123
   86    HA   LEU  14           HA       LEU  14   3.590  10.747 -11.136
   87    HB2  LEU  14           1HB      LEU  14   2.748   7.825 -11.085
   88    HB3  LEU  14           2HB      LEU  14   3.774   8.554 -12.302
   89    HG   LEU  14           HG       LEU  14   4.780   8.876  -9.483
   90   HD11  LEU  14          1HD1      LEU  14   3.780   6.651  -9.363
   91   HD12  LEU  14          2HD1      LEU  14   4.678   6.143 -10.814
   92   HD13  LEU  14          3HD1      LEU  14   5.555   6.561  -9.320
   93   HD21  LEU  14          3HD2      LEU  14   6.918   8.338 -10.532
   94   HD22  LEU  14          1HD2      LEU  14   6.104   7.915 -12.055
   95   HD23  LEU  14          2HD2      LEU  14   6.082   9.593 -11.466
   96    H    LEU  15           H        LEU  15   0.430   9.745 -10.257
   97    HA   LEU  15           HA       LEU  15  -0.709   9.687 -12.944
   98    HB2  LEU  15           1HB      LEU  15  -2.255   9.793 -10.342
   99    HB3  LEU  15           2HB      LEU  15  -2.786   9.181 -11.896
  100    HG   LEU  15           HG       LEU  15  -0.765   7.882 -10.033
  101   HD11  LEU  15          1HD1      LEU  15  -3.155   7.680  -9.395
  102   HD12  LEU  15          2HD1      LEU  15  -3.517   6.990 -10.991
  103   HD13  LEU  15          3HD1      LEU  15  -2.460   6.118  -9.860
  104   HD21  LEU  15          3HD2      LEU  15  -0.747   5.983 -11.648
  105   HD22  LEU  15          1HD2      LEU  15  -1.668   6.973 -12.803
  106   HD23  LEU  15          2HD2      LEU  15  -0.018   7.441 -12.323
  107    H    SER  16           H        SER  16  -2.952  10.791 -13.066
  108    HA   SER  16           HA       SER  16  -2.579  13.704 -13.146
  109    HB2  SER  16           1HB      SER  16  -4.509  11.698 -14.316
  110    HB3  SER  16           2HB      SER  16  -4.791  13.396 -14.428
  111    HG   SER  16           HG       SER  16  -3.655  12.580 -16.284
  112    HA   PRO  17           HA       PRO  17  -5.207  14.625  -9.713
  113    HB2  PRO  17           1HB      PRO  17  -6.582  16.850 -10.543
  114    HB3  PRO  17           2HB      PRO  17  -4.831  16.855 -10.165
  115    HG2  PRO  17           1HG      PRO  17  -6.153  16.587 -12.886
  116    HG3  PRO  17           2HG      PRO  17  -4.805  17.674 -12.412
  117    HD2  PRO  17           1HD      PRO  17  -4.338  15.297 -13.639
  118    HD3  PRO  17           2HD      PRO  17  -3.262  15.898 -12.340
  119    H    GLU  18           H        GLU  18  -6.661  13.862 -12.796
  120    HA   GLU  18           HA       GLU  18  -9.377  13.563 -11.728
  121    HB2  GLU  18           1HB      GLU  18  -8.260  12.668 -14.412
  122    HB3  GLU  18           2HB      GLU  18  -9.956  12.877 -13.962
  123    HG2  GLU  18           1HG      GLU  18  -9.467  15.347 -13.607
  124    HG3  GLU  18           2HG      GLU  18  -7.852  15.064 -14.277
  125    H    GLU  19           H        GLU  19  -6.558  11.499 -12.262
  126    HA   GLU  19           HA       GLU  19  -7.911   8.942 -12.422
  127    HB2  GLU  19           1HB      GLU  19  -5.077   9.877 -11.874
  128    HB3  GLU  19           2HB      GLU  19  -5.498   8.197 -11.682
  129    HG2  GLU  19           1HG      GLU  19  -5.837   9.818 -14.241
  130    HG3  GLU  19           2HG      GLU  19  -4.478   8.758 -13.873
  131    H    LEU  20           H        LEU  20  -6.170  10.631  -9.873
  132    HA   LEU  20           HA       LEU  20  -6.417   8.711  -7.777
  133    HB2  LEU  20           1HB      LEU  20  -6.168  11.740  -7.572
  134    HB3  LEU  20           2HB      LEU  20  -5.690  10.596  -6.339
  135    HG   LEU  20           HG       LEU  20  -4.346  10.283  -9.028
  136   HD11  LEU  20          1HD1      LEU  20  -4.519  12.746  -8.656
  137   HD12  LEU  20          2HD1      LEU  20  -3.561  12.545  -7.175
  138   HD13  LEU  20          3HD1      LEU  20  -2.876  12.113  -8.774
  139   HD21  LEU  20          3HD2      LEU  20  -2.426   9.722  -7.705
  140   HD22  LEU  20          1HD2      LEU  20  -3.217  10.258  -6.208
  141   HD23  LEU  20          2HD2      LEU  20  -3.816   8.822  -7.076
  142    H    LYS  21           H        LYS  21  -8.293  11.621  -8.537
  143    HA   LYS  21           HA       LYS  21 -10.334  11.345  -6.525
  144    HB2  LYS  21           1HB      LYS  21 -10.060  12.823  -9.154
  145    HB3  LYS  21           2HB      LYS  21 -11.630  12.733  -8.375
  146    HG2  LYS  21           1HG      LYS  21 -10.387  14.796  -7.860
  147    HG3  LYS  21           2HG      LYS  21 -10.913  13.900  -6.440
  148    HD2  LYS  21           1HD      LYS  21  -8.705  13.134  -5.943
  149    HD3  LYS  21           2HD      LYS  21  -8.066  13.658  -7.496
  150    HE2  LYS  21           1HE      LYS  21  -9.180  15.539  -5.367
  151    HE3  LYS  21           2HE      LYS  21  -7.470  15.131  -5.540
  152    HZ1  LYS  21           3HZ      LYS  21  -7.941  17.186  -6.688
  153    HZ2  LYS  21           1HZ      LYS  21  -7.551  16.051  -7.803
  154    HZ3  LYS  21           2HZ      LYS  21  -9.110  16.499  -7.599
  155    H    ALA  22           H        ALA  22 -10.200  10.070  -9.905
  156    HA   ALA  22           HA       ALA  22 -12.826   8.892  -9.785
  157    HB1  ALA  22           1HB      ALA  22 -11.678   9.401 -11.895
  158    HB2  ALA  22           2HB      ALA  22 -10.417   8.203 -11.527
  159    HB3  ALA  22           3HB      ALA  22 -12.090   7.679 -11.808
  160    H    ALA  23           H        ALA  23  -9.586   7.503  -9.075
  161    HA   ALA  23           HA       ALA  23 -10.446   4.868  -8.426
  162    HB1  ALA  23           1HB      ALA  23  -8.093   5.568  -8.849
  163    HB2  ALA  23           2HB      ALA  23  -8.101   6.497  -7.330
  164    HB3  ALA  23           3HB      ALA  23  -8.255   4.730  -7.296
  165    H    SER  24           H        SER  24 -10.077   7.744  -6.318
  166    HA   SER  24           HA       SER  24 -10.892   6.425  -3.895
  167    HB2  SER  24           1HB      SER  24  -9.544   8.510  -4.090
  168    HB3  SER  24           2HB      SER  24 -11.004   9.379  -4.602
  169    HG   SER  24           HG       SER  24 -10.590   9.557  -2.317
  170    H    ARG  25           H        ARG  25 -12.761   8.396  -6.239
  171    HA   ARG  25           HA       ARG  25 -15.228   8.278  -4.771
  172    HB2  ARG  25           1HB      ARG  25 -14.523  10.022  -6.404
  173    HB3  ARG  25           2HB      ARG  25 -14.751   8.872  -7.713
  174    HG2  ARG  25           1HG      ARG  25 -16.624  10.419  -7.504
  175    HG3  ARG  25           2HG      ARG  25 -17.162   8.762  -7.247
  176    HD2  ARG  25           1HD      ARG  25 -17.231   9.145  -4.811
  177    HD3  ARG  25           2HD      ARG  25 -16.569  10.780  -5.036
  178    HE   ARG  25           HE       ARG  25 -18.912  10.530  -6.618
  179   HH11  ARG  25          1HH1      ARG  25 -18.095  10.686  -3.178
  180   HH12  ARG  25          2HH1      ARG  25 -19.640  11.357  -2.748
  181   HH21  ARG  25          1HH2      ARG  25 -20.883  11.399  -5.995
  182   HH22  ARG  25          2HH2      ARG  25 -21.195  11.756  -4.322
  183    H    GLY  26           H        GLY  26 -13.791   6.153  -7.144
  184    HA2  GLY  26           1HA      GLY  26 -16.044   4.916  -8.244
  185    HA3  GLY  26           2HA      GLY  26 -14.429   4.184  -8.151
  186    H    ASN  27           H        ASN  27 -14.539   4.131  -5.148
  187    HA   ASN  27           HA       ASN  27 -16.916   2.661  -4.405
  188    HB2  ASN  27           1HB      ASN  27 -15.641   0.856  -5.582
  189    HB3  ASN  27           2HB      ASN  27 -14.313   1.086  -4.448
  190   HD21  ASN  27          2HD2      ASN  27 -14.388  -0.897  -3.370
  191   HD22  ASN  27          1HD2      ASN  27 -15.761  -1.359  -2.367
  192    H    GLY  28           H        GLY  28 -13.614   3.665  -3.442
  193    HA2  GLY  28           1HA      GLY  28 -13.122   4.983  -1.567
  194    HA3  GLY  28           2HA      GLY  28 -14.678   4.559  -0.822
  195    H    GLU  29           H        GLU  29 -13.112   1.784  -1.901
  196    HA   GLU  29           HA       GLU  29 -12.125   0.970   0.754
  197    HB2  GLU  29           1HB      GLU  29 -13.088  -0.356  -1.621
  198    HB3  GLU  29           2HB      GLU  29 -11.442  -0.832  -1.373
  199    HG2  GLU  29           1HG      GLU  29 -12.919  -2.392  -0.203
  200    HG3  GLU  29           2HG      GLU  29 -11.987  -1.488   0.984
  201    H    TYR  30           H        TYR  30  -9.945  -0.400   0.462
  202    HA   TYR  30           HA       TYR  30  -7.881   0.641  -1.229
  203    HB2  TYR  30           1HB      TYR  30  -6.554   1.834   0.368
  204    HB3  TYR  30           2HB      TYR  30  -8.130   2.592   0.294
  205    HD1  TYR  30           1HD      TYR  30  -9.885   1.867   2.105
  206    HD2  TYR  30           2HD      TYR  30  -5.668   1.033   2.409
  207    HE1  TYR  30           1HE      TYR  30 -10.129   1.529   4.572
  208    HE2  TYR  30           2HE      TYR  30  -5.911   0.636   4.855
  209    HH   TYR  30           HH       TYR  30  -9.060   0.993   6.543
  210    H    ALA  31           H        ALA  31  -5.941  -0.427  -1.032
  211    HA   ALA  31           HA       ALA  31  -5.435  -2.360   1.125
  212    HB1  ALA  31           1HB      ALA  31  -6.705  -3.813  -0.248
  213    HB2  ALA  31           2HB      ALA  31  -6.058  -3.137  -1.753
  214    HB3  ALA  31           3HB      ALA  31  -5.041  -4.155  -0.706
  215    H    TRP  32           H        TRP  32  -3.318  -3.154   1.123
  216    HA   TRP  32           HA       TRP  32  -1.331  -1.705  -0.576
  217    HB2  TRP  32           1HB      TRP  32  -1.192  -2.421   2.374
  218    HB3  TRP  32           2HB      TRP  32   0.217  -2.042   1.401
  219    HD1  TRP  32           HD       TRP  32  -3.151  -0.229   2.102
  220    HE1  TRP  32           1HE      TRP  32  -2.699   2.284   2.300
  221    HE3  TRP  32           3HE      TRP  32   1.921  -0.261   1.346
  222    HZ2  TRP  32           2HZ      TRP  32  -0.394   4.018   2.411
  223    HZ3  TRP  32           3HZ      TRP  32   3.218   1.846   1.544
  224    HH2  TRP  32           HH       TRP  32   2.072   3.986   2.068
  225    H    TYR  33           H        TYR  33   0.355  -2.889  -1.337
  226    HA   TYR  33           HA       TYR  33   0.282  -5.855  -1.025
  227    HB2  TYR  33           1HB      TYR  33   0.307  -4.217  -3.586
  228    HB3  TYR  33           2HB      TYR  33   0.724  -5.917  -3.526
  229    HD1  TYR  33           2HD      TYR  33  -2.081  -3.508  -2.901
  230    HD2  TYR  33           1HD      TYR  33  -0.927  -7.595  -3.672
  231    HE1  TYR  33           2HE      TYR  33  -4.475  -4.127  -3.195
  232    HE2  TYR  33           1HE      TYR  33  -3.316  -8.213  -3.963
  233    HH   TYR  33           HH       TYR  33  -5.503  -7.476  -3.950
  234    H    TYR  34           H        TYR  34   2.214  -6.940  -1.514
  235    HA   TYR  34           HA       TYR  34   4.704  -5.335  -1.854
  236    HB2  TYR  34           1HB      TYR  34   5.804  -6.634  -0.137
  237    HB3  TYR  34           2HB      TYR  34   4.406  -5.821   0.533
  238    HD1  TYR  34           2HD      TYR  34   2.405  -7.092   1.261
  239    HD2  TYR  34           1HD      TYR  34   5.908  -9.084  -0.273
  240    HE1  TYR  34           2HE      TYR  34   1.588  -9.242   2.199
  241    HE2  TYR  34           1HE      TYR  34   5.094 -11.238   0.656
  242    HH   TYR  34           HH       TYR  34   3.427 -12.307   1.831
  243    H    GLU  35           H        GLU  35   6.427  -6.478  -2.943
  244    HA   GLU  35           HA       GLU  35   5.575  -8.748  -4.609
  245    HB2  GLU  35           1HB      GLU  35   8.279  -7.390  -4.309
  246    HB3  GLU  35           2HB      GLU  35   7.958  -8.792  -5.339
  247    HG2  GLU  35           1HG      GLU  35   6.061  -7.363  -6.383
  248    HG3  GLU  35           2HG      GLU  35   6.883  -5.986  -5.636
  249    H    GLY  36           H        GLY  36   5.442 -10.717  -3.910
  250    HA2  GLY  36           1HA      GLY  36   7.225 -11.852  -1.795
  251    HA3  GLY  36           2HA      GLY  36   5.756 -12.577  -2.449
  252    H    ARG  37           H        ARG  37   7.069 -14.486  -2.640
  253    HA   ARG  37           HA       ARG  37   9.331 -14.683  -4.359
  254    HB2  ARG  37           1HB      ARG  37   8.722 -16.244  -2.522
  255    HB3  ARG  37           2HB      ARG  37   7.342 -16.808  -3.451
  256    HG2  ARG  37           1HG      ARG  37   9.193 -18.402  -3.540
  257    HG3  ARG  37           2HG      ARG  37   8.807 -17.795  -5.140
  258    HD2  ARG  37           1HD      ARG  37  11.213 -17.969  -4.866
  259    HD3  ARG  37           2HD      ARG  37  10.760 -16.272  -5.053
  260    HE   ARG  37           HE       ARG  37  10.876 -17.041  -2.264
  261   HH11  ARG  37          1HH1      ARG  37  13.039 -16.222  -4.938
  262   HH12  ARG  37          2HH1      ARG  37  14.290 -15.656  -3.873
  263   HH21  ARG  37          1HH2      ARG  37  12.519 -16.271  -0.946
  264   HH22  ARG  37          2HH2      ARG  37  13.997 -15.689  -1.644
  265    H    ASN  38           H        ASN  38   5.892 -14.893  -5.075
  266    HA   ASN  38           HA       ASN  38   6.454 -15.541  -7.927
  267    HB2  ASN  38           1HB      ASN  38   4.754 -17.118  -7.927
  268    HB3  ASN  38           2HB      ASN  38   5.845 -17.459  -6.579
  269   HD21  ASN  38          2HD2      ASN  38   2.850 -17.960  -7.232
  270   HD22  ASN  38          1HD2      ASN  38   2.058 -17.522  -5.721
  271    H    GLY  39           H        GLY  39   5.035 -13.235  -6.110
  272    HA2  GLY  39           1HA      GLY  39   4.242 -11.622  -8.263
  273    HA3  GLY  39           2HA      GLY  39   2.777 -12.439  -7.764
  274    H    TRP  40           H        TRP  40   2.290 -10.022  -7.513
  275    HA   TRP  40           HA       TRP  40   3.046  -8.793  -4.980
  276    HB2  TRP  40           1HB      TRP  40   0.775  -8.189  -6.907
  277    HB3  TRP  40           2HB      TRP  40   1.234  -7.206  -5.527
  278    HD1  TRP  40           HD       TRP  40   2.319  -8.113  -9.043
  279    HE1  TRP  40           1HE      TRP  40   4.115  -6.503  -9.867
  280    HE3  TRP  40           3HE      TRP  40   3.181  -5.565  -4.676
  281    HZ2  TRP  40           2HZ      TRP  40   5.593  -4.231  -8.828
  282    HZ3  TRP  40           3HZ      TRP  40   4.764  -3.658  -4.642
  283    HH2  TRP  40           HH       TRP  40   5.958  -2.968  -6.710
  284    H    TRP  41           H        TRP  41   2.145  -9.138  -3.045
  285    HA   TRP  41           HA       TRP  41  -0.479 -10.554  -2.822
  286    HB2  TRP  41           1HB      TRP  41   2.051 -11.064  -1.216
  287    HB3  TRP  41           2HB      TRP  41   0.485 -11.839  -0.952
  288    HD1  TRP  41           HD       TRP  41   3.625 -12.546  -2.547
  289    HE1  TRP  41           1HE      TRP  41   3.468 -14.254  -4.479
  290    HE3  TRP  41           3HE      TRP  41  -1.452 -12.601  -3.145
  291    HZ2  TRP  41           2HZ      TRP  41   1.412 -15.189  -6.287
  292    HZ3  TRP  41           3HZ      TRP  41  -2.482 -13.851  -4.995
  293    HH2  TRP  41           HH       TRP  41  -1.068 -15.155  -6.589
  294    H    GLN  42           H        GLN  42  -1.771 -10.048  -1.057
  295    HA   GLN  42           HA       GLN  42  -1.527  -7.220  -0.393
  296    HB2  GLN  42           1HB      GLN  42  -3.617  -8.497  -1.222
  297    HB3  GLN  42           2HB      GLN  42  -3.757  -9.102   0.434
  298    HG2  GLN  42           1HG      GLN  42  -3.740  -6.653   1.191
  299    HG3  GLN  42           2HG      GLN  42  -3.829  -6.197  -0.505
  300   HE21  GLN  42          2HE2      GLN  42  -5.763  -6.098   2.004
  301   HE22  GLN  42          1HE2      GLN  42  -7.266  -6.676   1.302
  302    H    TYR  43           H        TYR  43  -1.280  -6.266   1.577
  303    HA   TYR  43           HA       TYR  43  -0.332  -7.745   3.903
  304    HB2  TYR  43           1HB      TYR  43  -1.091  -4.869   3.332
  305    HB3  TYR  43           2HB      TYR  43  -0.721  -5.404   4.962
  306    HD1  TYR  43           2HD      TYR  43   1.548  -6.451   5.463
  307    HD2  TYR  43           1HD      TYR  43   0.677  -4.309   1.832
  308    HE1  TYR  43           2HE      TYR  43   3.976  -6.078   5.104
  309    HE2  TYR  43           1HE      TYR  43   3.104  -3.911   1.471
  310    HH   TYR  43           HH       TYR  43   5.588  -5.190   3.715
  311    H    ASP  44           H        ASP  44  -1.341  -7.787   5.966
  312    HA   ASP  44           HA       ASP  44  -4.081  -8.593   6.044
  313    HB2  ASP  44           1HB      ASP  44  -2.334  -9.411   7.559
  314    HB3  ASP  44           2HB      ASP  44  -2.148  -7.799   8.257
  315    H    GLU  45           H        GLU  45  -5.837  -7.623   7.316
  316    HA   GLU  45           HA       GLU  45  -6.346  -4.915   6.461
  317    HB2  GLU  45           1HB      GLU  45  -8.500  -5.263   7.699
  318    HB3  GLU  45           2HB      GLU  45  -8.159  -6.444   6.435
  319    HG2  GLU  45           1HG      GLU  45  -7.576  -8.148   8.043
  320    HG3  GLU  45           2HG      GLU  45  -7.554  -6.986   9.365
  321    H    ARG  46           H        ARG  46  -5.000  -6.246   9.407
  322    HA   ARG  46           HA       ARG  46  -5.452  -3.715  10.891
  323    HB2  ARG  46           1HB      ARG  46  -3.923  -6.126  11.866
  324    HB3  ARG  46           2HB      ARG  46  -4.662  -4.837  12.805
  325    HG2  ARG  46           1HG      ARG  46  -6.043  -7.154  11.422
  326    HG3  ARG  46           2HG      ARG  46  -6.044  -6.729  13.127
  327    HD2  ARG  46           1HD      ARG  46  -7.411  -4.680  12.563
  328    HD3  ARG  46           2HD      ARG  46  -7.404  -5.201  10.870
  329    HE   ARG  46           HE       ARG  46  -9.023  -6.720  11.254
  330   HH11  ARG  46          1HH1      ARG  46  -7.836  -5.838  14.482
  331   HH12  ARG  46          2HH1      ARG  46  -9.128  -6.700  15.264
  332   HH21  ARG  46          1HH2      ARG  46 -10.579  -7.775  12.277
  333   HH22  ARG  46          2HH2      ARG  46 -10.682  -7.807  14.020
  334    H    THR  47           H        THR  47  -3.110  -5.059   8.809
  335    HA   THR  47           HA       THR  47  -0.892  -3.397   9.872
  336    HB   THR  47           HB       THR  47  -0.892  -5.482   7.655
  337    HG1  THR  47           1HG      THR  47   0.237  -6.633   9.311
  338   HG21  THR  47          3HG2      THR  47   1.621  -5.318   8.014
  339   HG22  THR  47          1HG2      THR  47   0.904  -3.874   7.271
  340   HG23  THR  47          2HG2      THR  47   1.318  -3.859   8.993
  341    H    SER  48           H        SER  48  -2.593  -3.940   6.739
  342    HA   SER  48           HA       SER  48  -1.352  -1.800   5.342
  343    HB2  SER  48           1HB      SER  48  -3.241  -1.964   3.776
  344    HB3  SER  48           2HB      SER  48  -2.552  -3.539   4.173
  345    HG   SER  48           HG       SER  48  -4.313  -4.035   5.401
  346    H    ARG  49           H        ARG  49  -4.122  -1.705   7.526
  347    HA   ARG  49           HA       ARG  49  -4.979   0.947   6.932
  348    HB2  ARG  49           1HB      ARG  49  -6.281   0.795   8.921
  349    HB3  ARG  49           2HB      ARG  49  -6.268  -0.782   8.141
  350    HG2  ARG  49           1HG      ARG  49  -5.913  -1.466  10.296
  351    HG3  ARG  49           2HG      ARG  49  -4.249  -1.279   9.788
  352    HD2  ARG  49           1HD      ARG  49  -4.435  -0.325  11.960
  353    HD3  ARG  49           2HD      ARG  49  -4.281   1.034  10.846
  354    HE   ARG  49           HE       ARG  49  -7.052   0.400  11.333
  355   HH11  ARG  49          1HH1      ARG  49  -4.276   2.007  12.856
  356   HH12  ARG  49          2HH1      ARG  49  -5.299   3.075  13.780
  357   HH21  ARG  49          1HH2      ARG  49  -8.303   1.810  12.563
  358   HH22  ARG  49          2HH2      ARG  49  -7.543   2.955  13.624
  359    H    GLU  50           H        GLU  50  -2.155  -0.166   8.705
  360    HA   GLU  50           HA       GLU  50  -1.774   2.393  10.136
  361    HB2  GLU  50           1HB      GLU  50   0.123   0.046   9.727
  362    HB3  GLU  50           2HB      GLU  50   0.407   1.419  10.782
  363    HG2  GLU  50           1HG      GLU  50  -1.954  -0.478  11.135
  364    HG3  GLU  50           2HG      GLU  50  -0.388  -0.719  11.893
  365    H    LEU  51           H        LEU  51  -0.501   0.702   7.279
  366    HA   LEU  51           HA       LEU  51   1.425   2.644   6.440
  367    HB2  LEU  51           1HB      LEU  51  -0.185   0.748   4.689
  368    HB3  LEU  51           2HB      LEU  51   1.416   1.410   4.376
  369    HG   LEU  51           HG       LEU  51   0.716  -0.640   6.521
  370   HD11  LEU  51          1HD1      LEU  51   0.586  -1.488   4.216
  371   HD12  LEU  51          2HD1      LEU  51   2.263  -0.967   3.930
  372   HD13  LEU  51          3HD1      LEU  51   1.905  -2.227   5.138
  373   HD21  LEU  51          3HD2      LEU  51   3.183  -0.853   6.786
  374   HD22  LEU  51          1HD2      LEU  51   3.390   0.564   5.728
  375   HD23  LEU  51          2HD2      LEU  51   2.571   0.719   7.301
  376    H    GLU  52           H        GLU  52  -1.986   2.131   5.533
  377    HA   GLU  52           HA       GLU  52  -2.337   4.347   3.829
  378    HB2  GLU  52           1HB      GLU  52  -3.891   2.361   4.265
  379    HB3  GLU  52           2HB      GLU  52  -4.372   3.159   5.753
  380    HG2  GLU  52           1HG      GLU  52  -6.052   3.637   4.171
  381    HG3  GLU  52           2HG      GLU  52  -5.165   5.128   4.362
  382    H    ASP  53           H        ASP  53  -2.154   4.303   7.374
  383    HA   ASP  53           HA       ASP  53  -3.410   6.933   7.697
  384    HB2  ASP  53           1HB      ASP  53  -3.430   4.897   9.303
  385    HB3  ASP  53           2HB      ASP  53  -1.819   5.386   9.769
  386    H    ALA  54           H        ALA  54  -0.213   5.582   7.539
  387    HA   ALA  54           HA       ALA  54   1.301   7.677   8.692
  388    HB1  ALA  54           1HB      ALA  54   2.199   5.498   8.414
  389    HB2  ALA  54           2HB      ALA  54   2.016   5.555   6.646
  390    HB3  ALA  54           3HB      ALA  54   3.211   6.601   7.442
  391    H    PHE  55           H        PHE  55   0.624   7.260   5.150
  392    HA   PHE  55           HA       PHE  55   1.974   9.735   4.501
  393    HB2  PHE  55           1HB      PHE  55   1.334   9.405   2.319
  394    HB3  PHE  55           2HB      PHE  55   1.449   7.774   2.918
  395    HD1  PHE  55           2HD      PHE  55  -0.885  10.452   1.870
  396    HD2  PHE  55           1HD      PHE  55  -0.491   6.324   3.036
  397    HE1  PHE  55           2HE      PHE  55  -3.151   9.982   0.958
  398    HE2  PHE  55           1HE      PHE  55  -2.738   5.851   2.095
  399    HZ   PHE  55           HZ       PHE  55  -4.076   7.670   1.062
  400    H    SER  56           H        SER  56  -1.141   8.970   5.692
  401    HA   SER  56           HA       SER  56  -2.441  11.530   5.078
  402    HB2  SER  56           1HB      SER  56  -3.522   9.208   5.381
  403    HB3  SER  56           2HB      SER  56  -3.349   9.483   7.112
  404    HG   SER  56           HG       SER  56  -5.402  10.191   6.293
  405    H    LYS  57           H        LYS  57  -0.632  10.194   7.847
  406    HA   LYS  57           HA       LYS  57  -1.035  12.484   9.618
  407    HB2  LYS  57           1HB      LYS  57   0.975  10.215   9.449
  408    HB3  LYS  57           2HB      LYS  57   1.084  11.481  10.672
  409    HG2  LYS  57           1HG      LYS  57  -0.820  10.783  11.817
  410    HG3  LYS  57           2HG      LYS  57  -1.514   9.964  10.415
  411    HD2  LYS  57           1HD      LYS  57  -0.663   8.344  12.099
  412    HD3  LYS  57           2HD      LYS  57   0.083   8.193  10.520
  413    HE2  LYS  57           1HE      LYS  57   1.944   7.999  11.852
  414    HE3  LYS  57           2HE      LYS  57   1.990   9.715  11.500
  415    HZ1  LYS  57           3HZ      LYS  57   2.278   9.338  13.879
  416    HZ2  LYS  57           1HZ      LYS  57   0.873  10.133  13.639
  417    HZ3  LYS  57           2HZ      LYS  57   0.860   8.536  13.983
  418    H    GLY  58           H        GLY  58   1.490  11.467   7.310
  419    HA2  GLY  58           1HA      GLY  58   2.307  13.306   5.825
  420    HA3  GLY  58           2HA      GLY  58   2.657  14.238   7.296
  421    H    LYS  59           H        LYS  59   3.442  11.115   8.182
  422    HA   LYS  59           HA       LYS  59   6.249  11.617   7.915
  423    HB2  LYS  59           1HB      LYS  59   6.456   9.217   8.749
  424    HB3  LYS  59           2HB      LYS  59   5.668  10.372   9.806
  425    HG2  LYS  59           1HG      LYS  59   3.504   9.487   9.416
  426    HG3  LYS  59           2HG      LYS  59   4.044   8.617   7.975
  427    HD2  LYS  59           1HD      LYS  59   3.661   7.104   9.890
  428    HD3  LYS  59           2HD      LYS  59   5.315   7.059   9.297
  429    HE2  LYS  59           1HE      LYS  59   6.006   8.581  11.174
  430    HE3  LYS  59           2HE      LYS  59   4.352   8.520  11.793
  431    HZ1  LYS  59           3HZ      LYS  59   5.685   6.884  12.925
  432    HZ2  LYS  59           1HZ      LYS  59   4.661   6.048  11.955
  433    HZ3  LYS  59           2HZ      LYS  59   6.227   6.236  11.532
  434    H    LYS  60           H        LYS  60   7.808  10.307   6.921
  435    HA   LYS  60           HA       LYS  60   7.072   9.617   4.113
  436    HB2  LYS  60           1HB      LYS  60   9.180  10.354   3.478
  437    HB3  LYS  60           2HB      LYS  60   8.642  11.521   4.674
  438    HG2  LYS  60           1HG      LYS  60  10.093  10.306   6.366
  439    HG3  LYS  60           2HG      LYS  60  10.702   9.313   5.024
  440    HD2  LYS  60           1HD      LYS  60  11.395  11.464   3.862
  441    HD3  LYS  60           2HD      LYS  60  10.901  12.343   5.305
  442    HE2  LYS  60           1HE      LYS  60  13.286  12.066   5.352
  443    HE3  LYS  60           2HE      LYS  60  12.590  11.100   6.654
  444    HZ1  LYS  60           3HZ      LYS  60  14.356   9.978   5.281
  445    HZ2  LYS  60           1HZ      LYS  60  12.966   9.124   5.362
  446    HZ3  LYS  60           2HZ      LYS  60  13.319   9.956   4.004
  447    H    ASN  61           H        ASN  61   7.560   7.975   6.884
  448    HA   ASN  61           HA       ASN  61   7.718   5.444   5.657
  449    HB2  ASN  61           1HB      ASN  61   9.792   4.547   6.504
  450    HB3  ASN  61           2HB      ASN  61  10.145   5.890   5.429
  451   HD21  ASN  61          2HD2      ASN  61  10.387   8.038   6.566
  452   HD22  ASN  61          1HD2      ASN  61  11.312   8.062   8.058
  453    H    THR  62           H        THR  62   7.014   3.897   7.030
  454    HA   THR  62           HA       THR  62   6.701   4.524   9.945
  455    HB   THR  62           HB       THR  62   4.631   5.067   8.577
  456    HG1  THR  62           1HG      THR  62   3.375   4.063  10.284
  457   HG21  THR  62          3HG2      THR  62   3.092   3.217   8.105
  458   HG22  THR  62          1HG2      THR  62   4.565   3.036   7.139
  459   HG23  THR  62          2HG2      THR  62   4.310   2.021   8.574
  460    H    GLU  63           H        GLU  63   5.579   2.387  10.952
  461    HA   GLU  63           HA       GLU  63   7.461   0.145  10.335
  462    HB2  GLU  63           1HB      GLU  63   6.829   1.529  12.973
  463    HB3  GLU  63           2HB      GLU  63   7.570  -0.070  12.872
  464    HG2  GLU  63           1HG      GLU  63   9.418   0.821  11.537
  465    HG3  GLU  63           2HG      GLU  63   8.722   2.439  11.586
  466    H    MET  64           H        MET  64   6.785  -1.872  10.706
  467    HA   MET  64           HA       MET  64   4.083  -2.463  11.757
  468    HB2  MET  64           1HB      MET  64   3.559  -3.749   9.656
  469    HB3  MET  64           2HB      MET  64   3.535  -1.993   9.480
  470    HG2  MET  64           1HG      MET  64   5.703  -1.999   8.404
  471    HG3  MET  64           2HG      MET  64   5.945  -3.708   8.775
  472    HE1  MET  64           3HE      MET  64   5.985  -3.578   5.011
  473    HE2  MET  64           1HE      MET  64   6.880  -3.162   6.479
  474    HE3  MET  64           2HE      MET  64   6.322  -4.836   6.220
  475    H    LEU  65           H        LEU  65   3.706  -4.577  12.268
  476    HA   LEU  65           HA       LEU  65   6.085  -6.313  12.594
  477    HB2  LEU  65           1HB      LEU  65   4.250  -5.356  14.474
  478    HB3  LEU  65           2HB      LEU  65   3.570  -6.915  14.086
  479    HG   LEU  65           HG       LEU  65   4.952  -7.040  16.031
  480   HD11  LEU  65          1HD1      LEU  65   4.978  -9.034  14.599
  481   HD12  LEU  65          2HD1      LEU  65   6.474  -8.452  13.832
  482   HD13  LEU  65          3HD1      LEU  65   6.461  -8.852  15.551
  483   HD21  LEU  65          3HD2      LEU  65   7.307  -6.488  16.096
  484   HD22  LEU  65          1HD2      LEU  65   7.317  -6.123  14.360
  485   HD23  LEU  65          2HD2      LEU  65   6.390  -5.096  15.474
  486    H    ILE  66           H        ILE  66   6.060  -8.342  11.951
  487    HA   ILE  66           HA       ILE  66   3.753  -9.377  10.305
  488    HB   ILE  66           HB       ILE  66   5.226 -10.304   8.736
  489   HG12  ILE  66          1HG1      ILE  66   7.728  -8.975   9.396
  490   HG13  ILE  66          2HG1      ILE  66   7.264  -9.979  10.748
  491   HG21  ILE  66          1HG2      ILE  66   4.386  -7.964   8.504
  492   HG22  ILE  66          2HG2      ILE  66   5.943  -7.374   9.113
  493   HG23  ILE  66          3HG2      ILE  66   5.862  -8.316   7.604
  494   HD11  ILE  66          3HD1      ILE  66   8.694 -11.090   8.934
  495   HD12  ILE  66          1HD1      ILE  66   7.270 -11.979   9.474
  496   HD13  ILE  66          2HD1      ILE  66   7.225 -11.094   7.945
  497    H    ALA  67           H        ALA  67   5.086 -11.925   9.803
  498    HA   ALA  67           HA       ALA  67   4.081 -13.501  11.890
  499    HB1  ALA  67           1HB      ALA  67   4.492 -14.206   9.532
  500    HB2  ALA  67           2HB      ALA  67   6.249 -14.116   9.822
  501    HB3  ALA  67           3HB      ALA  67   5.264 -15.313  10.686
  502    H    GLY  68           H        GLY  68   7.125 -11.834  11.913
  503    HA2  GLY  68           1HA      GLY  68   7.749 -12.644  14.577
  504    HA3  GLY  68           2HA      GLY  68   8.725 -13.591  13.474
  505    H    PHE  69           H        PHE  69   8.042 -10.292  12.470
  506    HA   PHE  69           HA       PHE  69  10.684  -9.291  13.327
  507    HB2  PHE  69           1HB      PHE  69   9.945  -9.751  10.404
  508    HB3  PHE  69           2HB      PHE  69  11.327  -8.839  10.953
  509    HD1  PHE  69           2HD      PHE  69  13.293  -9.929  11.955
  510    HD2  PHE  69           1HD      PHE  69   9.957 -12.234  10.473
  511    HE1  PHE  69           2HE      PHE  69  14.703 -11.971  11.944
  512    HE2  PHE  69           1HE      PHE  69  11.372 -14.268  10.460
  513    HZ   PHE  69           HZ       PHE  69  13.745 -14.144  11.196
  514    H    LEU  70           H        LEU  70  11.006  -7.082  12.955
  515    HA   LEU  70           HA       LEU  70   8.591  -5.431  12.395
  516    HB2  LEU  70           1HB      LEU  70  10.107  -5.127  14.482
  517    HB3  LEU  70           2HB      LEU  70  11.323  -4.549  13.357
  518    HG   LEU  70           HG       LEU  70  10.341  -2.683  14.398
  519   HD11  LEU  70          1HD1      LEU  70  10.684  -2.500  11.863
  520   HD12  LEU  70          2HD1      LEU  70   8.909  -2.611  11.740
  521   HD13  LEU  70          3HD1      LEU  70   9.655  -1.295  12.645
  522   HD21  LEU  70          3HD2      LEU  70   7.935  -2.126  14.314
  523   HD22  LEU  70          1HD2      LEU  70   7.599  -3.707  13.581
  524   HD23  LEU  70          2HD2      LEU  70   8.269  -3.609  15.224
  525    H    TYR  71           H        TYR  71   8.378  -4.615  10.463
  526    HA   TYR  71           HA       TYR  71  10.757  -4.125   8.717
  527    HB2  TYR  71           1HB      TYR  71   7.968  -4.897   7.868
  528    HB3  TYR  71           2HB      TYR  71   9.232  -4.357   6.767
  529    HD1  TYR  71           1HD      TYR  71  11.620  -5.890   7.913
  530    HD2  TYR  71           2HD      TYR  71   7.579  -7.098   7.046
  531    HE1  TYR  71           1HE      TYR  71  12.363  -8.239   7.721
  532    HE2  TYR  71           2HE      TYR  71   8.283  -9.433   6.948
  533    HH   TYR  71           HH       TYR  71  10.121 -10.929   7.036
  534    H    VAL  72           H        VAL  72  11.116  -2.190   8.036
  535    HA   VAL  72           HA       VAL  72   9.381   0.071   8.813
  536    HB   VAL  72           HB       VAL  72  12.085   0.131   7.432
  537   HG11  VAL  72          1HG1      VAL  72  10.747   2.216   7.156
  538   HG12  VAL  72          2HG1      VAL  72  10.547   2.311   8.922
  539   HG13  VAL  72          3HG1      VAL  72  12.154   2.483   8.193
  540   HG21  VAL  72          3HG2      VAL  72  13.033   0.750   9.640
  541   HG22  VAL  72          1HG2      VAL  72  11.469   0.381  10.399
  542   HG23  VAL  72          2HG2      VAL  72  12.416  -0.900   9.607
  543    H    ALA  73           H        ALA  73   7.879   0.694   7.378
  544    HA   ALA  73           HA       ALA  73   8.045  -0.050   4.493
  545    HB1  ALA  73           1HB      ALA  73   5.971  -0.638   5.675
  546    HB2  ALA  73           2HB      ALA  73   5.770   1.047   6.200
  547    HB3  ALA  73           3HB      ALA  73   5.665   0.634   4.476
  548    H    ASP  74           H        ASP  74   9.130   1.377   3.317
  549    HA   ASP  74           HA       ASP  74   9.371   4.217   4.072
  550    HB2  ASP  74           1HB      ASP  74  11.363   2.913   3.437
  551    HB3  ASP  74           2HB      ASP  74  10.649   2.590   1.857
  552    H    LEU  75           H        LEU  75   7.900   5.594   3.414
  553    HA   LEU  75           HA       LEU  75   6.036   4.994   1.221
  554    HB2  LEU  75           1HB      LEU  75   6.231   7.162   3.347
  555    HB3  LEU  75           2HB      LEU  75   5.139   7.301   1.994
  556    HG   LEU  75           HG       LEU  75   3.882   5.374   2.653
  557   HD11  LEU  75          1HD1      LEU  75   5.521   3.904   3.706
  558   HD12  LEU  75          2HD1      LEU  75   5.673   5.049   5.067
  559   HD13  LEU  75          3HD1      LEU  75   4.143   4.208   4.768
  560   HD21  LEU  75          3HD2      LEU  75   2.809   6.354   4.562
  561   HD22  LEU  75          1HD2      LEU  75   4.322   7.103   5.125
  562   HD23  LEU  75          2HD2      LEU  75   3.523   7.704   3.672
  563    H    GLU  76           H        GLU  76   9.002   6.794   1.561
  564    HA   GLU  76           HA       GLU  76   8.599   8.760  -0.495
  565    HB2  GLU  76           1HB      GLU  76  11.177   7.418   0.435
  566    HB3  GLU  76           2HB      GLU  76  11.066   8.795  -0.648
  567    HG2  GLU  76           1HG      GLU  76   9.812   9.943   1.304
  568    HG3  GLU  76           2HG      GLU  76  10.418   8.623   2.303
  569    H    ASN  77           H        ASN  77  10.238   5.591  -0.576
  570    HA   ASN  77           HA       ASN  77  10.386   5.626  -3.543
  571    HB2  ASN  77           1HB      ASN  77  11.727   3.868  -1.446
  572    HB3  ASN  77           2HB      ASN  77  12.054   3.838  -3.174
  573   HD21  ASN  77          2HD2      ASN  77  12.323   5.890  -0.220
  574   HD22  ASN  77          1HD2      ASN  77  13.672   6.830  -0.857
  575    H    MET  78           H        MET  78   8.384   4.396  -1.166
  576    HA   MET  78           HA       MET  78   6.879   2.701  -0.910
  577    HB2  MET  78           1HB      MET  78   6.845   2.644  -3.937
  578    HB3  MET  78           2HB      MET  78   5.662   1.898  -2.855
  579    HG2  MET  78           1HG      MET  78   5.997   4.735  -2.209
  580    HG3  MET  78           2HG      MET  78   5.684   4.521  -3.919
  581    HE1  MET  78           3HE      MET  78   2.847   3.423  -0.465
  582    HE2  MET  78           1HE      MET  78   4.398   2.583  -0.673
  583    HE3  MET  78           2HE      MET  78   4.368   4.329  -0.324
  584    H    VAL  79           H        VAL  79   8.857   1.733   0.001
  585    HA   VAL  79           HA       VAL  79   9.128  -1.046  -0.993
  586    HB   VAL  79           HB       VAL  79  11.549  -1.151  -0.514
  587   HG11  VAL  79          1HG1      VAL  79  10.842  -0.911  -2.827
  588   HG12  VAL  79          2HG1      VAL  79  10.922   0.864  -2.694
  589   HG13  VAL  79          3HG1      VAL  79  12.392  -0.122  -2.538
  590   HG21  VAL  79          3HG2      VAL  79  12.921   0.894  -0.377
  591   HG22  VAL  79          1HG2      VAL  79  11.451   1.880  -0.300
  592   HG23  VAL  79          2HG2      VAL  79  11.835   0.731   1.004
  593    H    GLN  80           H        GLN  80  10.224  -2.453   0.785
  594    HA   GLN  80           HA       GLN  80   9.972  -1.314   3.499
  595    HB2  GLN  80           1HB      GLN  80   8.530  -3.058   4.306
  596    HB3  GLN  80           2HB      GLN  80   7.768  -2.292   2.923
  597    HG2  GLN  80           1HG      GLN  80   7.411  -4.390   2.175
  598    HG3  GLN  80           2HG      GLN  80   9.076  -4.382   1.663
  599   HE21  GLN  80          2HE2      GLN  80  10.682  -5.481   3.137
  600   HE22  GLN  80          1HE2      GLN  80  10.056  -6.719   4.240
  601    H    TYR  81           H        TYR  81  11.323  -2.158   5.023
  602    HA   TYR  81           HA       TYR  81  13.042  -4.491   4.435
  603    HB2  TYR  81           1HB      TYR  81  15.085  -3.022   4.854
  604    HB3  TYR  81           2HB      TYR  81  14.293  -2.902   3.312
  605    HD1  TYR  81           2HD      TYR  81  14.473  -1.146   6.649
  606    HD2  TYR  81           1HD      TYR  81  13.638  -0.832   2.429
  607    HE1  TYR  81           2HE      TYR  81  14.459   1.329   6.827
  608    HE2  TYR  81           1HE      TYR  81  13.672   1.621   2.582
  609    HH   TYR  81           HH       TYR  81  13.892   3.461   3.996
  610    H    ARG  82           H        ARG  82  14.482  -5.088   6.204
  611    HA   ARG  82           HA       ARG  82  13.282  -4.784   8.847
  612    HB2  ARG  82           1HB      ARG  82  14.382  -6.865   7.988
  613    HB3  ARG  82           2HB      ARG  82  15.942  -6.034   8.041
  614    HG2  ARG  82           1HG      ARG  82  15.708  -5.748  10.495
  615    HG3  ARG  82           2HG      ARG  82  14.105  -6.505  10.441
  616    HD2  ARG  82           1HD      ARG  82  15.101  -8.617   9.681
  617    HD3  ARG  82           2HD      ARG  82  16.701  -7.851   9.599
  618    HE   ARG  82           HE       ARG  82  15.484  -7.614  12.224
  619   HH11  ARG  82          1HH1      ARG  82  17.350  -9.872  10.236
  620   HH12  ARG  82          2HH1      ARG  82  18.038 -10.662  11.623
  621   HH21  ARG  82          1HH2      ARG  82  16.402  -8.685  13.965
  622   HH22  ARG  82          2HH2      ARG  82  17.496 -10.006  13.700
  623    H    ARG  83           H        ARG  83  14.017  -3.613  10.597
  624    HA   ARG  83           HA       ARG  83  15.170  -1.094  10.284
  625    HB2  ARG  83           1HB      ARG  83  14.998  -2.919  12.709
  626    HB3  ARG  83           2HB      ARG  83  15.665  -1.288  12.802
  627    HG2  ARG  83           1HG      ARG  83  13.565  -0.295  12.042
  628    HG3  ARG  83           2HG      ARG  83  12.865  -1.903  11.805
  629    HD2  ARG  83           1HD      ARG  83  12.090  -0.891  13.922
  630    HD3  ARG  83           2HD      ARG  83  12.964  -2.392  14.178
  631    HE   ARG  83           HE       ARG  83  14.764  -1.250  15.146
  632   HH11  ARG  83          1HH1      ARG  83  12.204   1.112  14.366
  633   HH12  ARG  83          2HH1      ARG  83  13.057   2.381  15.191
  634   HH21  ARG  83          1HH2      ARG  83  15.728   0.433  16.227
  635   HH22  ARG  83          2HH2      ARG  83  14.974   1.996  16.265
  636    H    ASN  84           H        ASN  84  16.974  -4.111  10.710
  637    HA   ASN  84           HA       ASN  84  19.405  -2.999  11.636
  638    HB2  ASN  84           1HB      ASN  84  18.669  -5.427  11.664
  639    HB3  ASN  84           2HB      ASN  84  19.089  -5.514   9.951
  640   HD21  ASN  84          2HD2      ASN  84  21.274  -6.112   9.505
  641   HD22  ASN  84          1HD2      ASN  84  22.535  -6.000  10.718
  642    H    GLU  85           H        GLU  85  18.160  -3.172   8.303
  643    HA   GLU  85           HA       GLU  85  20.317  -1.570   7.250
  644    HB2  GLU  85           1HB      GLU  85  21.299  -3.223   5.738
  645    HB3  GLU  85           2HB      GLU  85  21.558  -3.643   7.420
  646    HG2  GLU  85           1HG      GLU  85  19.376  -5.147   7.075
  647    HG3  GLU  85           2HG      GLU  85  19.808  -4.983   5.376
  648    H    HIS  86           H        HIS  86  19.483  -0.354   5.709
  649    HA   HIS  86           HA       HIS  86  16.868  -0.773   4.619
  650    HB2  HIS  86           1HB      HIS  86  17.306   1.262   3.385
  651    HB3  HIS  86           2HB      HIS  86  17.856   1.424   5.052
  652    HD2  HIS  86           2HD      HIS  86  20.420   1.915   5.454
  653    HE1  HIS  86           1HE      HIS  86  21.739   1.811   1.409
  654    HE2  HIS  86           2HE      HIS  86  22.420   2.359   3.802
  655    H    GLY  87           H        GLY  87  19.887  -1.939   3.562
  656    HA2  GLY  87           1HA      GLY  87  19.421  -2.184   0.717
  657    HA3  GLY  87           2HA      GLY  87  20.659  -3.041   1.662
  658    H    ARG  88           H        ARG  88  18.403  -4.181   3.410
  659    HA   ARG  88           HA       ARG  88  17.674  -6.477   1.678
  660    HB2  ARG  88           1HB      ARG  88  17.467  -5.975   4.672
  661    HB3  ARG  88           2HB      ARG  88  16.833  -7.421   3.888
  662    HG2  ARG  88           1HG      ARG  88  19.757  -6.587   3.707
  663    HG3  ARG  88           2HG      ARG  88  19.101  -7.677   4.937
  664    HD2  ARG  88           1HD      ARG  88  18.313  -9.200   3.154
  665    HD3  ARG  88           2HD      ARG  88  19.050  -8.157   1.928
  666    HE   ARG  88           HE       ARG  88  21.174  -8.567   3.495
  667   HH11  ARG  88          1HH1      ARG  88  18.854 -11.056   2.372
  668   HH12  ARG  88          2HH1      ARG  88  20.110 -12.259   2.308
  669   HH21  ARG  88          1HH2      ARG  88  22.677 -10.200   3.415
  670   HH22  ARG  88          2HH2      ARG  88  22.219 -11.799   2.912
  671    H    ARG  89           H        ARG  89  16.419  -4.759   0.456
  672    HA   ARG  89           HA       ARG  89  13.742  -4.281   1.645
  673    HB2  ARG  89           1HB      ARG  89  13.561  -2.287   0.288
  674    HB3  ARG  89           2HB      ARG  89  14.961  -2.257   1.351
  675    HG2  ARG  89           1HG      ARG  89  16.468  -2.744  -0.501
  676    HG3  ARG  89           2HG      ARG  89  15.086  -2.801  -1.631
  677    HD2  ARG  89           1HD      ARG  89  14.579  -0.484  -1.230
  678    HD3  ARG  89           2HD      ARG  89  15.711  -0.400   0.116
  679    HE   ARG  89           HE       ARG  89  16.375  -0.510  -2.789
  680   HH11  ARG  89          1HH1      ARG  89  17.630  -0.197   0.504
  681   HH12  ARG  89          2HH1      ARG  89  19.086   0.595  -0.023
  682   HH21  ARG  89          1HH2      ARG  89  18.322   0.407  -3.416
  683   HH22  ARG  89          2HH2      ARG  89  19.504   0.850  -2.223
  684    H    ARG  90           H        ARG  90  11.902  -4.363   0.541
  685    HA   ARG  90           HA       ARG  90  11.790  -5.753  -2.111
  686    HB2  ARG  90           1HB      ARG  90  10.040  -6.272   0.338
  687    HB3  ARG  90           2HB      ARG  90   9.793  -6.967  -1.270
  688    HG2  ARG  90           1HG      ARG  90  12.029  -8.064  -1.130
  689    HG3  ARG  90           2HG      ARG  90  12.229  -7.418   0.510
  690    HD2  ARG  90           1HD      ARG  90  10.209  -8.656   1.247
  691    HD3  ARG  90           2HD      ARG  90  10.044  -9.335  -0.391
  692    HE   ARG  90           HE       ARG  90  12.691  -9.811   0.567
  693   HH11  ARG  90          1HH1      ARG  90   9.427 -11.066   1.232
  694   HH12  ARG  90          2HH1      ARG  90  10.088 -12.613   1.715
  695   HH21  ARG  90          1HH2      ARG  90  13.398 -11.700   1.237
  696   HH22  ARG  90          2HH2      ARG  90  12.304 -12.974   1.765
  697    H    LYS  91           H        LYS  91  10.184  -5.035  -3.492
  698    HA   LYS  91           HA       LYS  91   9.211  -2.350  -3.176
  699    HB2  LYS  91           1HB      LYS  91   9.090  -4.558  -5.183
  700    HB3  LYS  91           2HB      LYS  91   7.743  -3.466  -5.256
  701    HG2  LYS  91           1HG      LYS  91  10.672  -2.667  -5.475
  702    HG3  LYS  91           2HG      LYS  91   9.546  -2.861  -6.817
  703    HD2  LYS  91           1HD      LYS  91   9.445  -0.736  -4.649
  704    HD3  LYS  91           2HD      LYS  91   9.822  -0.508  -6.350
  705    HE2  LYS  91           1HE      LYS  91   7.547  -1.012  -7.018
  706    HE3  LYS  91           2HE      LYS  91   7.123  -1.539  -5.380
  707    HZ1  LYS  91           3HZ      LYS  91   6.339   0.666  -5.702
  708    HZ2  LYS  91           1HZ      LYS  91   7.538   0.695  -4.594
  709    HZ3  LYS  91           2HZ      LYS  91   7.830   1.231  -6.127
  710    H    ILE  92           H        ILE  92   7.252  -1.471  -2.718
  711    HA   ILE  92           HA       ILE  92   4.909  -3.257  -2.322
  712    HB   ILE  92           HB       ILE  92   4.149  -2.029  -0.386
  713   HG12  ILE  92          1HG1      ILE  92   6.744  -0.494  -0.505
  714   HG13  ILE  92          2HG1      ILE  92   5.164   0.146  -0.969
  715   HG21  ILE  92          1HG2      ILE  92   5.688  -4.000  -0.084
  716   HG22  ILE  92          2HG2      ILE  92   7.029  -2.862   0.141
  717   HG23  ILE  92          3HG2      ILE  92   5.658  -2.868   1.271
  718   HD11  ILE  92          3HD1      ILE  92   5.690   0.975   1.201
  719   HD12  ILE  92          1HD1      ILE  92   4.408  -0.243   1.405
  720   HD13  ILE  92          2HD1      ILE  92   6.096  -0.637   1.810
  721    H    LYS  93           H        LYS  93   2.837  -2.040  -2.350
  722    HA   LYS  93           HA       LYS  93   2.757   0.549  -3.681
  723    HB2  LYS  93           1HB      LYS  93   1.656  -0.143  -5.714
  724    HB3  LYS  93           2HB      LYS  93   3.194  -0.987  -5.594
  725    HG2  LYS  93           1HG      LYS  93   1.989  -3.022  -4.763
  726    HG3  LYS  93           2HG      LYS  93   0.448  -2.160  -4.949
  727    HD2  LYS  93           1HD      LYS  93   0.916  -1.880  -7.381
  728    HD3  LYS  93           2HD      LYS  93   2.420  -2.807  -7.181
  729    HE2  LYS  93           1HE      LYS  93   1.081  -4.743  -6.327
  730    HE3  LYS  93           2HE      LYS  93  -0.404  -3.813  -6.575
  731    HZ1  LYS  93           3HZ      LYS  93   0.026  -5.288  -8.444
  732    HZ2  LYS  93           1HZ      LYS  93   0.120  -3.739  -8.952
  733    HZ3  LYS  93           2HZ      LYS  93   1.487  -4.612  -8.722
  734    H    ARG  94           H        ARG  94   0.504   1.287  -4.088
  735    HA   ARG  94           HA       ARG  94  -1.493   0.186  -2.148
  736    HB2  ARG  94           1HB      ARG  94  -1.197   2.943  -3.405
  737    HB3  ARG  94           2HB      ARG  94  -2.657   2.394  -2.569
  738    HG2  ARG  94           1HG      ARG  94  -1.359   1.982  -0.515
  739    HG3  ARG  94           2HG      ARG  94   0.108   2.566  -1.312
  740    HD2  ARG  94           1HD      ARG  94  -0.748   4.359   0.030
  741    HD3  ARG  94           2HD      ARG  94  -0.987   4.793  -1.649
  742    HE   ARG  94           HE       ARG  94  -3.077   3.983   0.349
  743   HH11  ARG  94          1HH1      ARG  94  -2.475   5.223  -2.931
  744   HH12  ARG  94          2HH1      ARG  94  -4.128   5.724  -3.115
  745   HH21  ARG  94          1HH2      ARG  94  -5.097   4.765   0.091
  746   HH22  ARG  94          2HH2      ARG  94  -5.609   5.431  -1.442
  747    H    ASP  95           H        ASP  95  -3.599  -0.156  -2.826
  748    HA   ASP  95           HA       ASP  95  -4.446   0.404  -5.561
  749    HB2  ASP  95           1HB      ASP  95  -3.343  -2.114  -5.188
  750    HB3  ASP  95           2HB      ASP  95  -5.056  -2.408  -4.861
  751    H    ILE  96           H        ILE  96  -6.769  -0.697  -5.797
  752    HA   ILE  96           HA       ILE  96  -8.416  -0.044  -3.376
  753    HB   ILE  96           HB       ILE  96  -8.941   0.725  -6.264
  754   HG12  ILE  96          1HG1      ILE  96  -7.173   2.143  -5.264
  755   HG13  ILE  96          2HG1      ILE  96  -8.634   3.034  -5.651
  756   HG21  ILE  96          1HG2      ILE  96 -11.072   0.349  -5.195
  757   HG22  ILE  96          2HG2      ILE  96 -10.566   1.181  -3.705
  758   HG23  ILE  96          3HG2      ILE  96 -10.841   2.093  -5.206
  759   HD11  ILE  96          3HD1      ILE  96  -7.551   3.592  -3.412
  760   HD12  ILE  96          1HD1      ILE  96  -9.286   3.201  -3.370
  761   HD13  ILE  96          2HD1      ILE  96  -8.103   1.990  -2.859
  762    H    ILE  97           H        ILE  97 -10.127  -1.284  -3.025
  763    HA   ILE  97           HA       ILE  97 -10.588  -3.699  -4.720
  764    HB   ILE  97           HB       ILE  97 -11.754  -3.035  -2.017
  765   HG12  ILE  97          1HG1      ILE  97 -10.257  -5.145  -1.460
  766   HG13  ILE  97          2HG1      ILE  97  -9.273  -4.572  -2.796
  767   HG21  ILE  97          1HG2      ILE  97 -13.220  -4.456  -3.228
  768   HG22  ILE  97          2HG2      ILE  97 -11.883  -5.531  -3.724
  769   HG23  ILE  97          3HG2      ILE  97 -12.402  -5.435  -2.020
  770   HD11  ILE  97          3HD1      ILE  97  -8.824  -3.796  -0.310
  771   HD12  ILE  97          1HD1      ILE  97  -8.654  -2.614  -1.628
  772   HD13  ILE  97          2HD1      ILE  97 -10.110  -2.630  -0.598
  773    H    ASP  98           H        ASP  98 -12.423  -4.007  -5.822
  774    HA   ASP  98           HA       ASP  98 -14.415  -1.791  -5.963
  775    HB2  ASP  98           1HB      ASP  98 -13.046  -2.416  -7.965
  776    HB3  ASP  98           2HB      ASP  98 -13.809  -4.004  -7.955
  777    H    ILE  99           H        ILE  99 -14.167  -5.034  -4.981
  778    HA   ILE  99           HA       ILE  99 -15.494  -6.432  -3.842
  779    HB   ILE  99           HB       ILE  99 -17.776  -4.476  -4.097
  780   HG12  ILE  99          1HG1      ILE  99 -15.819  -3.432  -2.977
  781   HG13  ILE  99          2HG1      ILE  99 -17.213  -3.601  -1.934
  782   HG21  ILE  99          1HG2      ILE  99 -18.593  -6.677  -3.493
  783   HG22  ILE  99          2HG2      ILE  99 -17.403  -6.804  -2.185
  784   HG23  ILE  99          3HG2      ILE  99 -18.695  -5.590  -2.109
  785   HD11  ILE  99          3HD1      ILE  99 -14.984  -4.110  -0.866
  786   HD12  ILE  99          1HD1      ILE  99 -16.190  -5.402  -0.701
  787   HD13  ILE  99          2HD1      ILE  99 -14.877  -5.558  -1.885
  788    HA   PRO 100           HA       PRO 100 -17.198  -8.622  -7.368
  789    HB2  PRO 100           1HB      PRO 100 -17.379 -11.125  -6.332
  790    HB3  PRO 100           2HB      PRO 100 -15.803 -10.335  -6.623
  791    HG2  PRO 100           1HG      PRO 100 -17.364 -10.488  -4.015
  792    HG3  PRO 100           2HG      PRO 100 -15.635 -10.881  -4.288
  793    HD2  PRO 100           1HD      PRO 100 -16.472  -8.433  -3.359
  794    HD3  PRO 100           2HD      PRO 100 -15.045  -8.610  -4.419
  795    H    LYS 101           H        LYS 101 -19.105  -9.994  -7.896
  796    HA   LYS 101           HA       LYS 101 -21.546  -8.897  -6.913
  797    HB2  LYS 101           1HB      LYS 101 -22.659 -10.521  -8.300
  798    HB3  LYS 101           2HB      LYS 101 -21.284  -9.826  -9.154
  799    HG2  LYS 101           1HG      LYS 101 -19.945 -11.898  -8.569
  800    HG3  LYS 101           2HG      LYS 101 -21.415 -12.604  -7.887
  801    HD2  LYS 101           1HD      LYS 101 -21.040 -11.711 -10.779
  802    HD3  LYS 101           2HD      LYS 101 -20.942 -13.377 -10.190
  803    HE2  LYS 101           1HE      LYS 101 -23.313 -13.240  -9.419
  804    HE3  LYS 101           2HE      LYS 101 -23.418 -11.591 -10.054
  805    HZ1  LYS 101           3HZ      LYS 101 -24.296 -13.199 -11.634
  806    HZ2  LYS 101           1HZ      LYS 101 -22.973 -12.486 -12.272
  807    HZ3  LYS 101           2HZ      LYS 101 -22.881 -14.010 -11.687
  808    H    LYS 102           H        LYS 102 -19.828 -11.817  -5.891
  809    HA   LYS 102           HA       LYS 102 -21.790 -12.904  -4.122
  810    HB2  LYS 102           1HB      LYS 102 -19.729 -14.001  -5.010
  811    HB3  LYS 102           2HB      LYS 102 -18.744 -12.993  -3.940
  812    HG2  LYS 102           1HG      LYS 102 -19.856 -14.000  -1.961
  813    HG3  LYS 102           2HG      LYS 102 -20.881 -14.978  -3.019
  814    HD2  LYS 102           1HD      LYS 102 -17.836 -15.131  -2.870
  815    HD3  LYS 102           2HD      LYS 102 -18.957 -16.216  -2.034
  816    HE2  LYS 102           1HE      LYS 102 -19.903 -16.926  -4.237
  817    HE3  LYS 102           2HE      LYS 102 -18.731 -15.892  -5.063
  818    HZ1  LYS 102           3HZ      LYS 102 -17.954 -18.179  -4.943
  819    HZ2  LYS 102           1HZ      LYS 102 -16.953 -17.226  -4.074
  820    HZ3  LYS 102           2HZ      LYS 102 -18.038 -18.186  -3.313
  821    H    GLY 103           H        GLY 103 -19.708 -10.123  -3.733
  822    HA2  GLY 103           1HA      GLY 103 -20.183  -9.770  -0.850
  823    HA3  GLY 103           2HA      GLY 103 -19.286  -8.699  -1.957
  824    H    VAL 104           H        VAL 104 -22.014  -9.090  -3.603
  825    HA   VAL 104           HA       VAL 104 -23.605  -6.999  -2.200
  826    HB   VAL 104           HB       VAL 104 -23.013  -6.885  -5.185
  827   HG11  VAL 104          1HG1      VAL 104 -25.181  -5.839  -4.482
  828   HG12  VAL 104          2HG1      VAL 104 -24.314  -4.879  -3.271
  829   HG13  VAL 104          3HG1      VAL 104 -24.017  -4.620  -5.002
  830   HG21  VAL 104          3HG2      VAL 104 -21.651  -4.864  -4.678
  831   HG22  VAL 104          1HG2      VAL 104 -21.784  -5.222  -2.943
  832   HG23  VAL 104          2HG2      VAL 104 -20.930  -6.337  -4.034
  833    H    SER 105           H        SER 105 -24.542  -9.111  -1.595
  834    HA   SER 105           HA       SER 105 -26.936  -9.760  -3.084
  835    HB2  SER 105           1HB      SER 105 -25.170 -11.039  -4.358
  836    HB3  SER 105           2HB      SER 105 -24.812 -11.930  -2.870
  837    HG   SER 105           HG       SER 105 -26.333 -13.021  -4.252
  838    H    GLY 106           H        GLY 106 -28.271 -11.332  -1.891
  839    HA2  GLY 106           1HA      GLY 106 -29.216 -12.229   0.021
  840    HA3  GLY 106           2HA      GLY 106 -27.597 -12.282   0.741
  841    HA   PRO 107           HA       PRO 107 -29.163  -7.884   1.860
  842    HB2  PRO 107           1HB      PRO 107 -31.668  -7.028   1.205
  843    HB3  PRO 107           2HB      PRO 107 -30.302  -6.979   0.048
  844    HG2  PRO 107           1HG      PRO 107 -32.436  -9.130   0.306
  845    HG3  PRO 107           2HG      PRO 107 -31.917  -8.264  -1.177
  846    HD2  PRO 107           1HD      PRO 107 -30.909 -10.704  -0.529
  847    HD3  PRO 107           2HD      PRO 107 -29.873  -9.441  -1.263
  848    H    SER 108           H        SER 108 -30.328  -7.054   3.719
  849    HA   SER 108           HA       SER 108 -31.210  -9.111   5.549
  850    HB2  SER 108           1HB      SER 108 -31.405  -7.177   7.116
  851    HB3  SER 108           2HB      SER 108 -29.827  -7.323   6.331
  852    HG   SER 108           HG       SER 108 -30.618  -5.144   6.334
  853    H    SER 109           H        SER 109 -32.985  -7.601   3.157
  854    HA   SER 109           HA       SER 109 -35.537  -7.329   4.586
  855    HB2  SER 109           1HB      SER 109 -36.384  -6.811   2.299
  856    HB3  SER 109           2HB      SER 109 -35.050  -5.776   2.826
  857    HG   SER 109           HG       SER 109 -34.804  -6.546   0.643
  858    H    GLY 110           H        GLY 110 -33.844 -10.015   3.407
  859    HA2  GLY 110           1HA      GLY 110 -35.974 -11.860   3.924
  860    HA3  GLY 110           2HA      GLY 110 -35.805 -11.654   2.182
  861   H5'1  ATP 201          H5"       ATP 111  11.796 -14.793   6.537
  862   H5'2  ATP 201          H5'       ATP 111  11.826 -13.033   6.437
  863    H4'  ATP 201           H4'      ATP 111   9.883 -14.170   7.689
  864    H3'  ATP 201           H3'      ATP 111   9.458 -15.624   5.351
  865   HO3'  ATP 201          H3T       ATP 111   7.523 -16.173   6.372
  866    H2'  ATP 201           H2'      ATP 111   8.866 -13.666   4.094
  867   HO2'  ATP 201          2HO       ATP 111   6.420 -14.699   5.188
  868    H1'  ATP 201           H1'      ATP 111   7.271 -12.833   6.535
  869    H8   ATP 201           8H       ATP 111   9.712 -10.948   4.146
  870   HN61  ATP 201          2H6       ATP 111   6.440  -7.381   2.939
  871   HN62  ATP 201          1H6       ATP 111   4.721  -7.257   3.322
  872    H2   ATP 201           2H       ATP 111   3.685 -10.188   6.232
  Start of MODEL   16
    1    HA   PRO   1           HA       PRO   1  21.967  14.903  -1.649
    2    HB2  PRO   1           1HB      PRO   1  20.033  14.608  -3.952
    3    HB3  PRO   1           2HB      PRO   1  20.433  16.054  -2.975
    4    HG2  PRO   1           1HG      PRO   1  21.628  15.184  -5.473
    5    HG3  PRO   1           2HG      PRO   1  22.141  16.581  -4.481
    6    HD2  PRO   1           1HD      PRO   1  23.728  14.348  -4.864
    7    HD3  PRO   1           2HD      PRO   1  23.794  15.387  -3.421
    8    H    SER   2           H        SER   2  19.915  14.655  -0.445
    9    HA   SER   2           HA       SER   2  19.275  11.852   0.104
   10    HB2  SER   2           1HB      SER   2  17.887  12.898   1.912
   11    HB3  SER   2           2HB      SER   2  19.607  13.314   1.953
   12    HG   SER   2           HG       SER   2  18.245  15.161   2.260
   13    H    SER   3           H        SER   3  17.939  14.144  -2.032
   14    HA   SER   3           HA       SER   3  15.772  12.344  -2.790
   15    HB2  SER   3           1HB      SER   3  13.939  13.941  -2.485
   16    HB3  SER   3           2HB      SER   3  14.649  13.472  -0.936
   17    HG   SER   3           HG       SER   3  14.271  15.749  -1.088
   18    H    GLY   4           H        GLY   4  16.955  15.727  -3.144
   19    HA2  GLY   4           1HA      GLY   4  17.698  16.864  -5.025
   20    HA3  GLY   4           2HA      GLY   4  17.584  15.354  -5.957
   21    H    SER   5           H        SER   5  14.639  16.157  -4.409
   22    HA   SER   5           HA       SER   5  13.375  17.702  -6.517
   23    HB2  SER   5           1HB      SER   5  12.000  15.849  -7.413
   24    HB3  SER   5           2HB      SER   5  13.708  15.656  -7.796
   25    HG   SER   5           HG       SER   5  13.876  14.120  -6.110
   26    H    SER   6           H        SER   6  10.901  17.585  -6.277
   27    HA   SER   6           HA       SER   6   9.720  16.713  -3.781
   28    HB2  SER   6           1HB      SER   6  10.394  19.654  -4.185
   29    HB3  SER   6           2HB      SER   6   9.065  19.125  -3.148
   30    HG   SER   6           HG       SER   6  11.635  18.011  -2.800
   31    H    GLY   7           H        GLY   7   7.419  17.267  -3.680
   32    HA2  GLY   7           1HA      GLY   7   5.340  17.906  -4.600
   33    HA3  GLY   7           2HA      GLY   7   6.108  18.250  -6.159
   34    H    PHE   8           H        PHE   8   4.062  17.104  -6.764
   35    HA   PHE   8           HA       PHE   8   3.812  14.257  -6.323
   36    HB2  PHE   8           1HB      PHE   8   2.386  16.087  -8.291
   37    HB3  PHE   8           2HB      PHE   8   1.899  14.456  -7.868
   38    HD1  PHE   8           2HD      PHE   8   1.316  13.936  -5.402
   39    HD2  PHE   8           1HD      PHE   8   1.591  17.940  -6.987
   40    HE1  PHE   8           2HE      PHE   8  -0.033  14.785  -3.498
   41    HE2  PHE   8           1HE      PHE   8   0.243  18.783  -5.081
   42    HZ   PHE   8           HZ       PHE   8  -0.570  17.209  -3.333
   43    H    LEU   9           H        LEU   9   3.815  12.596  -7.860
   44    HA   LEU   9           HA       LEU   9   5.084  12.867 -10.474
   45    HB2  LEU   9           1HB      LEU   9   7.010  12.863  -8.887
   46    HB3  LEU   9           2HB      LEU   9   6.399  11.382  -8.157
   47    HG   LEU   9           HG       LEU   9   6.806  10.160 -10.288
   48   HD11  LEU   9          1HD1      LEU   9   6.590  11.994 -11.932
   49   HD12  LEU   9          2HD1      LEU   9   8.015  12.801 -11.242
   50   HD13  LEU   9          3HD1      LEU   9   8.178  11.236 -12.067
   51   HD21  LEU   9          3HD2      LEU   9   9.262  10.161 -10.135
   52   HD22  LEU   9          1HD2      LEU   9   9.222  11.697  -9.242
   53   HD23  LEU   9          2HD2      LEU   9   8.527  10.226  -8.524
   54    H    ASP  10           H        ASP  10   4.643  11.105 -11.792
   55    HA   ASP  10           HA       ASP  10   3.148   8.758 -10.746
   56    HB2  ASP  10           1HB      ASP  10   2.139  10.751 -12.807
   57    HB3  ASP  10           2HB      ASP  10   1.470   9.135 -12.597
   58    H    LYS  11           H        LYS  11   3.358   6.946 -11.926
   59    HA   LYS  11           HA       LYS  11   5.498   6.776 -13.878
   60    HB2  LYS  11           1HB      LYS  11   3.667   4.869 -12.390
   61    HB3  LYS  11           2HB      LYS  11   4.583   4.271 -13.759
   62    HG2  LYS  11           1HG      LYS  11   6.456   5.772 -12.202
   63    HG3  LYS  11           2HG      LYS  11   5.489   4.848 -11.046
   64    HD2  LYS  11           1HD      LYS  11   5.958   2.776 -12.375
   65    HD3  LYS  11           2HD      LYS  11   6.981   3.723 -13.466
   66    HE2  LYS  11           1HE      LYS  11   7.432   3.411 -10.455
   67    HE3  LYS  11           2HE      LYS  11   8.215   2.419 -11.686
   68    HZ1  LYS  11           3HZ      LYS  11   9.651   4.229 -11.020
   69    HZ2  LYS  11           1HZ      LYS  11   9.238   4.436 -12.586
   70    HZ3  LYS  11           2HZ      LYS  11   8.542   5.356 -11.422
   71    HA   PRO  12           HA       PRO  12   3.300   6.928 -17.629
   72    HB2  PRO  12           1HB      PRO  12   4.708   5.301 -19.308
   73    HB3  PRO  12           2HB      PRO  12   5.374   6.799 -18.614
   74    HG2  PRO  12           1HG      PRO  12   5.707   3.947 -17.629
   75    HG3  PRO  12           2HG      PRO  12   6.998   5.168 -17.890
   76    HD2  PRO  12           1HD      PRO  12   5.890   4.681 -15.429
   77    HD3  PRO  12           2HD      PRO  12   6.437   6.303 -15.894
   78    H    THR  13           H        THR  13   2.355   5.626 -19.418
   79    HA   THR  13           HA       THR  13   1.190   3.033 -19.029
   80    HB   THR  13           HB       THR  13   0.020   4.258 -17.219
   81    HG1  THR  13           1HG      THR  13  -1.828   3.325 -17.742
   82   HG21  THR  13          3HG2      THR  13  -1.461   6.046 -17.626
   83   HG22  THR  13          1HG2      THR  13   0.017   6.516 -18.450
   84   HG23  THR  13          2HG2      THR  13  -1.345   5.880 -19.396
   85    H    LEU  14           H        LEU  14  -0.646   2.755 -20.537
   86    HA   LEU  14           HA       LEU  14  -0.018   3.955 -23.207
   87    HB2  LEU  14           1HB      LEU  14  -1.577   1.481 -22.367
   88    HB3  LEU  14           2HB      LEU  14  -1.208   1.917 -24.025
   89    HG   LEU  14           HG       LEU  14   1.172   1.634 -22.174
   90   HD11  LEU  14          1HD1      LEU  14  -0.271  -0.192 -21.458
   91   HD12  LEU  14          2HD1      LEU  14  -0.460  -0.743 -23.139
   92   HD13  LEU  14          3HD1      LEU  14   1.137  -0.809 -22.349
   93   HD21  LEU  14          3HD2      LEU  14   2.185   0.644 -24.163
   94   HD22  LEU  14          1HD2      LEU  14   0.629   0.683 -25.021
   95   HD23  LEU  14          2HD2      LEU  14   1.441   2.201 -24.573
   96    H    LEU  15           H        LEU  15  -2.375   3.900 -20.704
   97    HA   LEU  15           HA       LEU  15  -4.693   4.514 -22.378
   98    HB2  LEU  15           1HB      LEU  15  -4.544   4.715 -19.362
   99    HB3  LEU  15           2HB      LEU  15  -5.963   4.495 -20.371
  100    HG   LEU  15           HG       LEU  15  -3.797   2.438 -19.772
  101   HD11  LEU  15          1HD1      LEU  15  -5.473   2.858 -17.993
  102   HD12  LEU  15          2HD1      LEU  15  -6.780   2.512 -19.147
  103   HD13  LEU  15          3HD1      LEU  15  -5.636   1.235 -18.682
  104   HD21  LEU  15          3HD2      LEU  15  -5.180   0.831 -21.083
  105   HD22  LEU  15          1HD2      LEU  15  -6.186   2.182 -21.654
  106   HD23  LEU  15          2HD2      LEU  15  -4.464   2.084 -22.099
  107    H    SER  16           H        SER  16  -6.176   6.254 -21.216
  108    HA   SER  16           HA       SER  16  -4.931   8.897 -21.691
  109    HB2  SER  16           1HB      SER  16  -7.682   7.667 -21.887
  110    HB3  SER  16           2HB      SER  16  -7.502   9.382 -21.797
  111    HG   SER  16           HG       SER  16  -7.524   8.606 -23.994
  112    HA   PRO  17           HA       PRO  17  -5.388  10.270 -17.522
  113    HB2  PRO  17           1HB      PRO  17  -6.344  12.834 -17.767
  114    HB3  PRO  17           2HB      PRO  17  -4.680  12.344 -18.206
  115    HG2  PRO  17           1HG      PRO  17  -7.084  12.619 -20.047
  116    HG3  PRO  17           2HG      PRO  17  -5.428  13.278 -20.279
  117    HD2  PRO  17           1HD      PRO  17  -6.174  10.973 -21.457
  118    HD3  PRO  17           2HD      PRO  17  -4.536  11.157 -20.763
  119    H    GLU  18           H        GLU  18  -8.246  10.314 -19.562
  120    HA   GLU  18           HA       GLU  18 -10.087  10.490 -17.279
  121    HB2  GLU  18           1HB      GLU  18 -11.857  10.437 -18.942
  122    HB3  GLU  18           2HB      GLU  18 -10.652  11.670 -19.310
  123    HG2  GLU  18           1HG      GLU  18  -9.641  10.190 -21.030
  124    HG3  GLU  18           2HG      GLU  18 -10.832   8.938 -20.660
  125    H    GLU  19           H        GLU  19  -8.368   7.923 -18.722
  126    HA   GLU  19           HA       GLU  19 -10.383   5.830 -18.163
  127    HB2  GLU  19           1HB      GLU  19  -7.555   5.852 -19.252
  128    HB3  GLU  19           2HB      GLU  19  -8.320   4.371 -18.743
  129    HG2  GLU  19           1HG      GLU  19  -9.408   6.264 -20.865
  130    HG3  GLU  19           2HG      GLU  19  -8.433   4.828 -21.183
  131    H    LEU  20           H        LEU  20  -7.131   6.756 -17.142
  132    HA   LEU  20           HA       LEU  20  -6.703   4.886 -15.064
  133    HB2  LEU  20           1HB      LEU  20  -5.659   7.738 -15.286
  134    HB3  LEU  20           2HB      LEU  20  -4.890   6.448 -14.386
  135    HG   LEU  20           HG       LEU  20  -5.303   6.083 -17.376
  136   HD11  LEU  20          1HD1      LEU  20  -4.439   8.372 -16.988
  137   HD12  LEU  20          2HD1      LEU  20  -3.020   7.675 -16.176
  138   HD13  LEU  20          3HD1      LEU  20  -3.341   7.327 -17.902
  139   HD21  LEU  20          3HD2      LEU  20  -3.314   4.746 -17.225
  140   HD22  LEU  20          1HD2      LEU  20  -3.034   5.231 -15.541
  141   HD23  LEU  20          2HD2      LEU  20  -4.434   4.213 -15.961
  142    H    LYS  21           H        LYS  21  -7.817   8.266 -14.866
  143    HA   LYS  21           HA       LYS  21  -8.440   8.254 -12.054
  144    HB2  LYS  21           1HB      LYS  21  -9.252   9.964 -14.408
  145    HB3  LYS  21           2HB      LYS  21 -10.101  10.142 -12.883
  146    HG2  LYS  21           1HG      LYS  21  -8.258  11.760 -13.163
  147    HG3  LYS  21           2HG      LYS  21  -8.159  10.791 -11.692
  148    HD2  LYS  21           1HD      LYS  21  -6.337   9.460 -12.584
  149    HD3  LYS  21           2HD      LYS  21  -6.574  10.129 -14.196
  150    HE2  LYS  21           1HE      LYS  21  -4.640  11.180 -13.254
  151    HE3  LYS  21           2HE      LYS  21  -5.926  12.384 -13.371
  152    HZ1  LYS  21           3HZ      LYS  21  -4.774  12.487 -11.235
  153    HZ2  LYS  21           1HZ      LYS  21  -6.335  12.078 -10.989
  154    HZ3  LYS  21           2HZ      LYS  21  -5.161  10.938 -10.888
  155    H    ALA  22           H        ALA  22 -10.450   7.256 -14.857
  156    HA   ALA  22           HA       ALA  22 -12.854   6.900 -13.271
  157    HB1  ALA  22           1HB      ALA  22 -12.970   7.312 -15.671
  158    HB2  ALA  22           2HB      ALA  22 -12.079   5.810 -16.013
  159    HB3  ALA  22           3HB      ALA  22 -13.701   5.745 -15.292
  160    H    ALA  23           H        ALA  23 -10.231   4.652 -14.228
  161    HA   ALA  23           HA       ALA  23 -11.322   2.258 -13.180
  162    HB1  ALA  23           1HB      ALA  23  -9.262   2.465 -14.597
  163    HB2  ALA  23           2HB      ALA  23  -8.410   3.177 -13.200
  164    HB3  ALA  23           3HB      ALA  23  -8.985   1.505 -13.127
  165    H    SER  24           H        SER  24  -9.831   4.957 -11.484
  166    HA   SER  24           HA       SER  24  -9.775   3.528  -8.900
  167    HB2  SER  24           1HB      SER  24  -7.938   5.010  -9.580
  168    HB3  SER  24           2HB      SER  24  -9.051   6.388  -9.616
  169    HG   SER  24           HG       SER  24  -7.884   6.205  -7.607
  170    H    ARG  25           H        ARG  25 -11.295   6.586 -10.062
  171    HA   ARG  25           HA       ARG  25 -12.903   6.902  -7.740
  172    HB2  ARG  25           1HB      ARG  25 -12.914   8.228 -10.478
  173    HB3  ARG  25           2HB      ARG  25 -13.839   8.771  -9.105
  174    HG2  ARG  25           1HG      ARG  25 -10.813   8.704  -9.368
  175    HG3  ARG  25           2HG      ARG  25 -11.857  10.117  -9.317
  176    HD2  ARG  25           1HD      ARG  25 -11.291   8.198  -7.034
  177    HD3  ARG  25           2HD      ARG  25 -10.688   9.843  -7.225
  178    HE   ARG  25           HE       ARG  25 -13.318  10.344  -7.278
  179   HH11  ARG  25          1HH1      ARG  25 -11.516   8.359  -4.970
  180   HH12  ARG  25          2HH1      ARG  25 -12.686   8.614  -3.708
  181   HH21  ARG  25          1HH2      ARG  25 -14.783  10.620  -5.617
  182   HH22  ARG  25          2HH2      ARG  25 -14.502   9.882  -4.069
  183    H    GLY  26           H        GLY  26 -13.550   5.115 -10.660
  184    HA2  GLY  26           1HA      GLY  26 -16.443   5.095 -10.510
  185    HA3  GLY  26           2HA      GLY  26 -15.403   3.926 -11.363
  186    H    ASN  27           H        ASN  27 -13.975   3.461  -8.675
  187    HA   ASN  27           HA       ASN  27 -16.049   1.802  -7.288
  188    HB2  ASN  27           1HB      ASN  27 -13.133   1.359  -7.879
  189    HB3  ASN  27           2HB      ASN  27 -13.748   0.811  -6.329
  190   HD21  ASN  27          2HD2      ASN  27 -15.280  -0.858  -6.197
  191   HD22  ASN  27          1HD2      ASN  27 -15.624  -1.883  -7.601
  192    H    GLY  28           H        GLY  28 -12.978   3.509  -6.446
  193    HA2  GLY  28           1HA      GLY  28 -12.667   5.163  -4.781
  194    HA3  GLY  28           2HA      GLY  28 -14.304   4.868  -4.138
  195    H    GLU  29           H        GLU  29 -12.959   1.932  -4.665
  196    HA   GLU  29           HA       GLU  29 -12.232   1.238  -1.947
  197    HB2  GLU  29           1HB      GLU  29 -12.384  -0.067  -4.665
  198    HB3  GLU  29           2HB      GLU  29 -11.284  -0.753  -3.534
  199    HG2  GLU  29           1HG      GLU  29 -13.363  -1.905  -3.243
  200    HG3  GLU  29           2HG      GLU  29 -13.158  -0.873  -1.829
  201    H    TYR  30           H        TYR  30 -10.086  -0.012  -1.675
  202    HA   TYR  30           HA       TYR  30  -7.757   0.686  -3.158
  203    HB2  TYR  30           1HB      TYR  30  -6.607   2.114  -1.602
  204    HB3  TYR  30           2HB      TYR  30  -8.078   2.899  -2.115
  205    HD1  TYR  30           2HD      TYR  30 -10.185   2.611  -0.535
  206    HD2  TYR  30           1HD      TYR  30  -6.127   1.804   0.687
  207    HE1  TYR  30           2HE      TYR  30 -10.856   2.855   1.854
  208    HE2  TYR  30           1HE      TYR  30  -6.793   2.036   3.068
  209    HH   TYR  30           HH       TYR  30  -8.496   2.460   4.538
  210    H    ALA  31           H        ALA  31  -5.913  -0.401  -2.507
  211    HA   ALA  31           HA       ALA  31  -5.783  -1.869   0.047
  212    HB1  ALA  31           1HB      ALA  31  -6.928  -3.562  -1.081
  213    HB2  ALA  31           2HB      ALA  31  -6.188  -3.192  -2.654
  214    HB3  ALA  31           3HB      ALA  31  -5.254  -4.013  -1.377
  215    H    TRP  32           H        TRP  32  -3.763  -2.610   0.598
  216    HA   TRP  32           HA       TRP  32  -1.429  -1.522  -0.907
  217    HB2  TRP  32           1HB      TRP  32  -1.831  -2.494   1.944
  218    HB3  TRP  32           2HB      TRP  32  -0.247  -2.219   1.242
  219    HD1  TRP  32           HD       TRP  32  -3.367  -0.220   2.251
  220    HE1  TRP  32           1HE      TRP  32  -2.667   2.198   2.718
  221    HE3  TRP  32           3HE      TRP  32   1.541  -0.499   0.744
  222    HZ2  TRP  32           2HZ      TRP  32  -0.264   3.831   2.454
  223    HZ3  TRP  32           3HZ      TRP  32   2.954   1.539   0.792
  224    HH2  TRP  32           HH       TRP  32   2.062   3.655   1.650
  225    H    TYR  33           H        TYR  33   0.215  -2.807  -1.616
  226    HA   TYR  33           HA       TYR  33   0.093  -5.760  -1.245
  227    HB2  TYR  33           1HB      TYR  33   0.252  -4.250  -3.867
  228    HB3  TYR  33           2HB      TYR  33   0.754  -5.920  -3.714
  229    HD1  TYR  33           1HD      TYR  33  -2.200  -3.645  -3.419
  230    HD2  TYR  33           2HD      TYR  33  -0.781  -7.690  -3.920
  231    HE1  TYR  33           1HE      TYR  33  -4.512  -4.393  -3.913
  232    HE2  TYR  33           2HE      TYR  33  -3.101  -8.444  -4.401
  233    HH   TYR  33           HH       TYR  33  -5.883  -6.176  -4.429
  234    H    TYR  34           H        TYR  34   2.062  -6.866  -1.611
  235    HA   TYR  34           HA       TYR  34   4.548  -5.278  -1.987
  236    HB2  TYR  34           1HB      TYR  34   5.649  -6.341  -0.174
  237    HB3  TYR  34           2HB      TYR  34   4.206  -5.568   0.446
  238    HD1  TYR  34           1HD      TYR  34   2.165  -7.016   1.017
  239    HD2  TYR  34           2HD      TYR  34   6.042  -8.678   0.128
  240    HE1  TYR  34           1HE      TYR  34   1.488  -9.148   2.088
  241    HE2  TYR  34           2HE      TYR  34   5.373 -10.817   1.203
  242    HH   TYR  34           HH       TYR  34   2.126 -11.290   2.659
  243    H    GLU  35           H        GLU  35   6.301  -6.455  -2.930
  244    HA   GLU  35           HA       GLU  35   5.532  -8.918  -4.369
  245    HB2  GLU  35           1HB      GLU  35   8.156  -7.381  -4.307
  246    HB3  GLU  35           2HB      GLU  35   7.871  -8.888  -5.191
  247    HG2  GLU  35           1HG      GLU  35   5.856  -7.642  -6.277
  248    HG3  GLU  35           2HG      GLU  35   6.641  -6.172  -5.683
  249    H    GLY  36           H        GLY  36   5.533 -10.789  -3.398
  250    HA2  GLY  36           1HA      GLY  36   7.519 -11.453  -1.230
  251    HA3  GLY  36           2HA      GLY  36   5.881 -12.089  -1.330
  252    H    ARG  37           H        ARG  37   6.296 -14.190  -1.474
  253    HA   ARG  37           HA       ARG  37   8.464 -15.485  -2.520
  254    HB2  ARG  37           1HB      ARG  37   7.054 -17.548  -2.449
  255    HB3  ARG  37           2HB      ARG  37   7.032 -16.573  -0.980
  256    HG2  ARG  37           1HG      ARG  37   4.823 -15.709  -1.473
  257    HG3  ARG  37           2HG      ARG  37   4.835 -16.423  -3.089
  258    HD2  ARG  37           1HD      ARG  37   4.872 -18.694  -2.099
  259    HD3  ARG  37           2HD      ARG  37   4.897 -17.983  -0.482
  260    HE   ARG  37           HE       ARG  37   2.651 -17.470  -0.629
  261   HH11  ARG  37          1HH1      ARG  37   3.685 -18.452  -3.882
  262   HH12  ARG  37          2HH1      ARG  37   2.041 -18.561  -4.449
  263   HH21  ARG  37          1HH2      ARG  37   0.583 -17.568  -1.460
  264   HH22  ARG  37          2HH2      ARG  37   0.323 -18.014  -3.118
  265    H    ASN  38           H        ASN  38   5.658 -14.616  -4.466
  266    HA   ASN  38           HA       ASN  38   6.967 -15.708  -6.894
  267    HB2  ASN  38           1HB      ASN  38   4.143 -16.425  -6.025
  268    HB3  ASN  38           2HB      ASN  38   4.822 -16.782  -7.605
  269   HD21  ASN  38          2HD2      ASN  38   6.581 -18.389  -7.735
  270   HD22  ASN  38          1HD2      ASN  38   6.705 -19.562  -6.433
  271    H    GLY  39           H        GLY  39   5.257 -13.139  -5.513
  272    HA2  GLY  39           1HA      GLY  39   5.328 -11.340  -7.620
  273    HA3  GLY  39           2HA      GLY  39   3.801 -12.177  -7.836
  274    H    TRP  40           H        TRP  40   2.834 -10.039  -7.447
  275    HA   TRP  40           HA       TRP  40   2.988  -8.712  -4.924
  276    HB2  TRP  40           1HB      TRP  40   0.858  -8.673  -7.091
  277    HB3  TRP  40           2HB      TRP  40   0.957  -7.550  -5.743
  278    HD1  TRP  40           HD       TRP  40   2.228  -8.080  -9.192
  279    HE1  TRP  40           1HE      TRP  40   3.918  -6.277  -9.846
  280    HE3  TRP  40           3HE      TRP  40   3.013  -6.015  -4.581
  281    HZ2  TRP  40           2HZ      TRP  40   5.331  -4.092  -8.550
  282    HZ3  TRP  40           3HZ      TRP  40   4.533  -4.083  -4.318
  283    HH2  TRP  40           HH       TRP  40   5.671  -3.086  -6.283
  284    H    TRP  41           H        TRP  41   2.067  -9.105  -3.050
  285    HA   TRP  41           HA       TRP  41  -0.415 -10.758  -2.835
  286    HB2  TRP  41           1HB      TRP  41   2.033 -10.796  -1.022
  287    HB3  TRP  41           2HB      TRP  41   0.523 -11.657  -0.722
  288    HD1  TRP  41           HD       TRP  41   3.804 -12.322  -1.984
  289    HE1  TRP  41           1HE      TRP  41   3.918 -14.325  -3.601
  290    HE3  TRP  41           3HE      TRP  41  -1.191 -12.905  -2.899
  291    HZ2  TRP  41           2HZ      TRP  41   2.094 -15.803  -5.264
  292    HZ3  TRP  41           3HZ      TRP  41  -1.978 -14.556  -4.536
  293    HH2  TRP  41           HH       TRP  41  -0.356 -16.028  -5.740
  294    H    GLN  42           H        GLN  42  -1.931 -10.047  -1.358
  295    HA   GLN  42           HA       GLN  42  -1.828  -7.185  -0.809
  296    HB2  GLN  42           1HB      GLN  42  -3.823  -8.526  -1.689
  297    HB3  GLN  42           2HB      GLN  42  -4.014  -9.155  -0.047
  298    HG2  GLN  42           1HG      GLN  42  -4.215  -6.772   0.765
  299    HG3  GLN  42           2HG      GLN  42  -4.120  -6.222  -0.907
  300   HE21  GLN  42          2HE2      GLN  42  -6.343  -5.809   1.011
  301   HE22  GLN  42          1HE2      GLN  42  -7.735  -6.580   0.267
  302    H    TYR  43           H        TYR  43  -1.749  -6.151   1.163
  303    HA   TYR  43           HA       TYR  43  -0.643  -7.505   3.479
  304    HB2  TYR  43           1HB      TYR  43  -1.627  -4.724   2.847
  305    HB3  TYR  43           2HB      TYR  43  -1.314  -5.177   4.511
  306    HD1  TYR  43           1HD      TYR  43   0.916  -5.679   5.344
  307    HD2  TYR  43           2HD      TYR  43   0.261  -4.510   1.260
  308    HE1  TYR  43           1HE      TYR  43   3.316  -5.077   5.135
  309    HE2  TYR  43           2HE      TYR  43   2.650  -3.863   1.045
  310    HH   TYR  43           HH       TYR  43   4.693  -3.811   2.077
  311    H    ASP  44           H        ASP  44  -1.525  -7.538   5.594
  312    HA   ASP  44           HA       ASP  44  -4.283  -8.441   5.823
  313    HB2  ASP  44           1HB      ASP  44  -2.428  -9.419   7.105
  314    HB3  ASP  44           2HB      ASP  44  -2.135  -7.870   7.903
  315    H    GLU  45           H        GLU  45  -5.868  -7.491   7.301
  316    HA   GLU  45           HA       GLU  45  -6.299  -4.696   6.702
  317    HB2  GLU  45           1HB      GLU  45  -8.386  -5.054   8.048
  318    HB3  GLU  45           2HB      GLU  45  -8.186  -6.131   6.667
  319    HG2  GLU  45           1HG      GLU  45  -7.591  -7.998   8.077
  320    HG3  GLU  45           2HG      GLU  45  -7.422  -6.962   9.491
  321    H    ARG  46           H        ARG  46  -4.825  -6.340   9.416
  322    HA   ARG  46           HA       ARG  46  -5.080  -3.952  11.158
  323    HB2  ARG  46           1HB      ARG  46  -3.572  -6.489  11.785
  324    HB3  ARG  46           2HB      ARG  46  -4.196  -5.278  12.896
  325    HG2  ARG  46           1HG      ARG  46  -5.760  -7.398  11.394
  326    HG3  ARG  46           2HG      ARG  46  -5.618  -7.157  13.131
  327    HD2  ARG  46           1HD      ARG  46  -6.940  -5.019  12.895
  328    HD3  ARG  46           2HD      ARG  46  -7.073  -5.345  11.158
  329    HE   ARG  46           HE       ARG  46  -8.726  -6.842  11.490
  330   HH11  ARG  46          1HH1      ARG  46  -7.273  -6.381  14.699
  331   HH12  ARG  46          2HH1      ARG  46  -8.542  -7.284  15.474
  332   HH21  ARG  46          1HH2      ARG  46 -10.248  -7.952  12.503
  333   HH22  ARG  46          2HH2      ARG  46 -10.227  -8.185  14.234
  334    H    THR  47           H        THR  47  -2.953  -5.129   8.786
  335    HA   THR  47           HA       THR  47  -0.609  -3.645   9.841
  336    HB   THR  47           HB       THR  47  -0.793  -5.520   7.453
  337    HG1  THR  47           1HG      THR  47   0.305  -6.899   8.945
  338   HG21  THR  47          3HG2      THR  47   1.709  -5.509   7.701
  339   HG22  THR  47          1HG2      THR  47   1.071  -3.918   7.242
  340   HG23  THR  47          2HG2      THR  47   1.549  -4.220   8.920
  341    H    SER  48           H        SER  48  -2.500  -3.897   6.777
  342    HA   SER  48           HA       SER  48  -1.304  -1.674   5.480
  343    HB2  SER  48           1HB      SER  48  -3.317  -1.652   4.057
  344    HB3  SER  48           2HB      SER  48  -2.621  -3.260   4.237
  345    HG   SER  48           HG       SER  48  -4.289  -3.858   5.565
  346    H    ARG  49           H        ARG  49  -3.872  -1.702   7.892
  347    HA   ARG  49           HA       ARG  49  -4.741   0.984   7.589
  348    HB2  ARG  49           1HB      ARG  49  -5.787   0.716   9.723
  349    HB3  ARG  49           2HB      ARG  49  -5.910  -0.791   8.825
  350    HG2  ARG  49           1HG      ARG  49  -5.327  -1.643  10.869
  351    HG3  ARG  49           2HG      ARG  49  -3.733  -1.467  10.163
  352    HD2  ARG  49           1HD      ARG  49  -3.591  -0.681  12.400
  353    HD3  ARG  49           2HD      ARG  49  -3.538   0.756  11.383
  354    HE   ARG  49           HE       ARG  49  -6.239   0.163  12.197
  355   HH11  ARG  49          1HH1      ARG  49  -3.222   1.566  13.429
  356   HH12  ARG  49          2HH1      ARG  49  -4.067   2.588  14.565
  357   HH21  ARG  49          1HH2      ARG  49  -7.256   1.507  13.688
  358   HH22  ARG  49          2HH2      ARG  49  -6.313   2.544  14.716
  359    H    GLU  50           H        GLU  50  -1.750  -0.255   8.981
  360    HA   GLU  50           HA       GLU  50  -1.151   2.193  10.500
  361    HB2  GLU  50           1HB      GLU  50   0.693  -0.048   9.576
  362    HB3  GLU  50           2HB      GLU  50   1.100   1.209  10.732
  363    HG2  GLU  50           1HG      GLU  50  -1.138  -0.822  11.191
  364    HG3  GLU  50           2HG      GLU  50   0.525  -1.059  11.696
  365    H    LEU  51           H        LEU  51  -0.443   0.839   7.311
  366    HA   LEU  51           HA       LEU  51   1.409   2.873   6.418
  367    HB2  LEU  51           1HB      LEU  51  -0.294   0.987   4.741
  368    HB3  LEU  51           2HB      LEU  51   1.241   1.726   4.303
  369    HG   LEU  51           HG       LEU  51   0.857  -0.424   6.440
  370   HD11  LEU  51          1HD1      LEU  51   0.459  -1.212   4.142
  371   HD12  LEU  51          2HD1      LEU  51   2.070  -0.625   3.664
  372   HD13  LEU  51          3HD1      LEU  51   1.906  -1.928   4.866
  373   HD21  LEU  51          3HD2      LEU  51   3.356  -0.544   6.373
  374   HD22  LEU  51          1HD2      LEU  51   3.367   0.915   5.355
  375   HD23  LEU  51          2HD2      LEU  51   2.760   0.985   7.023
  376    H    GLU  52           H        GLU  52  -2.047   2.257   5.930
  377    HA   GLU  52           HA       GLU  52  -2.843   4.518   4.444
  378    HB2  GLU  52           1HB      GLU  52  -4.227   2.517   5.083
  379    HB3  GLU  52           2HB      GLU  52  -4.280   3.125   6.737
  380    HG2  GLU  52           1HG      GLU  52  -5.382   5.253   5.724
  381    HG3  GLU  52           2HG      GLU  52  -5.597   4.284   4.269
  382    H    ASP  53           H        ASP  53  -2.115   4.279   7.966
  383    HA   ASP  53           HA       ASP  53  -3.323   6.861   8.573
  384    HB2  ASP  53           1HB      ASP  53  -3.170   4.829  10.087
  385    HB3  ASP  53           2HB      ASP  53  -1.456   5.146  10.261
  386    H    ALA  54           H        ALA  54  -0.102   5.574   8.135
  387    HA   ALA  54           HA       ALA  54   1.446   7.760   9.045
  388    HB1  ALA  54           1HB      ALA  54   2.342   5.567   8.820
  389    HB2  ALA  54           2HB      ALA  54   2.001   5.515   7.074
  390    HB3  ALA  54           3HB      ALA  54   3.259   6.608   7.698
  391    H    PHE  55           H        PHE  55   0.571   7.049   5.600
  392    HA   PHE  55           HA       PHE  55   1.830   9.465   4.652
  393    HB2  PHE  55           1HB      PHE  55   1.269   8.763   2.588
  394    HB3  PHE  55           2HB      PHE  55   1.005   7.235   3.409
  395    HD1  PHE  55           2HD      PHE  55  -1.349   6.528   3.997
  396    HD2  PHE  55           1HD      PHE  55  -0.508   9.953   1.539
  397    HE1  PHE  55           2HE      PHE  55  -3.735   6.598   3.289
  398    HE2  PHE  55           1HE      PHE  55  -2.881  10.000   0.783
  399    HZ   PHE  55           HZ       PHE  55  -4.504   8.341   1.680
  400    H    SER  56           H        SER  56  -1.225   8.818   6.091
  401    HA   SER  56           HA       SER  56  -2.539  11.313   5.313
  402    HB2  SER  56           1HB      SER  56  -3.596   9.033   5.968
  403    HB3  SER  56           2HB      SER  56  -3.335   9.546   7.638
  404    HG   SER  56           HG       SER  56  -5.425  10.147   6.831
  405    H    LYS  57           H        LYS  57  -0.553  10.231   8.066
  406    HA   LYS  57           HA       LYS  57  -0.978  12.581   9.743
  407    HB2  LYS  57           1HB      LYS  57   1.043  10.321   9.632
  408    HB3  LYS  57           2HB      LYS  57   1.222  11.658  10.769
  409    HG2  LYS  57           1HG      LYS  57  -0.641  11.066  12.032
  410    HG3  LYS  57           2HG      LYS  57  -1.400  10.163  10.718
  411    HD2  LYS  57           1HD      LYS  57  -0.501   8.665  12.488
  412    HD3  LYS  57           2HD      LYS  57   0.166   8.367  10.892
  413    HE2  LYS  57           1HE      LYS  57   2.077   8.221  12.137
  414    HE3  LYS  57           2HE      LYS  57   2.151   9.908  11.655
  415    HZ1  LYS  57           3HZ      LYS  57   2.550   9.698  14.040
  416    HZ2  LYS  57           1HZ      LYS  57   1.157  10.516  13.810
  417    HZ3  LYS  57           2HZ      LYS  57   1.119   8.948  14.272
  418    H    GLY  58           H        GLY  58   1.544  11.577   7.421
  419    HA2  GLY  58           1HA      GLY  58   2.412  13.423   5.964
  420    HA3  GLY  58           2HA      GLY  58   2.714  14.349   7.454
  421    H    LYS  59           H        LYS  59   3.460  11.238   8.355
  422    HA   LYS  59           HA       LYS  59   6.299  11.659   8.062
  423    HB2  LYS  59           1HB      LYS  59   6.455   9.269   8.899
  424    HB3  LYS  59           2HB      LYS  59   5.707  10.438   9.969
  425    HG2  LYS  59           1HG      LYS  59   3.520   9.607   9.603
  426    HG3  LYS  59           2HG      LYS  59   4.034   8.701   8.171
  427    HD2  LYS  59           1HD      LYS  59   3.615   7.266  10.162
  428    HD3  LYS  59           2HD      LYS  59   5.210   7.105   9.469
  429    HE2  LYS  59           1HE      LYS  59   6.148   8.572  11.258
  430    HE3  LYS  59           2HE      LYS  59   4.542   8.691  11.983
  431    HZ1  LYS  59           3HZ      LYS  59   5.847   6.958  13.053
  432    HZ2  LYS  59           1HZ      LYS  59   4.610   6.235  12.261
  433    HZ3  LYS  59           2HZ      LYS  59   6.115   6.193  11.634
  434    H    LYS  60           H        LYS  60   7.781  10.360   6.976
  435    HA   LYS  60           HA       LYS  60   6.896   9.684   4.216
  436    HB2  LYS  60           1HB      LYS  60   9.022  10.306   3.496
  437    HB3  LYS  60           2HB      LYS  60   8.578  11.496   4.704
  438    HG2  LYS  60           1HG      LYS  60  10.023  10.258   6.358
  439    HG3  LYS  60           2HG      LYS  60  10.535   9.192   5.029
  440    HD2  LYS  60           1HD      LYS  60  11.396  11.152   3.783
  441    HD3  LYS  60           2HD      LYS  60  10.892  12.220   5.112
  442    HE2  LYS  60           1HE      LYS  60  12.392  10.979   6.668
  443    HE3  LYS  60           2HE      LYS  60  12.904   9.930   5.338
  444    HZ1  LYS  60           3HZ      LYS  60  14.480  11.734   5.702
  445    HZ2  LYS  60           1HZ      LYS  60  13.804  11.898   4.224
  446    HZ3  LYS  60           2HZ      LYS  60  13.330  12.866   5.454
  447    H    ASN  61           H        ASN  61   7.435   7.986   6.979
  448    HA   ASN  61           HA       ASN  61   7.471   5.458   5.732
  449    HB2  ASN  61           1HB      ASN  61   9.611   4.547   6.437
  450    HB3  ASN  61           2HB      ASN  61   9.912   5.915   5.381
  451   HD21  ASN  61          2HD2      ASN  61  10.471   7.972   6.413
  452   HD22  ASN  61          1HD2      ASN  61  11.319   7.978   7.952
  453    H    THR  62           H        THR  62   7.298   3.743   7.277
  454    HA   THR  62           HA       THR  62   6.876   4.404  10.118
  455    HB   THR  62           HB       THR  62   4.790   5.069   8.833
  456    HG1  THR  62           1HG      THR  62   3.543   4.048  10.542
  457   HG21  THR  62          3HG2      THR  62   3.177   3.291   8.331
  458   HG22  THR  62          1HG2      THR  62   4.632   3.054   7.349
  459   HG23  THR  62          2HG2      THR  62   4.345   2.036   8.776
  460    H    GLU  63           H        GLU  63   5.809   2.337  11.193
  461    HA   GLU  63           HA       GLU  63   7.597   0.055  10.429
  462    HB2  GLU  63           1HB      GLU  63   7.095   1.387  13.118
  463    HB3  GLU  63           2HB      GLU  63   7.835  -0.207  12.946
  464    HG2  GLU  63           1HG      GLU  63   9.637   0.711  11.584
  465    HG3  GLU  63           2HG      GLU  63   8.922   2.319  11.635
  466    H    MET  64           H        MET  64   6.916  -1.956  10.759
  467    HA   MET  64           HA       MET  64   4.266  -2.560  11.933
  468    HB2  MET  64           1HB      MET  64   3.633  -3.767   9.811
  469    HB3  MET  64           2HB      MET  64   3.606  -2.007   9.717
  470    HG2  MET  64           1HG      MET  64   5.743  -1.979   8.542
  471    HG3  MET  64           2HG      MET  64   5.948  -3.713   8.793
  472    HE1  MET  64           3HE      MET  64   5.713  -3.730   5.033
  473    HE2  MET  64           1HE      MET  64   6.750  -3.139   6.341
  474    HE3  MET  64           2HE      MET  64   6.130  -4.814   6.362
  475    H    LEU  65           H        LEU  65   3.908  -4.666  12.434
  476    HA   LEU  65           HA       LEU  65   6.278  -6.442  12.564
  477    HB2  LEU  65           1HB      LEU  65   4.591  -5.500  14.578
  478    HB3  LEU  65           2HB      LEU  65   3.853  -7.035  14.205
  479    HG   LEU  65           HG       LEU  65   5.357  -7.232  16.055
  480   HD11  LEU  65          1HD1      LEU  65   5.254  -9.192  14.565
  481   HD12  LEU  65          2HD1      LEU  65   6.722  -8.616  13.737
  482   HD13  LEU  65          3HD1      LEU  65   6.786  -9.063  15.443
  483   HD21  LEU  65          3HD2      LEU  65   7.721  -6.726  15.976
  484   HD22  LEU  65          1HD2      LEU  65   7.626  -6.330  14.248
  485   HD23  LEU  65          2HD2      LEU  65   6.793  -5.305  15.437
  486    H    ILE  66           H        ILE  66   6.183  -8.474  11.904
  487    HA   ILE  66           HA       ILE  66   3.747  -9.462  10.423
  488    HB   ILE  66           HB       ILE  66   5.098 -10.349   8.698
  489   HG12  ILE  66          1HG1      ILE  66   7.646  -9.021   9.204
  490   HG13  ILE  66          2HG1      ILE  66   7.294 -10.093  10.534
  491   HG21  ILE  66          1HG2      ILE  66   4.250  -8.019   8.562
  492   HG22  ILE  66          2HG2      ILE  66   5.839  -7.428   9.093
  493   HG23  ILE  66          3HG2      ILE  66   5.677  -8.336   7.574
  494   HD11  ILE  66          3HD1      ILE  66   8.585 -11.103   8.577
  495   HD12  ILE  66          1HD1      ILE  66   7.202 -12.027   9.164
  496   HD13  ILE  66          2HD1      ILE  66   7.056 -11.074   7.680
  497    H    ALA  67           H        ALA  67   5.068 -11.980   9.720
  498    HA   ALA  67           HA       ALA  67   4.200 -13.648  11.791
  499    HB1  ALA  67           1HB      ALA  67   4.502 -14.246   9.383
  500    HB2  ALA  67           2HB      ALA  67   6.270 -14.154   9.594
  501    HB3  ALA  67           3HB      ALA  67   5.335 -15.395  10.452
  502    H    GLY  68           H        GLY  68   7.241 -11.970  11.691
  503    HA2  GLY  68           1HA      GLY  68   7.998 -12.826  14.302
  504    HA3  GLY  68           2HA      GLY  68   8.919 -13.755  13.136
  505    H    PHE  69           H        PHE  69   8.197 -10.445  12.190
  506    HA   PHE  69           HA       PHE  69  10.882  -9.475  12.956
  507    HB2  PHE  69           1HB      PHE  69   9.983  -9.864  10.067
  508    HB3  PHE  69           2HB      PHE  69  11.411  -8.989  10.562
  509    HD1  PHE  69           2HD      PHE  69  13.296 -10.201  11.755
  510    HD2  PHE  69           1HD      PHE  69  10.034 -12.291   9.849
  511    HE1  PHE  69           2HE      PHE  69  14.672 -12.266  11.648
  512    HE2  PHE  69           1HE      PHE  69  11.412 -14.348   9.753
  513    HZ   PHE  69           HZ       PHE  69  13.734 -14.341  10.646
  514    H    LEU  70           H        LEU  70  11.221  -7.272  12.596
  515    HA   LEU  70           HA       LEU  70   8.795  -5.577  12.264
  516    HB2  LEU  70           1HB      LEU  70  10.461  -5.355  14.245
  517    HB3  LEU  70           2HB      LEU  70  11.602  -4.754  13.057
  518    HG   LEU  70           HG       LEU  70  10.704  -2.923  14.248
  519   HD11  LEU  70          1HD1      LEU  70  10.934  -2.634  11.711
  520   HD12  LEU  70          2HD1      LEU  70   9.153  -2.717  11.667
  521   HD13  LEU  70          3HD1      LEU  70   9.957  -1.449  12.589
  522   HD21  LEU  70          3HD2      LEU  70   8.299  -2.342  14.305
  523   HD22  LEU  70          1HD2      LEU  70   7.912  -3.886  13.516
  524   HD23  LEU  70          2HD2      LEU  70   8.662  -3.868  15.129
  525    H    TYR  71           H        TYR  71   8.458  -4.683  10.388
  526    HA   TYR  71           HA       TYR  71  10.699  -4.197   8.465
  527    HB2  TYR  71           1HB      TYR  71   7.812  -4.848   7.884
  528    HB3  TYR  71           2HB      TYR  71   8.959  -4.293   6.670
  529    HD1  TYR  71           2HD      TYR  71  11.412  -5.960   7.533
  530    HD2  TYR  71           1HD      TYR  71   7.251  -6.961   6.957
  531    HE1  TYR  71           2HE      TYR  71  12.018  -8.329   7.112
  532    HE2  TYR  71           1HE      TYR  71   7.860  -9.317   6.624
  533    HH   TYR  71           HH       TYR  71   9.622 -10.870   6.437
  534    H    VAL  72           H        VAL  72  11.062  -2.248   7.830
  535    HA   VAL  72           HA       VAL  72   9.373   0.031   8.691
  536    HB   VAL  72           HB       VAL  72  12.048   0.064   7.243
  537   HG11  VAL  72          1HG1      VAL  72  10.734   2.158   6.987
  538   HG12  VAL  72          2HG1      VAL  72  10.550   2.252   8.755
  539   HG13  VAL  72          3HG1      VAL  72  12.154   2.415   8.013
  540   HG21  VAL  72          3HG2      VAL  72  13.063   0.656   9.424
  541   HG22  VAL  72          1HG2      VAL  72  11.516   0.310  10.226
  542   HG23  VAL  72          2HG2      VAL  72  12.415  -0.986   9.405
  543    H    ALA  73           H        ALA  73   7.901   0.773   7.259
  544    HA   ALA  73           HA       ALA  73   8.056   0.050   4.356
  545    HB1  ALA  73           1HB      ALA  73   6.043  -0.712   5.558
  546    HB2  ALA  73           2HB      ALA  73   5.733   0.952   6.106
  547    HB3  ALA  73           3HB      ALA  73   5.635   0.545   4.375
  548    H    ASP  74           H        ASP  74   8.699   1.590   3.017
  549    HA   ASP  74           HA       ASP  74   8.880   4.413   3.920
  550    HB2  ASP  74           1HB      ASP  74  10.958   3.210   3.392
  551    HB3  ASP  74           2HB      ASP  74  10.367   2.865   1.768
  552    H    LEU  75           H        LEU  75   7.494   5.835   3.117
  553    HA   LEU  75           HA       LEU  75   5.647   5.201   0.968
  554    HB2  LEU  75           1HB      LEU  75   6.078   7.528   2.884
  555    HB3  LEU  75           2HB      LEU  75   4.892   7.642   1.607
  556    HG   LEU  75           HG       LEU  75   4.762   5.265   3.494
  557   HD11  LEU  75          1HD1      LEU  75   4.789   7.210   4.991
  558   HD12  LEU  75          2HD1      LEU  75   3.581   8.036   3.979
  559   HD13  LEU  75          3HD1      LEU  75   3.145   6.560   4.864
  560   HD21  LEU  75          3HD2      LEU  75   2.399   5.415   2.858
  561   HD22  LEU  75          1HD2      LEU  75   2.743   6.827   1.837
  562   HD23  LEU  75          2HD2      LEU  75   3.460   5.257   1.431
  563    H    GLU  76           H        GLU  76   8.729   6.725   0.985
  564    HA   GLU  76           HA       GLU  76   8.146   8.631  -1.174
  565    HB2  GLU  76           1HB      GLU  76  10.742   7.814   0.197
  566    HB3  GLU  76           2HB      GLU  76  10.587   9.085  -1.001
  567    HG2  GLU  76           1HG      GLU  76   9.178   9.014   1.703
  568    HG3  GLU  76           2HG      GLU  76  10.645   9.916   1.364
  569    H    ASN  77           H        ASN  77  10.148   5.701  -0.793
  570    HA   ASN  77           HA       ASN  77  10.631   5.491  -3.712
  571    HB2  ASN  77           1HB      ASN  77  11.637   3.850  -1.349
  572    HB3  ASN  77           2HB      ASN  77  12.197   3.713  -3.014
  573   HD21  ASN  77          2HD2      ASN  77  12.240   5.738  -0.096
  574   HD22  ASN  77          1HD2      ASN  77  13.607   6.724  -0.615
  575    H    MET  78           H        MET  78   8.378   4.408  -1.462
  576    HA   MET  78           HA       MET  78   6.865   2.706  -1.231
  577    HB2  MET  78           1HB      MET  78   7.046   2.534  -4.249
  578    HB3  MET  78           2HB      MET  78   5.820   1.764  -3.236
  579    HG2  MET  78           1HG      MET  78   6.052   4.694  -2.802
  580    HG3  MET  78           2HG      MET  78   5.628   4.230  -4.436
  581    HE1  MET  78           3HE      MET  78   3.030   3.616  -0.690
  582    HE2  MET  78           1HE      MET  78   4.640   2.876  -0.788
  583    HE3  MET  78           2HE      MET  78   4.465   4.650  -0.830
  584    H    VAL  79           H        VAL  79   8.829   1.755  -0.170
  585    HA   VAL  79           HA       VAL  79   9.069  -1.056  -1.076
  586    HB   VAL  79           HB       VAL  79  11.467  -1.214  -0.595
  587   HG11  VAL  79          1HG1      VAL  79  10.790  -0.908  -2.926
  588   HG12  VAL  79          2HG1      VAL  79  10.948   0.859  -2.751
  589   HG13  VAL  79          3HG1      VAL  79  12.368  -0.190  -2.599
  590   HG21  VAL  79          3HG2      VAL  79  12.895   0.780  -0.391
  591   HG22  VAL  79          1HG2      VAL  79  11.452   1.815  -0.332
  592   HG23  VAL  79          2HG2      VAL  79  11.773   0.638   0.960
  593    H    GLN  80           H        GLN  80  10.015  -2.465   0.654
  594    HA   GLN  80           HA       GLN  80   9.732  -1.387   3.408
  595    HB2  GLN  80           1HB      GLN  80   8.820  -3.566   4.110
  596    HB3  GLN  80           2HB      GLN  80   7.741  -2.752   2.975
  597    HG2  GLN  80           1HG      GLN  80   8.366  -4.208   1.162
  598    HG3  GLN  80           2HG      GLN  80   9.758  -4.842   2.030
  599   HE21  GLN  80          2HE2      GLN  80   9.263  -6.068   4.144
  600   HE22  GLN  80          1HE2      GLN  80   7.940  -7.202   3.919
  601    H    TYR  81           H        TYR  81  11.189  -2.309   4.952
  602    HA   TYR  81           HA       TYR  81  13.062  -4.426   4.230
  603    HB2  TYR  81           1HB      TYR  81  15.087  -2.922   4.694
  604    HB3  TYR  81           2HB      TYR  81  14.321  -2.843   3.142
  605    HD1  TYR  81           2HD      TYR  81  14.427  -1.032   6.441
  606    HD2  TYR  81           1HD      TYR  81  13.655  -0.812   2.207
  607    HE1  TYR  81           2HE      TYR  81  14.355   1.444   6.581
  608    HE2  TYR  81           1HE      TYR  81  13.658   1.640   2.308
  609    HH   TYR  81           HH       TYR  81  13.823   3.513   3.690
  610    H    ARG  82           H        ARG  82  14.581  -4.982   5.976
  611    HA   ARG  82           HA       ARG  82  13.446  -4.708   8.667
  612    HB2  ARG  82           1HB      ARG  82  16.039  -5.937   7.633
  613    HB3  ARG  82           2HB      ARG  82  15.578  -5.892   9.340
  614    HG2  ARG  82           1HG      ARG  82  13.475  -7.123   8.800
  615    HG3  ARG  82           2HG      ARG  82  14.032  -7.277   7.116
  616    HD2  ARG  82           1HD      ARG  82  15.987  -8.568   7.841
  617    HD3  ARG  82           2HD      ARG  82  15.596  -8.261   9.535
  618    HE   ARG  82           HE       ARG  82  14.065  -9.940   9.541
  619   HH11  ARG  82          1HH1      ARG  82  14.736  -9.352   6.103
  620   HH12  ARG  82          2HH1      ARG  82  13.944 -10.844   5.637
  621   HH21  ARG  82          1HH2      ARG  82  13.179 -11.859   8.843
  622   HH22  ARG  82          2HH2      ARG  82  13.306 -12.295   7.153
  623    H    ARG  83           H        ARG  83  14.359  -3.609  10.427
  624    HA   ARG  83           HA       ARG  83  15.279  -0.986   9.996
  625    HB2  ARG  83           1HB      ARG  83  15.349  -2.783  12.445
  626    HB3  ARG  83           2HB      ARG  83  15.924  -1.113  12.484
  627    HG2  ARG  83           1HG      ARG  83  13.737  -0.255  11.825
  628    HG3  ARG  83           2HG      ARG  83  13.116  -1.900  11.634
  629    HD2  ARG  83           1HD      ARG  83  12.396  -0.909  13.785
  630    HD3  ARG  83           2HD      ARG  83  13.348  -2.366  13.996
  631    HE   ARG  83           HE       ARG  83  15.163  -1.137  14.842
  632   HH11  ARG  83          1HH1      ARG  83  12.396   1.058  14.330
  633   HH12  ARG  83          2HH1      ARG  83  13.227   2.367  15.116
  634   HH21  ARG  83          1HH2      ARG  83  16.095   0.583  15.888
  635   HH22  ARG  83          2HH2      ARG  83  15.244   2.090  16.027
  636    H    ASN  84           H        ASN  84  17.301  -3.877  10.266
  637    HA   ASN  84           HA       ASN  84  19.656  -2.606  11.184
  638    HB2  ASN  84           1HB      ASN  84  19.117  -5.082  11.173
  639    HB3  ASN  84           2HB      ASN  84  19.519  -5.106   9.453
  640   HD21  ASN  84          2HD2      ASN  84  21.745  -5.492   8.956
  641   HD22  ASN  84          1HD2      ASN  84  23.007  -5.317  10.160
  642    H    GLU  85           H        GLU  85  18.413  -2.863   7.865
  643    HA   GLU  85           HA       GLU  85  20.352  -0.993   6.832
  644    HB2  GLU  85           1HB      GLU  85  21.484  -2.466   5.251
  645    HB3  GLU  85           2HB      GLU  85  21.809  -2.937   6.908
  646    HG2  GLU  85           1HG      GLU  85  19.757  -4.631   6.466
  647    HG3  GLU  85           2HG      GLU  85  20.238  -4.372   4.788
  648    H    HIS  86           H        HIS  86  19.381   0.154   5.288
  649    HA   HIS  86           HA       HIS  86  16.765  -0.469   4.324
  650    HB2  HIS  86           1HB      HIS  86  17.058   1.589   3.035
  651    HB3  HIS  86           2HB      HIS  86  17.587   1.788   4.706
  652    HD2  HIS  86           2HD      HIS  86  18.952   1.621   1.110
  653    HE1  HIS  86           1HE      HIS  86  22.199   2.855   3.570
  654    HE2  HIS  86           2HE      HIS  86  21.434   2.500   1.165
  655    H    GLY  87           H        GLY  87  19.822  -1.420   3.143
  656    HA2  GLY  87           1HA      GLY  87  19.171  -1.845   0.343
  657    HA3  GLY  87           2HA      GLY  87  20.563  -2.521   1.224
  658    H    ARG  88           H        ARG  88  18.486  -3.746   3.212
  659    HA   ARG  88           HA       ARG  88  17.972  -6.221   1.696
  660    HB2  ARG  88           1HB      ARG  88  19.047  -6.216   3.935
  661    HB3  ARG  88           2HB      ARG  88  17.592  -5.526   4.642
  662    HG2  ARG  88           1HG      ARG  88  17.829  -7.920   5.067
  663    HG3  ARG  88           2HG      ARG  88  16.352  -7.592   4.165
  664    HD2  ARG  88           1HD      ARG  88  17.295  -8.459   2.118
  665    HD3  ARG  88           2HD      ARG  88  18.928  -8.419   2.786
  666    HE   ARG  88           HE       ARG  88  18.625 -10.447   3.766
  667   HH11  ARG  88          1HH1      ARG  88  15.336  -9.368   2.920
  668   HH12  ARG  88          2HH1      ARG  88  14.671 -10.929   3.375
  669   HH21  ARG  88          1HH2      ARG  88  17.662 -12.432   4.093
  670   HH22  ARG  88          2HH2      ARG  88  15.983 -12.654   3.669
  671    H    ARG  89           H        ARG  89  16.515  -4.731   0.346
  672    HA   ARG  89           HA       ARG  89  13.846  -4.363   1.578
  673    HB2  ARG  89           1HB      ARG  89  13.519  -2.425   0.155
  674    HB3  ARG  89           2HB      ARG  89  14.954  -2.276   1.155
  675    HG2  ARG  89           1HG      ARG  89  16.407  -2.778  -0.732
  676    HG3  ARG  89           2HG      ARG  89  14.983  -2.978  -1.791
  677    HD2  ARG  89           1HD      ARG  89  14.362  -0.640  -1.411
  678    HD3  ARG  89           2HD      ARG  89  15.722  -0.441  -0.287
  679    HE   ARG  89           HE       ARG  89  16.623  -1.389  -2.854
  680   HH11  ARG  89          1HH1      ARG  89  15.596   1.602  -1.261
  681   HH12  ARG  89          2HH1      ARG  89  16.485   2.603  -2.371
  682   HH21  ARG  89          1HH2      ARG  89  17.751  -0.039  -4.240
  683   HH22  ARG  89          2HH2      ARG  89  17.690   1.684  -4.029
  684    H    ARG  90           H        ARG  90  11.981  -4.385   0.401
  685    HA   ARG  90           HA       ARG  90  11.902  -5.775  -2.237
  686    HB2  ARG  90           1HB      ARG  90  10.122  -6.453   0.150
  687    HB3  ARG  90           2HB      ARG  90   9.895  -7.030  -1.504
  688    HG2  ARG  90           1HG      ARG  90  12.170  -8.120  -1.379
  689    HG3  ARG  90           2HG      ARG  90  12.234  -7.677   0.340
  690    HD2  ARG  90           1HD      ARG  90  10.099  -8.955   0.705
  691    HD3  ARG  90           2HD      ARG  90  10.117  -9.415  -0.996
  692    HE   ARG  90           HE       ARG  90  11.897 -10.885  -0.648
  693   HH11  ARG  90          1HH1      ARG  90  11.259  -9.240   2.469
  694   HH12  ARG  90          2HH1      ARG  90  12.154 -10.505   3.315
  695   HH21  ARG  90          1HH2      ARG  90  13.013 -12.387   0.628
  696   HH22  ARG  90          2HH2      ARG  90  13.096 -12.077   2.358
  697    H    LYS  91           H        LYS  91  10.235  -5.089  -3.573
  698    HA   LYS  91           HA       LYS  91   9.259  -2.422  -3.207
  699    HB2  LYS  91           1HB      LYS  91   9.108  -4.603  -5.253
  700    HB3  LYS  91           2HB      LYS  91   7.804  -3.451  -5.320
  701    HG2  LYS  91           1HG      LYS  91  10.743  -2.651  -5.345
  702    HG3  LYS  91           2HG      LYS  91   9.804  -2.954  -6.808
  703    HD2  LYS  91           1HD      LYS  91   9.071  -0.864  -4.730
  704    HD3  LYS  91           2HD      LYS  91  10.006  -0.517  -6.176
  705    HE2  LYS  91           1HE      LYS  91   8.208  -0.832  -7.620
  706    HE3  LYS  91           2HE      LYS  91   7.333  -1.876  -6.505
  707    HZ1  LYS  91           3HZ      LYS  91   6.379   0.383  -6.704
  708    HZ2  LYS  91           1HZ      LYS  91   6.743  -0.014  -5.165
  709    HZ3  LYS  91           2HZ      LYS  91   7.724   1.013  -6.006
  710    H    ILE  92           H        ILE  92   7.316  -1.535  -2.810
  711    HA   ILE  92           HA       ILE  92   4.954  -3.294  -2.349
  712    HB   ILE  92           HB       ILE  92   4.122  -2.009  -0.552
  713   HG12  ILE  92          1HG1      ILE  92   6.526  -0.237  -0.859
  714   HG13  ILE  92          2HG1      ILE  92   4.851   0.203  -1.201
  715   HG21  ILE  92          1HG2      ILE  92   5.777  -3.811  -0.026
  716   HG22  ILE  92          2HG2      ILE  92   7.038  -2.564   0.094
  717   HG23  ILE  92          3HG2      ILE  92   5.659  -2.547   1.206
  718   HD11  ILE  92          3HD1      ILE  92   5.456   1.212   0.865
  719   HD12  ILE  92          1HD1      ILE  92   4.396  -0.161   1.281
  720   HD13  ILE  92          2HD1      ILE  92   6.158  -0.284   1.500
  721    H    LYS  93           H        LYS  93   2.897  -2.075  -2.589
  722    HA   LYS  93           HA       LYS  93   2.936   0.375  -4.163
  723    HB2  LYS  93           1HB      LYS  93   1.890  -0.438  -6.145
  724    HB3  LYS  93           2HB      LYS  93   3.328  -1.421  -5.901
  725    HG2  LYS  93           1HG      LYS  93   1.974  -3.267  -5.031
  726    HG3  LYS  93           2HG      LYS  93   0.510  -2.276  -5.080
  727    HD2  LYS  93           1HD      LYS  93   0.619  -2.103  -7.502
  728    HD3  LYS  93           2HD      LYS  93   2.101  -3.089  -7.535
  729    HE2  LYS  93           1HE      LYS  93   0.951  -5.023  -6.688
  730    HE3  LYS  93           2HE      LYS  93  -0.468  -4.074  -6.224
  731    HZ1  LYS  93           3HZ      LYS  93  -0.774  -5.348  -8.301
  732    HZ2  LYS  93           1HZ      LYS  93  -1.040  -3.751  -8.481
  733    HZ3  LYS  93           2HZ      LYS  93   0.358  -4.427  -9.044
  734    H    ARG  94           H        ARG  94   0.682   1.007  -4.796
  735    HA   ARG  94           HA       ARG  94  -1.424   0.021  -2.922
  736    HB2  ARG  94           1HB      ARG  94  -0.995   2.880  -3.880
  737    HB3  ARG  94           2HB      ARG  94  -2.369   2.296  -2.928
  738    HG2  ARG  94           1HG      ARG  94  -0.805   1.638  -1.088
  739    HG3  ARG  94           2HG      ARG  94   0.556   2.250  -2.036
  740    HD2  ARG  94           1HD      ARG  94   0.057   3.950  -0.501
  741    HD3  ARG  94           2HD      ARG  94  -0.551   4.515  -2.063
  742    HE   ARG  94           HE       ARG  94  -2.671   3.176  -0.738
  743   HH11  ARG  94          1HH1      ARG  94  -0.765   6.106  -0.230
  744   HH12  ARG  94          2HH1      ARG  94  -2.031   6.890   0.668
  745   HH21  ARG  94          1HH2      ARG  94  -4.305   4.279   0.345
  746   HH22  ARG  94          2HH2      ARG  94  -4.017   5.883   0.947
  747    H    ASP  95           H        ASP  95  -3.350  -0.428  -3.843
  748    HA   ASP  95           HA       ASP  95  -3.804   0.007  -6.751
  749    HB2  ASP  95           1HB      ASP  95  -2.722  -2.377  -5.795
  750    HB3  ASP  95           2HB      ASP  95  -4.460  -2.709  -5.783
  751    H    ILE  96           H        ILE  96  -6.022  -1.307  -7.214
  752    HA   ILE  96           HA       ILE  96  -8.074  -0.287  -5.276
  753    HB   ILE  96           HB       ILE  96  -8.084   0.040  -8.288
  754   HG12  ILE  96          1HG1      ILE  96  -6.442   1.571  -7.243
  755   HG13  ILE  96          2HG1      ILE  96  -7.785   2.413  -7.987
  756   HG21  ILE  96          1HG2      ILE  96 -10.368  -0.147  -7.508
  757   HG22  ILE  96          2HG2      ILE  96 -10.060   0.906  -6.109
  758   HG23  ILE  96          3HG2      ILE  96 -10.092   1.573  -7.749
  759   HD11  ILE  96          3HD1      ILE  96  -7.021   3.262  -5.690
  760   HD12  ILE  96          1HD1      ILE  96  -8.762   2.976  -5.905
  761   HD13  ILE  96          2HD1      ILE  96  -7.784   1.794  -5.023
  762    H    ILE  97           H        ILE  97  -9.760  -1.507  -4.993
  763    HA   ILE  97           HA       ILE  97  -9.944  -4.194  -6.273
  764    HB   ILE  97           HB       ILE  97 -11.561  -2.998  -4.017
  765   HG12  ILE  97          1HG1      ILE  97 -10.254  -4.978  -2.803
  766   HG13  ILE  97          2HG1      ILE  97  -9.048  -4.672  -4.050
  767   HG21  ILE  97          1HG2      ILE  97 -12.890  -4.608  -5.135
  768   HG22  ILE  97          2HG2      ILE  97 -11.557  -5.793  -5.171
  769   HG23  ILE  97          3HG2      ILE  97 -12.326  -5.326  -3.632
  770   HD11  ILE  97          3HD1      ILE  97  -8.921  -3.443  -1.755
  771   HD12  ILE  97          1HD1      ILE  97  -8.626  -2.479  -3.221
  772   HD13  ILE  97          2HD1      ILE  97 -10.192  -2.399  -2.364
  773    H    ASP  98           H        ASP  98 -11.611  -4.865  -7.545
  774    HA   ASP  98           HA       ASP  98 -13.306  -2.773  -8.743
  775    HB2  ASP  98           1HB      ASP  98 -11.840  -4.201 -10.148
  776    HB3  ASP  98           2HB      ASP  98 -12.721  -5.628  -9.609
  777    H    ILE  99           H        ILE  99 -13.678  -5.571  -6.776
  778    HA   ILE  99           HA       ILE  99 -15.328  -6.407  -5.510
  779    HB   ILE  99           HB       ILE  99 -17.186  -4.284  -6.581
  780   HG12  ILE  99          1HG1      ILE  99 -15.213  -3.317  -5.385
  781   HG13  ILE  99          2HG1      ILE  99 -16.755  -2.989  -4.621
  782   HG21  ILE  99          1HG2      ILE  99 -18.504  -6.077  -5.683
  783   HG22  ILE  99          2HG2      ILE  99 -17.533  -6.122  -4.199
  784   HG23  ILE  99          3HG2      ILE  99 -18.541  -4.712  -4.571
  785   HD11  ILE  99          3HD1      ILE  99 -14.958  -3.531  -2.998
  786   HD12  ILE  99          1HD1      ILE  99 -16.323  -4.645  -2.877
  787   HD13  ILE  99          2HD1      ILE  99 -14.826  -5.158  -3.687
  788    HA   PRO 100           HA       PRO 100 -16.963  -9.232  -8.585
  789    HB2  PRO 100           1HB      PRO 100 -17.677 -11.315  -6.999
  790    HB3  PRO 100           2HB      PRO 100 -15.969 -10.836  -7.213
  791    HG2  PRO 100           1HG      PRO 100 -17.854 -10.058  -4.952
  792    HG3  PRO 100           2HG      PRO 100 -16.203 -10.747  -4.818
  793    HD2  PRO 100           1HD      PRO 100 -16.689  -8.051  -4.691
  794    HD3  PRO 100           2HD      PRO 100 -15.205  -8.708  -5.438
  795    H    LYS 101           H        LYS 101 -18.980 -10.445  -9.055
  796    HA   LYS 101           HA       LYS 101 -21.341  -8.862  -8.758
  797    HB2  LYS 101           1HB      LYS 101 -22.457 -10.648  -9.959
  798    HB3  LYS 101           2HB      LYS 101 -20.887 -10.306 -10.684
  799    HG2  LYS 101           1HG      LYS 101 -19.929 -12.314  -9.535
  800    HG3  LYS 101           2HG      LYS 101 -21.520 -12.655  -8.829
  801    HD2  LYS 101           1HD      LYS 101 -22.481 -12.896 -11.102
  802    HD3  LYS 101           2HD      LYS 101 -20.888 -12.549 -11.811
  803    HE2  LYS 101           1HE      LYS 101 -19.941 -14.534 -10.643
  804    HE3  LYS 101           2HE      LYS 101 -21.527 -14.880  -9.941
  805    HZ1  LYS 101           3HZ      LYS 101 -21.127 -16.212 -11.924
  806    HZ2  LYS 101           1HZ      LYS 101 -22.381 -15.203 -12.197
  807    HZ3  LYS 101           2HZ      LYS 101 -20.913 -14.881 -12.847
  808    H    LYS 102           H        LYS 102 -20.025 -11.135  -6.571
  809    HA   LYS 102           HA       LYS 102 -22.469 -11.791  -5.115
  810    HB2  LYS 102           1HB      LYS 102 -20.406 -13.200  -5.251
  811    HB3  LYS 102           2HB      LYS 102 -19.534 -11.988  -4.305
  812    HG2  LYS 102           1HG      LYS 102 -21.036 -12.382  -2.381
  813    HG3  LYS 102           2HG      LYS 102 -22.006 -13.510  -3.353
  814    HD2  LYS 102           1HD      LYS 102 -20.034 -14.997  -3.588
  815    HD3  LYS 102           2HD      LYS 102 -19.058 -13.857  -2.632
  816    HE2  LYS 102           1HE      LYS 102 -20.609 -14.153  -0.708
  817    HE3  LYS 102           2HE      LYS 102 -21.577 -15.288  -1.657
  818    HZ1  LYS 102           3HZ      LYS 102 -20.019 -16.448  -0.212
  819    HZ2  LYS 102           1HZ      LYS 102 -19.633 -16.748  -1.769
  820    HZ3  LYS 102           2HZ      LYS 102 -18.737 -15.697  -0.890
  821    H    GLY 103           H        GLY 103 -20.430  -8.995  -5.183
  822    HA2  GLY 103           1HA      GLY 103 -20.644  -8.115  -2.457
  823    HA3  GLY 103           2HA      GLY 103 -20.082  -7.170  -3.849
  824    H    VAL 104           H        VAL 104 -23.288  -8.591  -3.207
  825    HA   VAL 104           HA       VAL 104 -24.628  -6.090  -3.956
  826    HB   VAL 104           HB       VAL 104 -25.455  -8.324  -4.657
  827   HG11  VAL 104          1HG1      VAL 104 -25.127  -9.595  -2.545
  828   HG12  VAL 104          2HG1      VAL 104 -26.441  -8.665  -1.792
  829   HG13  VAL 104          3HG1      VAL 104 -26.776  -9.726  -3.171
  830   HG21  VAL 104          3HG2      VAL 104 -27.817  -7.810  -4.431
  831   HG22  VAL 104          1HG2      VAL 104 -27.494  -6.707  -3.080
  832   HG23  VAL 104          2HG2      VAL 104 -26.900  -6.320  -4.710
  833    H    SER 105           H        SER 105 -25.828  -4.728  -2.628
  834    HA   SER 105           HA       SER 105 -24.914  -4.342   0.020
  835    HB2  SER 105           1HB      SER 105 -27.408  -3.184  -1.274
  836    HB3  SER 105           2HB      SER 105 -26.494  -2.502   0.082
  837    HG   SER 105           HG       SER 105 -25.949  -1.493  -1.921
  838    H    GLY 106           H        GLY 106 -27.427  -6.473  -0.976
  839    HA2  GLY 106           1HA      GLY 106 -27.868  -7.593   1.545
  840    HA3  GLY 106           2HA      GLY 106 -29.139  -6.403   1.351
  841    HA   PRO 107           HA       PRO 107 -30.245 -10.474  -0.835
  842    HB2  PRO 107           1HB      PRO 107 -32.071 -11.540   0.891
  843    HB3  PRO 107           2HB      PRO 107 -30.306 -11.773   1.089
  844    HG2  PRO 107           1HG      PRO 107 -32.076  -9.725   2.464
  845    HG3  PRO 107           2HG      PRO 107 -30.880 -10.830   3.213
  846    HD2  PRO 107           1HD      PRO 107 -30.272  -8.242   2.590
  847    HD3  PRO 107           2HD      PRO 107 -29.064  -9.551   2.424
  848    H    SER 108           H        SER 108 -32.130 -10.781  -2.076
  849    HA   SER 108           HA       SER 108 -34.596  -9.323  -1.674
  850    HB2  SER 108           1HB      SER 108 -33.121  -7.490  -2.506
  851    HB3  SER 108           2HB      SER 108 -32.796  -8.442  -3.964
  852    HG   SER 108           HG       SER 108 -34.516  -6.866  -4.201
  853    H    SER 109           H        SER 109 -36.218  -9.904  -3.240
  854    HA   SER 109           HA       SER 109 -35.834 -12.549  -4.469
  855    HB2  SER 109           1HB      SER 109 -38.272 -10.735  -4.467
  856    HB3  SER 109           2HB      SER 109 -38.232 -12.458  -4.864
  857    HG   SER 109           HG       SER 109 -37.683 -12.904  -2.686
  858    H    GLY 110           H        GLY 110 -35.283  -9.406  -5.597
  859    HA2  GLY 110           1HA      GLY 110 -34.698 -10.151  -8.277
  860    HA3  GLY 110           2HA      GLY 110 -36.310  -9.437  -8.265
  861   H5'1  ATP 201          H5"       ATP 111  11.124 -14.634   6.136
  862   H5'2  ATP 201          H5'       ATP 111  10.799 -13.248   7.179
  863    H4'  ATP 201           H4'      ATP 111   8.757 -14.473   6.672
  864    H3'  ATP 201           H3'      ATP 111   9.785 -14.834   4.073
  865   HO3'  ATP 201          H3T       ATP 111   7.480 -15.552   3.752
  866    H2'  ATP 201           H2'      ATP 111   9.243 -12.627   3.426
  867   HO2'  ATP 201          2HO       ATP 111   8.076 -13.982   1.948
  868    H1'  ATP 201           H1'      ATP 111   6.694 -12.995   5.054
  869    H8   ATP 201           8H       ATP 111   9.055 -10.402   3.401
  870   HN61  ATP 201          2H6       ATP 111   5.627  -6.778   3.179
  871   HN62  ATP 201          1H6       ATP 111   4.074  -6.663   4.006
  872    H2   ATP 201           2H       ATP 111   3.364 -10.137   6.385
  Start of MODEL   17
    1    HA   PRO   1           HA       PRO   1  22.338   8.420  12.298
    2    HB2  PRO   1           1HB      PRO   1  24.710  10.183  11.714
    3    HB3  PRO   1           2HB      PRO   1  23.226  10.535  12.648
    4    HG2  PRO   1           1HG      PRO   1  25.784   9.530  13.617
    5    HG3  PRO   1           2HG      PRO   1  24.312   9.819  14.591
    6    HD2  PRO   1           1HD      PRO   1  25.338   7.294  14.170
    7    HD3  PRO   1           2HD      PRO   1  23.607   7.630  14.412
    8    H    SER   2           H        SER   2  21.676   9.838  10.420
    9    HA   SER   2           HA       SER   2  22.942   9.552   7.840
   10    HB2  SER   2           1HB      SER   2  21.873   7.281   8.137
   11    HB3  SER   2           2HB      SER   2  20.299   8.091   8.194
   12    HG   SER   2           HG       SER   2  20.931   7.309   6.070
   13    H    SER   3           H        SER   3  21.407  10.429   6.106
   14    HA   SER   3           HA       SER   3  19.512  12.521   7.014
   15    HB2  SER   3           1HB      SER   3  20.835  14.318   5.966
   16    HB3  SER   3           2HB      SER   3  21.682  13.569   7.322
   17    HG   SER   3           HG       SER   3  23.062  13.878   5.492
   18    H    GLY   4           H        GLY   4  19.828  10.073   4.996
   19    HA2  GLY   4           1HA      GLY   4  19.423  11.216   2.369
   20    HA3  GLY   4           2HA      GLY   4  19.225   9.516   2.826
   21    H    SER   5           H        SER   5  17.640  11.324   1.105
   22    HA   SER   5           HA       SER   5  14.986  10.440   1.724
   23    HB2  SER   5           1HB      SER   5  13.918  12.629   2.017
   24    HB3  SER   5           2HB      SER   5  15.008  12.278   3.354
   25    HG   SER   5           HG       SER   5  16.553  13.671   2.390
   26    H    SER   6           H        SER   6  13.390  11.362   0.022
   27    HA   SER   6           HA       SER   6  14.724  11.396  -2.598
   28    HB2  SER   6           1HB      SER   6  11.810  11.662  -1.795
   29    HB3  SER   6           2HB      SER   6  12.390  11.576  -3.464
   30    HG   SER   6           HG       SER   6  13.175   9.494  -3.081
   31    H    GLY   7           H        GLY   7  13.866  13.874  -0.395
   32    HA2  GLY   7           1HA      GLY   7  14.437  16.100  -0.442
   33    HA3  GLY   7           2HA      GLY   7  15.053  15.864  -2.093
   34    H    PHE   8           H        PHE   8  12.948  15.284  -3.573
   35    HA   PHE   8           HA       PHE   8  11.641  17.925  -3.733
   36    HB2  PHE   8           1HB      PHE   8  11.953  15.678  -5.759
   37    HB3  PHE   8           2HB      PHE   8  11.288  17.267  -6.097
   38    HD1  PHE   8           1HD      PHE   8  12.762  19.338  -5.800
   39    HD2  PHE   8           2HD      PHE   8  14.335  15.321  -5.813
   40    HE1  PHE   8           1HE      PHE   8  15.032  20.225  -6.276
   41    HE2  PHE   8           2HE      PHE   8  16.601  16.213  -6.289
   42    HZ   PHE   8           HZ       PHE   8  16.955  18.665  -6.521
   43    H    LEU   9           H        LEU   9   9.506  18.167  -4.587
   44    HA   LEU   9           HA       LEU   9   7.451  16.627  -3.257
   45    HB2  LEU   9           1HB      LEU   9   7.406  19.093  -3.688
   46    HB3  LEU   9           2HB      LEU   9   7.338  18.777  -5.420
   47    HG   LEU   9           HG       LEU   9   5.102  17.739  -5.155
   48   HD11  LEU   9          1HD1      LEU   9   5.246  16.882  -2.837
   49   HD12  LEU   9          2HD1      LEU   9   5.375  18.544  -2.219
   50   HD13  LEU   9          3HD1      LEU   9   3.879  17.988  -3.000
   51   HD21  LEU   9          3HD2      LEU   9   3.887  19.815  -4.653
   52   HD22  LEU   9          1HD2      LEU   9   5.341  20.504  -3.900
   53   HD23  LEU   9          2HD2      LEU   9   5.320  20.144  -5.641
   54    H    ASP  10           H        ASP  10   5.709  15.488  -4.297
   55    HA   ASP  10           HA       ASP  10   6.475  13.582  -6.293
   56    HB2  ASP  10           1HB      ASP  10   4.759  13.335  -4.422
   57    HB3  ASP  10           2HB      ASP  10   3.670  14.300  -5.434
   58    H    LYS  11           H        LYS  11   5.177  13.095  -8.144
   59    HA   LYS  11           HA       LYS  11   5.706  15.158 -10.083
   60    HB2  LYS  11           1HB      LYS  11   4.981  12.225 -10.072
   61    HB3  LYS  11           2HB      LYS  11   4.911  13.100 -11.597
   62    HG2  LYS  11           1HG      LYS  11   7.412  13.816 -10.361
   63    HG3  LYS  11           2HG      LYS  11   7.222  12.071 -10.160
   64    HD2  LYS  11           1HD      LYS  11   6.811  11.860 -12.617
   65    HD3  LYS  11           2HD      LYS  11   7.033  13.620 -12.783
   66    HE2  LYS  11           1HE      LYS  11   9.339  13.411 -11.876
   67    HE3  LYS  11           2HE      LYS  11   9.118  11.665 -11.695
   68    HZ1  LYS  11           3HZ      LYS  11  10.289  12.197 -13.746
   69    HZ2  LYS  11           1HZ      LYS  11   8.852  11.515 -14.110
   70    HZ3  LYS  11           2HZ      LYS  11   9.059  13.128 -14.279
   71    HA   PRO  12           HA       PRO  12   1.709  16.709 -11.039
   72    HB2  PRO  12           1HB      PRO  12   1.995  17.555 -13.614
   73    HB3  PRO  12           2HB      PRO  12   2.947  18.234 -12.275
   74    HG2  PRO  12           1HG      PRO  12   3.752  16.049 -14.231
   75    HG3  PRO  12           2HG      PRO  12   4.678  17.519 -13.783
   76    HD2  PRO  12           1HD      PRO  12   5.094  15.063 -12.611
   77    HD3  PRO  12           2HD      PRO  12   5.332  16.588 -11.730
   78    H    THR  13           H        THR  13   0.078  16.717 -13.009
   79    HA   THR  13           HA       THR  13  -0.335  14.161 -14.335
   80    HB   THR  13           HB       THR  13  -1.225  13.750 -12.043
   81    HG1  THR  13           1HG      THR  13  -2.936  12.743 -12.858
   82   HG21  THR  13          3HG2      THR  13  -3.171  14.875 -11.229
   83   HG22  THR  13          1HG2      THR  13  -2.005  16.133 -11.626
   84   HG23  THR  13          2HG2      THR  13  -3.361  15.811 -12.731
   85    H    LEU  14           H        LEU  14  -2.273  14.134 -15.603
   86    HA   LEU  14           HA       LEU  14  -2.628  16.744 -17.018
   87    HB2  LEU  14           1HB      LEU  14  -3.090  13.910 -18.025
   88    HB3  LEU  14           2HB      LEU  14  -3.104  15.383 -18.974
   89    HG   LEU  14           HG       LEU  14  -0.535  15.284 -17.631
   90   HD11  LEU  14          1HD1      LEU  14  -0.940  12.873 -17.315
   91   HD12  LEU  14          2HD1      LEU  14  -1.214  12.683 -19.062
   92   HD13  LEU  14          3HD1      LEU  14   0.383  13.175 -18.456
   93   HD21  LEU  14          3HD2      LEU  14   0.343  15.217 -19.918
   94   HD22  LEU  14          1HD2      LEU  14  -1.261  14.781 -20.550
   95   HD23  LEU  14          2HD2      LEU  14  -0.995  16.373 -19.798
   96    H    LEU  15           H        LEU  15  -4.226  14.830 -14.815
   97    HA   LEU  15           HA       LEU  15  -6.941  15.099 -15.944
   98    HB2  LEU  15           1HB      LEU  15  -6.161  13.949 -13.244
   99    HB3  LEU  15           2HB      LEU  15  -7.660  13.726 -14.126
  100    HG   LEU  15           HG       LEU  15  -4.943  12.574 -14.862
  101   HD11  LEU  15          1HD1      LEU  15  -6.121  11.490 -12.964
  102   HD12  LEU  15          2HD1      LEU  15  -7.540  11.235 -14.001
  103   HD13  LEU  15          3HD1      LEU  15  -6.005  10.422 -14.374
  104   HD21  LEU  15          3HD2      LEU  15  -6.144  11.347 -16.669
  105   HD22  LEU  15          1HD2      LEU  15  -7.595  12.324 -16.350
  106   HD23  LEU  15          2HD2      LEU  15  -6.103  13.089 -16.954
  107    H    SER  16           H        SER  16  -8.589  15.501 -14.075
  108    HA   SER  16           HA       SER  16  -8.264  18.276 -13.103
  109    HB2  SER  16           1HB      SER  16 -10.544  16.383 -13.655
  110    HB3  SER  16           2HB      SER  16 -10.783  17.739 -12.617
  111    HG   SER  16           HG       SER  16 -11.270  18.226 -14.846
  112    HA   PRO  17           HA       PRO  17  -7.836  17.105  -8.849
  113    HB2  PRO  17           1HB      PRO  17  -9.384  18.946  -7.526
  114    HB3  PRO  17           2HB      PRO  17  -7.830  19.343  -8.321
  115    HG2  PRO  17           1HG      PRO  17 -10.633  19.686  -9.438
  116    HG3  PRO  17           2HG      PRO  17  -9.290  20.877  -9.427
  117    HD2  PRO  17           1HD      PRO  17  -9.808  19.352 -11.615
  118    HD3  PRO  17           2HD      PRO  17  -8.128  19.746 -11.130
  119    H    GLU  18           H        GLU  18 -11.045  17.192 -10.273
  120    HA   GLU  18           HA       GLU  18 -12.377  15.717  -8.151
  121    HB2  GLU  18           1HB      GLU  18 -13.181  16.099 -11.061
  122    HB3  GLU  18           2HB      GLU  18 -14.227  15.574  -9.747
  123    HG2  GLU  18           1HG      GLU  18 -12.931  18.323 -10.043
  124    HG3  GLU  18           2HG      GLU  18 -14.612  17.924 -10.345
  125    H    GLU  19           H        GLU  19 -10.570  14.811 -11.065
  126    HA   GLU  19           HA       GLU  19 -11.701  12.165 -11.433
  127    HB2  GLU  19           1HB      GLU  19  -9.260  13.657 -12.432
  128    HB3  GLU  19           2HB      GLU  19  -9.448  11.965 -12.782
  129    HG2  GLU  19           1HG      GLU  19 -11.418  14.171 -13.527
  130    HG3  GLU  19           2HG      GLU  19 -10.211  13.461 -14.597
  131    H    LEU  20           H        LEU  20  -8.666  13.375 -10.129
  132    HA   LEU  20           HA       LEU  20  -7.419  10.908  -9.431
  133    HB2  LEU  20           1HB      LEU  20  -7.096  13.646  -8.141
  134    HB3  LEU  20           2HB      LEU  20  -5.911  12.360  -8.096
  135    HG   LEU  20           HG       LEU  20  -6.738  13.288 -10.851
  136   HD11  LEU  20          1HD1      LEU  20  -6.641  15.341  -9.464
  137   HD12  LEU  20          2HD1      LEU  20  -4.934  14.992  -9.118
  138   HD13  LEU  20          3HD1      LEU  20  -5.476  15.294 -10.799
  139   HD21  LEU  20          3HD2      LEU  20  -4.424  12.911 -11.368
  140   HD22  LEU  20          1HD2      LEU  20  -4.008  12.701  -9.654
  141   HD23  LEU  20          2HD2      LEU  20  -5.036  11.507 -10.481
  142    H    LYS  21           H        LYS  21  -9.370  13.182  -7.531
  143    HA   LYS  21           HA       LYS  21  -9.546  11.570  -5.126
  144    HB2  LYS  21           1HB      LYS  21 -11.066  13.910  -6.284
  145    HB3  LYS  21           2HB      LYS  21 -11.784  13.009  -4.958
  146    HG2  LYS  21           1HG      LYS  21 -10.529  14.994  -4.211
  147    HG3  LYS  21           2HG      LYS  21 -10.002  13.484  -3.466
  148    HD2  LYS  21           1HD      LYS  21  -7.970  13.435  -4.798
  149    HD3  LYS  21           2HD      LYS  21  -8.556  14.739  -5.825
  150    HE2  LYS  21           1HE      LYS  21  -6.927  15.666  -4.336
  151    HE3  LYS  21           2HE      LYS  21  -8.512  16.303  -3.896
  152    HZ1  LYS  21           3HZ      LYS  21  -7.233  15.618  -1.949
  153    HZ2  LYS  21           1HZ      LYS  21  -8.573  14.697  -2.066
  154    HZ3  LYS  21           2HZ      LYS  21  -7.116  14.084  -2.494
  155    H    ALA  22           H        ALA  22 -11.735  11.739  -8.010
  156    HA   ALA  22           HA       ALA  22 -13.653   9.912  -6.962
  157    HB1  ALA  22           1HB      ALA  22 -14.154  11.432  -8.802
  158    HB2  ALA  22           2HB      ALA  22 -12.984  10.595  -9.853
  159    HB3  ALA  22           3HB      ALA  22 -14.449   9.760  -9.300
  160    H    ALA  23           H        ALA  23 -10.622   9.195  -8.691
  161    HA   ALA  23           HA       ALA  23 -10.985   6.447  -9.188
  162    HB1  ALA  23           1HB      ALA  23  -9.010   7.832  -9.874
  163    HB2  ALA  23           2HB      ALA  23  -8.473   7.844  -8.169
  164    HB3  ALA  23           3HB      ALA  23  -8.540   6.319  -9.060
  165    H    SER  24           H        SER  24 -10.469   8.035  -6.086
  166    HA   SER  24           HA       SER  24 -10.234   5.409  -4.696
  167    HB2  SER  24           1HB      SER  24  -8.559   7.111  -4.152
  168    HB3  SER  24           2HB      SER  24  -9.837   8.247  -3.684
  169    HG   SER  24           HG       SER  24  -8.952   7.150  -1.863
  170    H    ARG  25           H        ARG  25 -12.066   8.493  -4.428
  171    HA   ARG  25           HA       ARG  25 -13.908   7.627  -2.478
  172    HB2  ARG  25           1HB      ARG  25 -13.895   9.925  -4.468
  173    HB3  ARG  25           2HB      ARG  25 -15.060   9.753  -3.184
  174    HG2  ARG  25           1HG      ARG  25 -12.057  10.136  -2.881
  175    HG3  ARG  25           2HG      ARG  25 -13.319  11.313  -2.549
  176    HD2  ARG  25           1HD      ARG  25 -12.792   8.749  -1.005
  177    HD3  ARG  25           2HD      ARG  25 -12.430  10.401  -0.499
  178    HE   ARG  25           HE       ARG  25 -15.102  10.568  -0.940
  179   HH11  ARG  25          1HH1      ARG  25 -13.234   8.323   1.060
  180   HH12  ARG  25          2HH1      ARG  25 -14.569   8.031   2.133
  181   HH21  ARG  25          1HH2      ARG  25 -16.779  10.142   0.477
  182   HH22  ARG  25          2HH2      ARG  25 -16.543   9.058   1.814
  183    H    GLY  26           H        GLY  26 -13.993   7.032  -5.892
  184    HA2  GLY  26           1HA      GLY  26 -16.825   6.647  -6.246
  185    HA3  GLY  26           2HA      GLY  26 -15.519   5.954  -7.238
  186    H    ASN  27           H        ASN  27 -14.438   4.715  -4.605
  187    HA   ASN  27           HA       ASN  27 -16.533   2.622  -4.126
  188    HB2  ASN  27           1HB      ASN  27 -13.522   2.215  -4.248
  189    HB3  ASN  27           2HB      ASN  27 -14.718   1.001  -3.789
  190   HD21  ASN  27          2HD2      ASN  27 -16.463   0.512  -5.511
  191   HD22  ASN  27          1HD2      ASN  27 -15.841   0.411  -7.150
  192    H    GLY  28           H        GLY  28 -13.606   4.194  -2.713
  193    HA2  GLY  28           1HA      GLY  28 -13.446   5.220  -0.613
  194    HA3  GLY  28           2HA      GLY  28 -14.977   4.469  -0.095
  195    H    GLU  29           H        GLU  29 -13.080   2.122  -1.486
  196    HA   GLU  29           HA       GLU  29 -12.114   1.017   1.087
  197    HB2  GLU  29           1HB      GLU  29 -13.177  -0.080  -1.364
  198    HB3  GLU  29           2HB      GLU  29 -11.530  -0.597  -1.226
  199    HG2  GLU  29           1HG      GLU  29 -13.045  -2.219  -0.145
  200    HG3  GLU  29           2HG      GLU  29 -11.960  -1.500   1.041
  201    H    TYR  30           H        TYR  30  -9.984  -0.355   0.629
  202    HA   TYR  30           HA       TYR  30  -7.944   0.723  -1.050
  203    HB2  TYR  30           1HB      TYR  30  -6.518   1.771   0.561
  204    HB3  TYR  30           2HB      TYR  30  -8.056   2.598   0.594
  205    HD1  TYR  30           1HD      TYR  30  -9.785   1.777   2.409
  206    HD2  TYR  30           2HD      TYR  30  -5.583   0.847   2.518
  207    HE1  TYR  30           1HE      TYR  30  -9.955   1.313   4.862
  208    HE2  TYR  30           2HE      TYR  30  -5.750   0.321   4.949
  209    HH   TYR  30           HH       TYR  30  -8.835   0.654   6.761
  210    H    ALA  31           H        ALA  31  -6.024  -0.392  -0.946
  211    HA   ALA  31           HA       ALA  31  -5.504  -2.443   1.094
  212    HB1  ALA  31           1HB      ALA  31  -6.840  -3.778  -0.359
  213    HB2  ALA  31           2HB      ALA  31  -6.163  -3.050  -1.823
  214    HB3  ALA  31           3HB      ALA  31  -5.180  -4.151  -0.817
  215    H    TRP  32           H        TRP  32  -3.370  -3.175   1.064
  216    HA   TRP  32           HA       TRP  32  -1.439  -1.686  -0.660
  217    HB2  TRP  32           1HB      TRP  32  -1.239  -2.394   2.286
  218    HB3  TRP  32           2HB      TRP  32   0.156  -2.018   1.291
  219    HD1  TRP  32           HD       TRP  32  -3.178  -0.227   2.156
  220    HE1  TRP  32           1HE      TRP  32  -2.741   2.291   2.309
  221    HE3  TRP  32           3HE      TRP  32   1.819  -0.202   0.989
  222    HZ2  TRP  32           2HZ      TRP  32  -0.431   4.042   2.303
  223    HZ3  TRP  32           3HZ      TRP  32   3.097   1.919   1.066
  224    HH2  TRP  32           HH       TRP  32   1.990   4.040   1.735
  225    H    TYR  33           H        TYR  33   0.273  -2.854  -1.447
  226    HA   TYR  33           HA       TYR  33   0.308  -5.808  -1.036
  227    HB2  TYR  33           1HB      TYR  33   0.197  -4.326  -3.685
  228    HB3  TYR  33           2HB      TYR  33   0.635  -6.011  -3.534
  229    HD1  TYR  33           1HD      TYR  33  -2.199  -3.613  -2.924
  230    HD2  TYR  33           2HD      TYR  33  -0.987  -7.691  -3.662
  231    HE1  TYR  33           1HE      TYR  33  -4.587  -4.275  -3.190
  232    HE2  TYR  33           2HE      TYR  33  -3.366  -8.348  -3.929
  233    HH   TYR  33           HH       TYR  33  -5.562  -7.648  -3.907
  234    H    TYR  34           H        TYR  34   2.284  -6.842  -1.647
  235    HA   TYR  34           HA       TYR  34   4.646  -5.106  -2.196
  236    HB2  TYR  34           1HB      TYR  34   5.962  -6.248  -0.549
  237    HB3  TYR  34           2HB      TYR  34   4.556  -5.547   0.221
  238    HD1  TYR  34           1HD      TYR  34   2.654  -7.028   0.985
  239    HD2  TYR  34           2HD      TYR  34   6.359  -8.635  -0.528
  240    HE1  TYR  34           1HE      TYR  34   2.112  -9.222   2.009
  241    HE2  TYR  34           2HE      TYR  34   5.824 -10.835   0.501
  242    HH   TYR  34           HH       TYR  34   2.805 -11.391   2.362
  243    H    GLU  35           H        GLU  35   6.344  -6.135  -3.386
  244    HA   GLU  35           HA       GLU  35   5.487  -8.372  -5.062
  245    HB2  GLU  35           1HB      GLU  35   8.138  -6.883  -4.920
  246    HB3  GLU  35           2HB      GLU  35   7.772  -8.207  -6.038
  247    HG2  GLU  35           1HG      GLU  35   5.742  -6.834  -6.783
  248    HG3  GLU  35           2HG      GLU  35   6.496  -5.473  -5.932
  249    H    GLY  36           H        GLY  36   5.169 -10.142  -3.776
  250    HA2  GLY  36           1HA      GLY  36   7.347 -11.320  -2.157
  251    HA3  GLY  36           2HA      GLY  36   5.729 -11.988  -2.435
  252    H    ARG  37           H        ARG  37   7.413 -13.844  -2.534
  253    HA   ARG  37           HA       ARG  37   9.208 -14.178  -4.645
  254    HB2  ARG  37           1HB      ARG  37   7.692 -16.320  -3.097
  255    HB3  ARG  37           2HB      ARG  37   9.141 -16.592  -4.077
  256    HG2  ARG  37           1HG      ARG  37  10.414 -15.019  -2.615
  257    HG3  ARG  37           2HG      ARG  37   8.978 -14.827  -1.591
  258    HD2  ARG  37           1HD      ARG  37   8.990 -17.258  -1.109
  259    HD3  ARG  37           2HD      ARG  37  10.422 -17.445  -2.140
  260    HE   ARG  37           HE       ARG  37  10.634 -15.498   0.095
  261   HH11  ARG  37          1HH1      ARG  37  11.494 -18.822  -0.922
  262   HH12  ARG  37          2HH1      ARG  37  12.763 -18.872   0.276
  263   HH21  ARG  37          1HH2      ARG  37  12.189 -15.672   1.450
  264   HH22  ARG  37          2HH2      ARG  37  13.231 -17.094   1.560
  265    H    ASN  38           H        ASN  38   5.774 -14.968  -4.647
  266    HA   ASN  38           HA       ASN  38   5.944 -16.051  -7.426
  267    HB2  ASN  38           1HB      ASN  38   3.868 -16.402  -5.244
  268    HB3  ASN  38           2HB      ASN  38   3.716 -17.059  -6.872
  269   HD21  ASN  38          2HD2      ASN  38   4.078 -18.316  -4.046
  270   HD22  ASN  38          1HD2      ASN  38   5.372 -19.469  -4.316
  271    H    GLY  39           H        GLY  39   5.026 -13.148  -5.936
  272    HA2  GLY  39           1HA      GLY  39   4.413 -11.595  -8.027
  273    HA3  GLY  39           2HA      GLY  39   2.872 -12.418  -7.822
  274    H    TRP  40           H        TRP  40   2.318  -9.997  -7.510
  275    HA   TRP  40           HA       TRP  40   2.847  -8.701  -5.022
  276    HB2  TRP  40           1HB      TRP  40   0.474  -8.503  -6.904
  277    HB3  TRP  40           2HB      TRP  40   0.783  -7.421  -5.557
  278    HD1  TRP  40           HD       TRP  40   1.750  -8.064  -9.116
  279    HE1  TRP  40           1HE      TRP  40   3.310  -6.237  -9.974
  280    HE3  TRP  40           3HE      TRP  40   2.794  -5.747  -4.670
  281    HZ2  TRP  40           2HZ      TRP  40   4.670  -3.907  -8.901
  282    HZ3  TRP  40           3HZ      TRP  40   4.237  -3.726  -4.622
  283    HH2  TRP  40           HH       TRP  40   5.142  -2.777  -6.724
  284    H    TRP  41           H        TRP  41   2.161  -9.155  -3.015
  285    HA   TRP  41           HA       TRP  41  -0.411 -10.632  -2.633
  286    HB2  TRP  41           1HB      TRP  41   2.114 -10.930  -0.972
  287    HB3  TRP  41           2HB      TRP  41   0.560 -11.719  -0.671
  288    HD1  TRP  41           HD       TRP  41   3.723 -12.647  -1.925
  289    HE1  TRP  41           1HE      TRP  41   3.662 -14.525  -3.675
  290    HE3  TRP  41           3HE      TRP  41  -1.291 -12.646  -2.941
  291    HZ2  TRP  41           2HZ      TRP  41   1.732 -15.633  -5.533
  292    HZ3  TRP  41           3HZ      TRP  41  -2.216 -14.102  -4.683
  293    HH2  TRP  41           HH       TRP  41  -0.721 -15.600  -6.018
  294    H    GLN  42           H        GLN  42  -1.738 -10.012  -0.994
  295    HA   GLN  42           HA       GLN  42  -1.559  -7.165  -0.410
  296    HB2  GLN  42           1HB      GLN  42  -3.622  -8.504  -1.187
  297    HB3  GLN  42           2HB      GLN  42  -3.732  -9.089   0.477
  298    HG2  GLN  42           1HG      GLN  42  -3.786  -6.648   1.215
  299    HG3  GLN  42           2HG      GLN  42  -3.871  -6.192  -0.481
  300   HE21  GLN  42          2HE2      GLN  42  -5.850  -5.931   1.879
  301   HE22  GLN  42          1HE2      GLN  42  -7.325  -6.621   1.222
  302    H    TYR  43           H        TYR  43  -1.257  -6.171   1.535
  303    HA   TYR  43           HA       TYR  43  -0.276  -7.611   3.874
  304    HB2  TYR  43           1HB      TYR  43  -1.010  -4.739   3.259
  305    HB3  TYR  43           2HB      TYR  43  -0.606  -5.250   4.892
  306    HD1  TYR  43           2HD      TYR  43   1.671  -6.225   5.388
  307    HD2  TYR  43           1HD      TYR  43   0.722  -4.293   1.660
  308    HE1  TYR  43           2HE      TYR  43   4.084  -5.866   4.962
  309    HE2  TYR  43           1HE      TYR  43   3.138  -3.914   1.227
  310    HH   TYR  43           HH       TYR  43   5.668  -5.090   3.481
  311    H    ASP  44           H        ASP  44  -1.270  -7.802   5.882
  312    HA   ASP  44           HA       ASP  44  -4.005  -8.534   6.035
  313    HB2  ASP  44           1HB      ASP  44  -2.292  -9.410   7.509
  314    HB3  ASP  44           2HB      ASP  44  -1.934  -7.801   8.137
  315    H    GLU  45           H        GLU  45  -5.754  -7.559   7.362
  316    HA   GLU  45           HA       GLU  45  -6.235  -4.843   6.508
  317    HB2  GLU  45           1HB      GLU  45  -8.398  -5.181   7.745
  318    HB3  GLU  45           2HB      GLU  45  -8.064  -6.338   6.458
  319    HG2  GLU  45           1HG      GLU  45  -7.484  -8.076   8.041
  320    HG3  GLU  45           2HG      GLU  45  -7.490  -6.939   9.383
  321    H    ARG  46           H        ARG  46  -4.873  -6.179   9.431
  322    HA   ARG  46           HA       ARG  46  -5.288  -3.641  10.916
  323    HB2  ARG  46           1HB      ARG  46  -3.783  -6.053  11.915
  324    HB3  ARG  46           2HB      ARG  46  -4.559  -4.772  12.838
  325    HG2  ARG  46           1HG      ARG  46  -5.883  -7.096  11.400
  326    HG3  ARG  46           2HG      ARG  46  -5.900  -6.721  13.119
  327    HD2  ARG  46           1HD      ARG  46  -7.323  -4.716  12.659
  328    HD3  ARG  46           2HD      ARG  46  -7.244  -5.088  10.927
  329    HE   ARG  46           HE       ARG  46  -8.829  -6.672  11.107
  330   HH11  ARG  46          1HH1      ARG  46  -7.830  -6.086  14.464
  331   HH12  ARG  46          2HH1      ARG  46  -9.135  -7.061  15.074
  332   HH21  ARG  46          1HH2      ARG  46 -10.360  -7.826  11.881
  333   HH22  ARG  46          2HH2      ARG  46 -10.592  -8.073  13.605
  334    H    THR  47           H        THR  47  -3.019  -5.021   8.802
  335    HA   THR  47           HA       THR  47  -0.727  -3.427   9.838
  336    HB   THR  47           HB       THR  47  -0.816  -5.560   7.667
  337    HG1  THR  47           1HG      THR  47  -1.038  -6.345   9.791
  338   HG21  THR  47          3HG2      THR  47   1.712  -5.419   7.965
  339   HG22  THR  47          1HG2      THR  47   0.984  -4.020   7.147
  340   HG23  THR  47          2HG2      THR  47   1.445  -3.898   8.854
  341    H    SER  48           H        SER  48  -2.477  -3.974   6.737
  342    HA   SER  48           HA       SER  48  -1.261  -1.864   5.286
  343    HB2  SER  48           1HB      SER  48  -3.200  -2.005   3.791
  344    HB3  SER  48           2HB      SER  48  -2.554  -3.599   4.185
  345    HG   SER  48           HG       SER  48  -4.278  -4.018   5.478
  346    H    ARG  49           H        ARG  49  -3.972  -1.709   7.568
  347    HA   ARG  49           HA       ARG  49  -4.769   0.945   6.958
  348    HB2  ARG  49           1HB      ARG  49  -6.066   0.894   8.884
  349    HB3  ARG  49           2HB      ARG  49  -6.021  -0.751   8.289
  350    HG2  ARG  49           1HG      ARG  49  -5.756  -1.054  10.563
  351    HG3  ARG  49           2HG      ARG  49  -4.123  -1.179   9.957
  352    HD2  ARG  49           1HD      ARG  49  -4.419   0.087  12.145
  353    HD3  ARG  49           2HD      ARG  49  -3.499   0.900  10.910
  354    HE   ARG  49           HE       ARG  49  -6.375   1.564  11.070
  355   HH11  ARG  49          1HH1      ARG  49  -3.097   2.609  12.037
  356   HH12  ARG  49          2HH1      ARG  49  -3.563   4.304  11.897
  357   HH21  ARG  49          1HH2      ARG  49  -6.828   3.811  11.065
  358   HH22  ARG  49          2HH2      ARG  49  -5.537   4.924  11.470
  359    H    GLU  50           H        GLU  50  -1.946  -0.207   8.724
  360    HA   GLU  50           HA       GLU  50  -1.452   2.323  10.119
  361    HB2  GLU  50           1HB      GLU  50   0.471   0.051   9.461
  362    HB3  GLU  50           2HB      GLU  50   0.790   1.369  10.569
  363    HG2  GLU  50           1HG      GLU  50  -1.502  -0.591  11.008
  364    HG3  GLU  50           2HG      GLU  50   0.137  -0.892  11.562
  365    H    LEU  51           H        LEU  51  -0.412   0.762   7.129
  366    HA   LEU  51           HA       LEU  51   1.469   2.732   6.212
  367    HB2  LEU  51           1HB      LEU  51  -0.192   0.808   4.540
  368    HB3  LEU  51           2HB      LEU  51   1.384   1.484   4.156
  369    HG   LEU  51           HG       LEU  51   0.801  -0.570   6.340
  370   HD11  LEU  51          1HD1      LEU  51   0.566  -1.446   4.057
  371   HD12  LEU  51          2HD1      LEU  51   2.217  -0.903   3.676
  372   HD13  LEU  51          3HD1      LEU  51   1.942  -2.152   4.915
  373   HD21  LEU  51          3HD2      LEU  51   3.296  -0.757   6.449
  374   HD22  LEU  51          1HD2      LEU  51   3.402   0.682   5.406
  375   HD23  LEU  51          2HD2      LEU  51   2.680   0.792   7.028
  376    H    GLU  52           H        GLU  52  -1.971   2.129   5.506
  377    HA   GLU  52           HA       GLU  52  -2.462   4.309   3.790
  378    HB2  GLU  52           1HB      GLU  52  -3.923   2.273   4.284
  379    HB3  GLU  52           2HB      GLU  52  -4.378   3.051   5.792
  380    HG2  GLU  52           1HG      GLU  52  -6.131   3.460   4.258
  381    HG3  GLU  52           2HG      GLU  52  -5.304   4.985   4.458
  382    H    ASP  53           H        ASP  53  -2.271   4.261   7.349
  383    HA   ASP  53           HA       ASP  53  -3.518   6.885   7.676
  384    HB2  ASP  53           1HB      ASP  53  -3.443   4.832   9.282
  385    HB3  ASP  53           2HB      ASP  53  -1.851   5.405   9.738
  386    H    ALA  54           H        ALA  54  -0.261   5.533   7.576
  387    HA   ALA  54           HA       ALA  54   1.199   7.725   8.582
  388    HB1  ALA  54           1HB      ALA  54   2.102   5.528   8.477
  389    HB2  ALA  54           2HB      ALA  54   1.928   5.451   6.715
  390    HB3  ALA  54           3HB      ALA  54   3.125   6.558   7.437
  391    H    PHE  55           H        PHE  55   0.609   7.016   5.069
  392    HA   PHE  55           HA       PHE  55   1.938   9.457   4.264
  393    HB2  PHE  55           1HB      PHE  55   1.528   8.872   2.121
  394    HB3  PHE  55           2HB      PHE  55   1.420   7.291   2.859
  395    HD1  PHE  55           1HD      PHE  55  -0.844   6.243   3.253
  396    HD2  PHE  55           2HD      PHE  55  -0.339   9.893   1.029
  397    HE1  PHE  55           1HE      PHE  55  -3.086   5.933   2.225
  398    HE2  PHE  55           2HE      PHE  55  -2.582   9.578  -0.005
  399    HZ   PHE  55           HZ       PHE  55  -3.957   7.590   0.595
  400    H    SER  56           H        SER  56  -1.144   8.818   5.537
  401    HA   SER  56           HA       SER  56  -2.444  11.295   4.594
  402    HB2  SER  56           1HB      SER  56  -3.543   8.994   5.121
  403    HB3  SER  56           2HB      SER  56  -3.452   9.502   6.809
  404    HG   SER  56           HG       SER  56  -5.453  10.102   5.803
  405    H    LYS  57           H        LYS  57  -0.738  10.165   7.511
  406    HA   LYS  57           HA       LYS  57  -1.296  12.487   9.172
  407    HB2  LYS  57           1HB      LYS  57   0.745  10.240   9.203
  408    HB3  LYS  57           2HB      LYS  57   0.772  11.537  10.397
  409    HG2  LYS  57           1HG      LYS  57  -1.208  10.871  11.427
  410    HG3  LYS  57           2HG      LYS  57  -1.802  10.011  10.007
  411    HD2  LYS  57           1HD      LYS  57  -1.090   8.423  11.772
  412    HD3  LYS  57           2HD      LYS  57  -0.189   8.248  10.279
  413    HE2  LYS  57           1HE      LYS  57   1.551   8.117  11.769
  414    HE3  LYS  57           2HE      LYS  57   1.592   9.827  11.398
  415    HZ1  LYS  57           3HZ      LYS  57   1.679   9.491  13.793
  416    HZ2  LYS  57           1HZ      LYS  57   0.283  10.252  13.423
  417    HZ3  LYS  57           2HZ      LYS  57   0.272   8.659  13.790
  418    H    GLY  58           H        GLY  58   1.418  11.510   7.066
  419    HA2  GLY  58           1HA      GLY  58   2.381  13.381   5.699
  420    HA3  GLY  58           2HA      GLY  58   2.574  14.283   7.219
  421    H    LYS  59           H        LYS  59   3.264  11.157   8.134
  422    HA   LYS  59           HA       LYS  59   6.112  11.602   8.026
  423    HB2  LYS  59           1HB      LYS  59   6.238   9.210   8.864
  424    HB3  LYS  59           2HB      LYS  59   5.423  10.376   9.889
  425    HG2  LYS  59           1HG      LYS  59   3.261   9.528   9.391
  426    HG3  LYS  59           2HG      LYS  59   3.866   8.637   7.988
  427    HD2  LYS  59           1HD      LYS  59   3.363   7.158   9.902
  428    HD3  LYS  59           2HD      LYS  59   5.034   7.071   9.387
  429    HE2  LYS  59           1HE      LYS  59   5.700   8.564  11.272
  430    HE3  LYS  59           2HE      LYS  59   4.019   8.608  11.815
  431    HZ1  LYS  59           3HZ      LYS  59   5.271   6.927  13.021
  432    HZ2  LYS  59           1HZ      LYS  59   4.161   6.158  12.095
  433    HZ3  LYS  59           2HZ      LYS  59   5.726   6.180  11.643
  434    H    LYS  60           H        LYS  60   7.666  10.355   7.047
  435    HA   LYS  60           HA       LYS  60   7.002   9.690   4.219
  436    HB2  LYS  60           1HB      LYS  60   9.128  10.440   3.644
  437    HB3  LYS  60           2HB      LYS  60   8.551  11.575   4.851
  438    HG2  LYS  60           1HG      LYS  60   9.952  10.321   6.560
  439    HG3  LYS  60           2HG      LYS  60  10.605   9.364   5.223
  440    HD2  LYS  60           1HD      LYS  60  12.181  11.087   5.700
  441    HD3  LYS  60           2HD      LYS  60  11.418  11.484   4.154
  442    HE2  LYS  60           1HE      LYS  60   9.923  13.108   5.310
  443    HE3  LYS  60           2HE      LYS  60  10.657  12.681   6.862
  444    HZ1  LYS  60           3HZ      LYS  60  11.636  14.694   5.942
  445    HZ2  LYS  60           1HZ      LYS  60  12.776  13.528   6.016
  446    HZ3  LYS  60           2HZ      LYS  60  12.094  13.921   4.579
  447    H    ASN  61           H        ASN  61   7.361   7.986   6.966
  448    HA   ASN  61           HA       ASN  61   7.547   5.486   5.707
  449    HB2  ASN  61           1HB      ASN  61   9.612   4.570   6.595
  450    HB3  ASN  61           2HB      ASN  61   9.995   5.919   5.539
  451   HD21  ASN  61          2HD2      ASN  61  10.349   8.030   6.632
  452   HD22  ASN  61          1HD2      ASN  61  11.182   8.035   8.179
  453    H    THR  62           H        THR  62   7.011   3.847   7.115
  454    HA   THR  62           HA       THR  62   6.633   4.469  10.012
  455    HB   THR  62           HB       THR  62   4.545   5.028   8.686
  456    HG1  THR  62           1HG      THR  62   3.309   3.980  10.379
  457   HG21  THR  62          3HG2      THR  62   3.009   3.178   8.191
  458   HG22  THR  62          1HG2      THR  62   4.473   3.018   7.210
  459   HG23  THR  62          2HG2      THR  62   4.237   1.979   8.632
  460    H    GLU  63           H        GLU  63   5.580   2.342  11.047
  461    HA   GLU  63           HA       GLU  63   7.446   0.106  10.363
  462    HB2  GLU  63           1HB      GLU  63   6.901   1.492  13.018
  463    HB3  GLU  63           2HB      GLU  63   7.642  -0.107  12.898
  464    HG2  GLU  63           1HG      GLU  63   9.442   0.775  11.506
  465    HG3  GLU  63           2HG      GLU  63   8.748   2.394  11.556
  466    H    MET  64           H        MET  64   6.801  -1.923  10.781
  467    HA   MET  64           HA       MET  64   4.136  -2.519  11.916
  468    HB2  MET  64           1HB      MET  64   3.556  -3.814   9.831
  469    HB3  MET  64           2HB      MET  64   3.503  -2.059   9.670
  470    HG2  MET  64           1HG      MET  64   5.647  -2.033   8.527
  471    HG3  MET  64           2HG      MET  64   5.895  -3.751   8.856
  472    HE1  MET  64           3HE      MET  64   5.769  -3.676   5.082
  473    HE2  MET  64           1HE      MET  64   6.735  -3.135   6.469
  474    HE3  MET  64           2HE      MET  64   6.207  -4.835   6.359
  475    H    LEU  65           H        LEU  65   3.803  -4.602  12.494
  476    HA   LEU  65           HA       LEU  65   6.184  -6.355  12.712
  477    HB2  LEU  65           1HB      LEU  65   4.436  -5.395  14.668
  478    HB3  LEU  65           2HB      LEU  65   3.722  -6.943  14.301
  479    HG   LEU  65           HG       LEU  65   5.181  -7.095  16.190
  480   HD11  LEU  65          1HD1      LEU  65   5.133  -9.082  14.739
  481   HD12  LEU  65          2HD1      LEU  65   6.608  -8.504  13.925
  482   HD13  LEU  65          3HD1      LEU  65   6.650  -8.920  15.641
  483   HD21  LEU  65          3HD2      LEU  65   7.543  -6.567  16.162
  484   HD22  LEU  65          1HD2      LEU  65   7.484  -6.188  14.429
  485   HD23  LEU  65          2HD2      LEU  65   6.613  -5.163  15.587
  486    H    ILE  66           H        ILE  66   6.110  -8.401  12.077
  487    HA   ILE  66           HA       ILE  66   3.733  -9.392  10.508
  488    HB   ILE  66           HB       ILE  66   5.134 -10.312   8.864
  489   HG12  ILE  66          1HG1      ILE  66   7.668  -8.991   9.420
  490   HG13  ILE  66          2HG1      ILE  66   7.267 -10.015  10.777
  491   HG21  ILE  66          1HG2      ILE  66   4.297  -7.972   8.688
  492   HG22  ILE  66          2HG2      ILE  66   5.882  -7.390   9.227
  493   HG23  ILE  66          3HG2      ILE  66   5.727  -8.324   7.718
  494   HD11  ILE  66          3HD1      ILE  66   8.609 -11.081   8.858
  495   HD12  ILE  66          1HD1      ILE  66   7.232 -11.993   9.484
  496   HD13  ILE  66          2HD1      ILE  66   7.076 -11.097   7.970
  497    H    ALA  67           H        ALA  67   5.041 -11.937   9.912
  498    HA   ALA  67           HA       ALA  67   4.117 -13.540  12.015
  499    HB1  ALA  67           1HB      ALA  67   4.428 -14.215   9.635
  500    HB2  ALA  67           2HB      ALA  67   6.197 -14.126   9.850
  501    HB3  ALA  67           3HB      ALA  67   5.252 -15.337  10.739
  502    H    GLY  68           H        GLY  68   7.164 -11.880  11.938
  503    HA2  GLY  68           1HA      GLY  68   7.877 -12.709  14.568
  504    HA3  GLY  68           2HA      GLY  68   8.812 -13.654  13.431
  505    H    PHE  69           H        PHE  69   8.109 -10.344  12.472
  506    HA   PHE  69           HA       PHE  69  10.788  -9.365  13.239
  507    HB2  PHE  69           1HB      PHE  69   9.941  -9.794  10.341
  508    HB3  PHE  69           2HB      PHE  69  11.357  -8.911  10.850
  509    HD1  PHE  69           2HD      PHE  69  13.312 -10.061  11.860
  510    HD2  PHE  69           1HD      PHE  69   9.935 -12.259  10.316
  511    HE1  PHE  69           2HE      PHE  69  14.680 -12.131  11.804
  512    HE2  PHE  69           1HE      PHE  69  11.306 -14.322  10.257
  513    HZ   PHE  69           HZ       PHE  69  13.680 -14.264  11.002
  514    H    LEU  70           H        LEU  70  11.121  -7.150  12.822
  515    HA   LEU  70           HA       LEU  70   8.675  -5.495  12.398
  516    HB2  LEU  70           1HB      LEU  70  10.260  -5.195  14.430
  517    HB3  LEU  70           2HB      LEU  70  11.439  -4.616  13.268
  518    HG   LEU  70           HG       LEU  70  10.494  -2.755  14.356
  519   HD11  LEU  70          1HD1      LEU  70  10.763  -2.549  11.813
  520   HD12  LEU  70          2HD1      LEU  70   8.985  -2.654  11.745
  521   HD13  LEU  70          3HD1      LEU  70   9.761  -1.346  12.634
  522   HD21  LEU  70          3HD2      LEU  70   8.090  -2.183  14.339
  523   HD22  LEU  70          1HD2      LEU  70   7.726  -3.762  13.613
  524   HD23  LEU  70          2HD2      LEU  70   8.445  -3.670  15.237
  525    H    TYR  71           H        TYR  71   8.385  -4.666  10.489
  526    HA   TYR  71           HA       TYR  71  10.689  -4.171   8.643
  527    HB2  TYR  71           1HB      TYR  71   7.850  -4.886   7.942
  528    HB3  TYR  71           2HB      TYR  71   9.041  -4.317   6.776
  529    HD1  TYR  71           1HD      TYR  71  11.505  -5.870   7.644
  530    HD2  TYR  71           2HD      TYR  71   7.390  -7.067   7.154
  531    HE1  TYR  71           1HE      TYR  71  12.223  -8.211   7.329
  532    HE2  TYR  71           2HE      TYR  71   8.085  -9.400   6.947
  533    HH   TYR  71           HH       TYR  71  11.564 -10.377   7.020
  534    H    VAL  72           H        VAL  72  11.070  -2.232   8.023
  535    HA   VAL  72           HA       VAL  72   9.346   0.046   8.792
  536    HB   VAL  72           HB       VAL  72  12.007   0.091   7.323
  537   HG11  VAL  72          1HG1      VAL  72  10.642   2.155   7.048
  538   HG12  VAL  72          2HG1      VAL  72  10.493   2.284   8.817
  539   HG13  VAL  72          3HG1      VAL  72  12.074   2.461   8.040
  540   HG21  VAL  72          3HG2      VAL  72  13.025   0.769   9.483
  541   HG22  VAL  72          1HG2      VAL  72  11.494   0.400  10.305
  542   HG23  VAL  72          2HG2      VAL  72  12.426  -0.889   9.507
  543    H    ALA  73           H        ALA  73   7.865   0.712   7.373
  544    HA   ALA  73           HA       ALA  73   8.001  -0.033   4.483
  545    HB1  ALA  73           1HB      ALA  73   5.896  -0.558   5.631
  546    HB2  ALA  73           2HB      ALA  73   5.758   1.126   6.183
  547    HB3  ALA  73           3HB      ALA  73   5.663   0.747   4.448
  548    H    ASP  74           H        ASP  74   9.237   1.340   3.429
  549    HA   ASP  74           HA       ASP  74   9.540   4.174   4.126
  550    HB2  ASP  74           1HB      ASP  74  11.401   2.662   3.397
  551    HB3  ASP  74           2HB      ASP  74  10.644   2.560   1.810
  552    H    LEU  75           H        LEU  75   7.973   5.532   3.558
  553    HA   LEU  75           HA       LEU  75   6.132   4.968   1.339
  554    HB2  LEU  75           1HB      LEU  75   6.194   6.903   3.670
  555    HB3  LEU  75           2HB      LEU  75   5.149   7.207   2.303
  556    HG   LEU  75           HG       LEU  75   3.950   5.157   2.634
  557   HD11  LEU  75          1HD1      LEU  75   5.596   3.641   3.624
  558   HD12  LEU  75          2HD1      LEU  75   5.578   4.615   5.120
  559   HD13  LEU  75          3HD1      LEU  75   4.123   3.750   4.592
  560   HD21  LEU  75          3HD2      LEU  75   2.737   5.878   4.591
  561   HD22  LEU  75          1HD2      LEU  75   4.190   6.641   5.286
  562   HD23  LEU  75          2HD2      LEU  75   3.419   7.337   3.861
  563    H    GLU  76           H        GLU  76   9.114   6.596   1.571
  564    HA   GLU  76           HA       GLU  76   8.536   8.677  -0.443
  565    HB2  GLU  76           1HB      GLU  76  11.220   7.584   0.499
  566    HB3  GLU  76           2HB      GLU  76  10.929   8.979  -0.512
  567    HG2  GLU  76           1HG      GLU  76   9.702   9.976   1.493
  568    HG3  GLU  76           2HG      GLU  76  10.322   8.618   2.435
  569    H    ASN  77           H        ASN  77  10.389   5.659  -0.248
  570    HA   ASN  77           HA       ASN  77  10.841   5.519  -3.158
  571    HB2  ASN  77           1HB      ASN  77  11.828   3.873  -0.788
  572    HB3  ASN  77           2HB      ASN  77  12.372   3.667  -2.451
  573   HD21  ASN  77          2HD2      ASN  77  12.411   5.926   0.357
  574   HD22  ASN  77          1HD2      ASN  77  13.858   6.753  -0.199
  575    H    MET  78           H        MET  78   8.550   4.380  -1.002
  576    HA   MET  78           HA       MET  78   6.996   2.696  -0.879
  577    HB2  MET  78           1HB      MET  78   7.337   2.625  -3.893
  578    HB3  MET  78           2HB      MET  78   6.058   1.812  -2.995
  579    HG2  MET  78           1HG      MET  78   6.349   4.761  -2.533
  580    HG3  MET  78           2HG      MET  78   5.789   4.231  -4.107
  581    HE1  MET  78           3HE      MET  78   3.418   4.093  -0.197
  582    HE2  MET  78           1HE      MET  78   5.012   3.316  -0.236
  583    HE3  MET  78           2HE      MET  78   4.854   5.064  -0.567
  584    H    VAL  79           H        VAL  79   8.915   1.641   0.253
  585    HA   VAL  79           HA       VAL  79   9.122  -1.114  -0.828
  586    HB   VAL  79           HB       VAL  79  11.543  -1.326  -0.260
  587   HG11  VAL  79          1HG1      VAL  79  10.897  -1.084  -2.624
  588   HG12  VAL  79          2HG1      VAL  79  11.076   0.677  -2.494
  589   HG13  VAL  79          3HG1      VAL  79  12.485  -0.386  -2.265
  590   HG21  VAL  79          3HG2      VAL  79  12.981   0.646  -0.116
  591   HG22  VAL  79          1HG2      VAL  79  11.572   1.712  -0.177
  592   HG23  VAL  79          2HG2      VAL  79  11.818   0.621   1.207
  593    H    GLN  80           H        GLN  80   9.656  -2.742   0.686
  594    HA   GLN  80           HA       GLN  80   9.394  -1.939   3.568
  595    HB2  GLN  80           1HB      GLN  80   8.818  -4.239   4.039
  596    HB3  GLN  80           2HB      GLN  80   7.668  -3.533   2.909
  597    HG2  GLN  80           1HG      GLN  80   8.471  -4.796   1.075
  598    HG3  GLN  80           2HG      GLN  80   9.991  -5.203   1.867
  599   HE21  GLN  80          2HE2      GLN  80   9.403  -6.387   4.257
  600   HE22  GLN  80          1HE2      GLN  80   8.420  -7.805   3.928
  601    H    TYR  81           H        TYR  81  11.024  -2.516   5.020
  602    HA   TYR  81           HA       TYR  81  13.019  -4.502   4.366
  603    HB2  TYR  81           1HB      TYR  81  14.995  -3.015   4.618
  604    HB3  TYR  81           2HB      TYR  81  14.108  -2.867   3.135
  605    HD1  TYR  81           2HD      TYR  81  14.355  -1.158   6.506
  606    HD2  TYR  81           1HD      TYR  81  13.648  -0.795   2.267
  607    HE1  TYR  81           2HE      TYR  81  14.348   1.314   6.714
  608    HE2  TYR  81           1HE      TYR  81  13.677   1.663   2.454
  609    HH   TYR  81           HH       TYR  81  13.771   3.487   3.919
  610    H    ARG  82           H        ARG  82  14.576  -4.904   6.092
  611    HA   ARG  82           HA       ARG  82  13.348  -4.707   8.755
  612    HB2  ARG  82           1HB      ARG  82  14.277  -6.794   7.998
  613    HB3  ARG  82           2HB      ARG  82  15.829  -6.045   7.624
  614    HG2  ARG  82           1HG      ARG  82  16.273  -5.667  10.008
  615    HG3  ARG  82           2HG      ARG  82  14.665  -6.299  10.435
  616    HD2  ARG  82           1HD      ARG  82  15.256  -8.504   9.583
  617    HD3  ARG  82           2HD      ARG  82  16.785  -7.890   8.936
  618    HE   ARG  82           HE       ARG  82  16.170  -7.834  11.864
  619   HH11  ARG  82          1HH1      ARG  82  18.440  -8.907   9.296
  620   HH12  ARG  82          2HH1      ARG  82  19.561  -9.488  10.487
  621   HH21  ARG  82          1HH2      ARG  82  17.709  -8.590  13.270
  622   HH22  ARG  82          2HH2      ARG  82  19.173  -9.307  12.671
  623    H    ARG  83           H        ARG  83  14.014  -3.435  10.440
  624    HA   ARG  83           HA       ARG  83  15.128  -0.942  10.121
  625    HB2  ARG  83           1HB      ARG  83  15.105  -2.752  12.564
  626    HB3  ARG  83           2HB      ARG  83  15.703  -1.093  12.625
  627    HG2  ARG  83           1HG      ARG  83  13.543  -0.189  11.977
  628    HG3  ARG  83           2HG      ARG  83  12.903  -1.818  11.708
  629    HD2  ARG  83           1HD      ARG  83  12.155  -0.891  13.886
  630    HD3  ARG  83           2HD      ARG  83  13.076  -2.375  14.055
  631    HE   ARG  83           HE       ARG  83  14.846  -1.239  15.055
  632   HH11  ARG  83          1HH1      ARG  83  12.298   1.137  14.292
  633   HH12  ARG  83          2HH1      ARG  83  13.155   2.399  15.127
  634   HH21  ARG  83          1HH2      ARG  83  15.819   0.432  16.148
  635   HH22  ARG  83          2HH2      ARG  83  15.074   1.999  16.196
  636    H    ASN  84           H        ASN  84  17.007  -3.791  11.189
  637    HA   ASN  84           HA       ASN  84  19.510  -2.252  11.276
  638    HB2  ASN  84           1HB      ASN  84  18.685  -3.877  13.046
  639    HB3  ASN  84           2HB      ASN  84  19.045  -5.180  11.912
  640   HD21  ASN  84          2HD2      ASN  84  21.077  -6.063  12.247
  641   HD22  ASN  84          1HD2      ASN  84  22.444  -5.189  12.917
  642    H    GLU  85           H        GLU  85  17.971  -3.580   8.699
  643    HA   GLU  85           HA       GLU  85  20.405  -4.342   7.229
  644    HB2  GLU  85           1HB      GLU  85  19.532  -6.345   8.529
  645    HB3  GLU  85           2HB      GLU  85  18.071  -6.264   7.546
  646    HG2  GLU  85           1HG      GLU  85  19.432  -6.670   5.510
  647    HG3  GLU  85           2HG      GLU  85  20.903  -6.605   6.483
  648    H    HIS  86           H        HIS  86  19.181  -2.072   6.815
  649    HA   HIS  86           HA       HIS  86  16.748  -2.018   5.403
  650    HB2  HIS  86           1HB      HIS  86  17.322   0.340   5.023
  651    HB3  HIS  86           2HB      HIS  86  17.617  -0.172   6.685
  652    HD2  HIS  86           2HD      HIS  86  19.497   0.859   3.481
  653    HE1  HIS  86           1HE      HIS  86  22.378   0.796   6.614
  654    HE2  HIS  86           2HE      HIS  86  21.976   1.410   4.174
  655    H    GLY  87           H        GLY  87  19.873  -2.701   4.181
  656    HA2  GLY  87           1HA      GLY  87  19.559  -1.987   1.400
  657    HA3  GLY  87           2HA      GLY  87  20.700  -3.190   2.054
  658    H    ARG  88           H        ARG  88  18.695  -4.930   3.236
  659    HA   ARG  88           HA       ARG  88  17.672  -6.392   0.907
  660    HB2  ARG  88           1HB      ARG  88  17.626  -6.768   3.912
  661    HB3  ARG  88           2HB      ARG  88  16.461  -7.634   2.945
  662    HG2  ARG  88           1HG      ARG  88  19.478  -7.800   2.568
  663    HG3  ARG  88           2HG      ARG  88  18.487  -8.958   3.451
  664    HD2  ARG  88           1HD      ARG  88  18.441  -8.391   0.465
  665    HD3  ARG  88           2HD      ARG  88  18.936  -9.872   1.258
  666    HE   ARG  88           HE       ARG  88  16.257  -9.075   0.533
  667   HH11  ARG  88          1HH1      ARG  88  17.934 -11.160   2.907
  668   HH12  ARG  88          2HH1      ARG  88  16.441 -12.070   3.166
  669   HH21  ARG  88          1HH2      ARG  88  14.436 -10.322   1.095
  670   HH22  ARG  88          2HH2      ARG  88  14.644 -11.629   2.245
  671    H    ARG  89           H        ARG  89  16.155  -5.330  -0.186
  672    HA   ARG  89           HA       ARG  89  13.628  -4.638   1.157
  673    HB2  ARG  89           1HB      ARG  89  13.561  -2.384   0.397
  674    HB3  ARG  89           2HB      ARG  89  15.120  -2.614   1.173
  675    HG2  ARG  89           1HG      ARG  89  16.061  -3.033  -1.197
  676    HG3  ARG  89           2HG      ARG  89  14.513  -2.382  -1.787
  677    HD2  ARG  89           1HD      ARG  89  14.899  -0.295  -0.567
  678    HD3  ARG  89           2HD      ARG  89  16.392  -0.925   0.103
  679    HE   ARG  89           HE       ARG  89  15.971   0.218  -2.520
  680   HH11  ARG  89          1HH1      ARG  89  18.073  -2.185  -0.931
  681   HH12  ARG  89          2HH1      ARG  89  19.375  -1.860  -2.030
  682   HH21  ARG  89          1HH2      ARG  89  17.686   0.515  -3.904
  683   HH22  ARG  89          2HH2      ARG  89  19.154  -0.390  -3.694
  684    H    ARG  90           H        ARG  90  11.880  -4.085  -0.273
  685    HA   ARG  90           HA       ARG  90  11.997  -4.732  -3.108
  686    HB2  ARG  90           1HB      ARG  90  10.233  -6.522  -2.971
  687    HB3  ARG  90           2HB      ARG  90  11.840  -7.005  -2.432
  688    HG2  ARG  90           1HG      ARG  90  11.222  -6.921  -0.121
  689    HG3  ARG  90           2HG      ARG  90   9.688  -6.104  -0.479
  690    HD2  ARG  90           1HD      ARG  90   8.703  -8.001  -1.384
  691    HD3  ARG  90           2HD      ARG  90  10.243  -8.834  -1.645
  692    HE   ARG  90           HE       ARG  90   8.790  -8.459   0.931
  693   HH11  ARG  90          1HH1      ARG  90  11.546 -10.100  -0.721
  694   HH12  ARG  90          2HH1      ARG  90  11.845 -11.035   0.749
  695   HH21  ARG  90          1HH2      ARG  90   9.379  -9.801   2.646
  696   HH22  ARG  90          2HH2      ARG  90  10.799 -10.848   2.455
  697    H    LYS  91           H        LYS  91  10.158  -4.180  -4.242
  698    HA   LYS  91           HA       LYS  91   8.989  -1.767  -3.352
  699    HB2  LYS  91           1HB      LYS  91   9.154  -3.366  -5.790
  700    HB3  LYS  91           2HB      LYS  91   7.550  -2.707  -5.618
  701    HG2  LYS  91           1HG      LYS  91   9.991  -0.938  -5.282
  702    HG3  LYS  91           2HG      LYS  91   9.373  -1.330  -6.885
  703    HD2  LYS  91           1HD      LYS  91   7.562  -0.166  -4.753
  704    HD3  LYS  91           2HD      LYS  91   8.555   0.864  -5.786
  705    HE2  LYS  91           1HE      LYS  91   7.413   0.088  -7.771
  706    HE3  LYS  91           2HE      LYS  91   6.631  -1.227  -6.889
  707    HZ1  LYS  91           3HZ      LYS  91   5.099   0.609  -7.212
  708    HZ2  LYS  91           1HZ      LYS  91   5.395   0.420  -5.607
  709    HZ3  LYS  91           2HZ      LYS  91   6.092   1.653  -6.442
  710    H    ILE  92           H        ILE  92   7.040  -1.081  -2.817
  711    HA   ILE  92           HA       ILE  92   4.793  -3.017  -2.485
  712    HB   ILE  92           HB       ILE  92   4.041  -2.003  -0.488
  713   HG12  ILE  92          1HG1      ILE  92   6.086   0.141  -1.001
  714   HG13  ILE  92          2HG1      ILE  92   4.342   0.281  -0.869
  715   HG21  ILE  92          1HG2      ILE  92   5.921  -3.657  -0.322
  716   HG22  ILE  92          2HG2      ILE  92   7.036  -2.292  -0.099
  717   HG23  ILE  92          3HG2      ILE  92   5.733  -2.591   1.074
  718   HD11  ILE  92          3HD1      ILE  92   5.399   1.220   1.097
  719   HD12  ILE  92          1HD1      ILE  92   4.514  -0.249   1.571
  720   HD13  ILE  92          2HD1      ILE  92   6.291  -0.271   1.408
  721    H    LYS  93           H        LYS  93   2.643  -1.845  -2.392
  722    HA   LYS  93           HA       LYS  93   2.470   0.706  -3.801
  723    HB2  LYS  93           1HB      LYS  93   1.231  -0.075  -5.725
  724    HB3  LYS  93           2HB      LYS  93   2.775  -0.920  -5.685
  725    HG2  LYS  93           1HG      LYS  93   1.718  -2.943  -4.821
  726    HG3  LYS  93           2HG      LYS  93   0.171  -2.110  -4.615
  727    HD2  LYS  93           1HD      LYS  93  -0.030  -1.755  -7.016
  728    HD3  LYS  93           2HD      LYS  93   1.513  -2.593  -7.302
  729    HE2  LYS  93           1HE      LYS  93   0.647  -4.689  -6.605
  730    HE3  LYS  93           2HE      LYS  93  -0.700  -3.945  -5.725
  731    HZ1  LYS  93           3HZ      LYS  93  -1.393  -4.960  -7.837
  732    HZ2  LYS  93           1HZ      LYS  93  -1.752  -3.369  -7.739
  733    HZ3  LYS  93           2HZ      LYS  93  -0.489  -3.878  -8.674
  734    H    ARG  94           H        ARG  94   0.226   1.422  -4.135
  735    HA   ARG  94           HA       ARG  94  -1.738   0.360  -2.140
  736    HB2  ARG  94           1HB      ARG  94  -1.452   3.109  -3.424
  737    HB3  ARG  94           2HB      ARG  94  -2.914   2.560  -2.595
  738    HG2  ARG  94           1HG      ARG  94  -1.606   2.143  -0.538
  739    HG3  ARG  94           2HG      ARG  94  -0.156   2.780  -1.332
  740    HD2  ARG  94           1HD      ARG  94  -1.066   4.536   0.027
  741    HD3  ARG  94           2HD      ARG  94  -1.348   4.974  -1.648
  742    HE   ARG  94           HE       ARG  94  -3.364   4.051   0.374
  743   HH11  ARG  94          1HH1      ARG  94  -2.882   5.354  -2.902
  744   HH12  ARG  94          2HH1      ARG  94  -4.562   5.770  -3.054
  745   HH21  ARG  94          1HH2      ARG  94  -5.417   4.736   0.161
  746   HH22  ARG  94          2HH2      ARG  94  -5.999   5.379  -1.357
  747    H    ASP  95           H        ASP  95  -3.828  -0.018  -2.803
  748    HA   ASP  95           HA       ASP  95  -4.723   0.443  -5.557
  749    HB2  ASP  95           1HB      ASP  95  -3.911  -2.236  -4.581
  750    HB3  ASP  95           2HB      ASP  95  -5.576  -2.195  -5.131
  751    H    ILE  96           H        ILE  96  -7.064  -0.260  -5.777
  752    HA   ILE  96           HA       ILE  96  -8.612   0.256  -3.264
  753    HB   ILE  96           HB       ILE  96  -9.205   1.340  -6.046
  754   HG12  ILE  96          1HG1      ILE  96  -7.304   2.528  -4.971
  755   HG13  ILE  96          2HG1      ILE  96  -8.710   3.543  -5.229
  756   HG21  ILE  96          1HG2      ILE  96 -11.295   0.936  -4.912
  757   HG22  ILE  96          2HG2      ILE  96 -10.692   1.605  -3.383
  758   HG23  ILE  96          3HG2      ILE  96 -10.988   2.667  -4.776
  759   HD11  ILE  96          3HD1      ILE  96  -7.538   3.809  -2.980
  760   HD12  ILE  96          1HD1      ILE  96  -9.293   3.527  -2.917
  761   HD13  ILE  96          2HD1      ILE  96  -8.178   2.199  -2.566
  762    H    ILE  97           H        ILE  97 -10.241  -1.041  -2.927
  763    HA   ILE  97           HA       ILE  97 -10.769  -3.322  -4.764
  764    HB   ILE  97           HB       ILE  97 -11.889  -2.749  -2.022
  765   HG12  ILE  97          1HG1      ILE  97 -10.428  -4.916  -1.578
  766   HG13  ILE  97          2HG1      ILE  97  -9.485  -4.319  -2.938
  767   HG21  ILE  97          1HG2      ILE  97 -13.437  -4.082  -3.243
  768   HG22  ILE  97          2HG2      ILE  97 -12.150  -5.184  -3.800
  769   HG23  ILE  97          3HG2      ILE  97 -12.619  -5.119  -2.080
  770   HD11  ILE  97          3HD1      ILE  97  -8.944  -3.657  -0.433
  771   HD12  ILE  97          1HD1      ILE  97  -8.722  -2.470  -1.736
  772   HD13  ILE  97          2HD1      ILE  97 -10.162  -2.412  -0.679
  773    H    ASP  98           H        ASP  98 -12.631  -3.659  -5.854
  774    HA   ASP  98           HA       ASP  98 -14.495  -1.385  -6.064
  775    HB2  ASP  98           1HB      ASP  98 -13.287  -2.198  -8.068
  776    HB3  ASP  98           2HB      ASP  98 -14.089  -3.759  -7.905
  777    H    ILE  99           H        ILE  99 -14.522  -4.606  -4.931
  778    HA   ILE  99           HA       ILE  99 -15.944  -5.812  -3.685
  779    HB   ILE  99           HB       ILE  99 -17.957  -3.571  -3.879
  780   HG12  ILE  99          1HG1      ILE  99 -15.824  -2.794  -2.846
  781   HG13  ILE  99          2HG1      ILE  99 -17.192  -2.762  -1.756
  782   HG21  ILE  99          1HG2      ILE  99 -19.079  -5.585  -3.212
  783   HG22  ILE  99          2HG2      ILE  99 -17.857  -5.920  -1.970
  784   HG23  ILE  99          3HG2      ILE  99 -18.928  -4.514  -1.824
  785   HD11  ILE  99          3HD1      ILE  99 -15.076  -3.574  -0.706
  786   HD12  ILE  99          1HD1      ILE  99 -16.408  -4.730  -0.568
  787   HD13  ILE  99          2HD1      ILE  99 -15.119  -4.999  -1.759
  788    HA   PRO 100           HA       PRO 100 -18.126  -7.853  -7.036
  789    HB2  PRO 100           1HB      PRO 100 -18.545 -10.291  -5.922
  790    HB3  PRO 100           2HB      PRO 100 -16.902  -9.703  -6.302
  791    HG2  PRO 100           1HG      PRO 100 -18.352  -9.587  -3.627
  792    HG3  PRO 100           2HG      PRO 100 -16.705 -10.218  -3.959
  793    HD2  PRO 100           1HD      PRO 100 -17.157  -7.657  -3.079
  794    HD3  PRO 100           2HD      PRO 100 -15.825  -8.050  -4.206
  795    H    LYS 101           H        LYS 101 -20.213  -9.031  -7.397
  796    HA   LYS 101           HA       LYS 101 -22.457  -7.649  -6.255
  797    HB2  LYS 101           1HB      LYS 101 -23.820  -9.126  -7.620
  798    HB3  LYS 101           2HB      LYS 101 -22.456  -8.487  -8.534
  799    HG2  LYS 101           1HG      LYS 101 -21.265 -10.644  -8.337
  800    HG3  LYS 101           2HG      LYS 101 -22.527 -11.273  -7.278
  801    HD2  LYS 101           1HD      LYS 101 -22.825 -12.171  -9.516
  802    HD3  LYS 101           2HD      LYS 101 -24.182 -11.146  -9.067
  803    HE2  LYS 101           1HE      LYS 101 -23.667 -10.699 -11.360
  804    HE3  LYS 101           2HE      LYS 101 -23.215  -9.276 -10.424
  805    HZ1  LYS 101           3HZ      LYS 101 -21.513  -9.886 -12.049
  806    HZ2  LYS 101           1HZ      LYS 101 -20.895 -10.031 -10.545
  807    HZ3  LYS 101           2HZ      LYS 101 -21.331 -11.367 -11.385
  808    H    LYS 102           H        LYS 102 -20.747 -10.325  -5.026
  809    HA   LYS 102           HA       LYS 102 -22.875 -11.374  -3.295
  810    HB2  LYS 102           1HB      LYS 102 -20.995 -12.695  -4.307
  811    HB3  LYS 102           2HB      LYS 102 -19.859 -11.836  -3.260
  812    HG2  LYS 102           1HG      LYS 102 -20.996 -12.759  -1.259
  813    HG3  LYS 102           2HG      LYS 102 -22.186 -13.565  -2.283
  814    HD2  LYS 102           1HD      LYS 102 -19.179 -14.082  -2.246
  815    HD3  LYS 102           2HD      LYS 102 -20.382 -15.075  -1.433
  816    HE2  LYS 102           1HE      LYS 102 -20.202 -14.663  -4.458
  817    HE3  LYS 102           2HE      LYS 102 -19.547 -16.043  -3.578
  818    HZ1  LYS 102           3HZ      LYS 102 -21.710 -16.569  -4.491
  819    HZ2  LYS 102           1HZ      LYS 102 -21.804 -16.594  -2.861
  820    HZ3  LYS 102           2HZ      LYS 102 -22.426 -15.334  -3.698
  821    H    GLY 103           H        GLY 103 -20.845  -8.622  -3.152
  822    HA2  GLY 103           1HA      GLY 103 -20.316  -8.454  -0.320
  823    HA3  GLY 103           2HA      GLY 103 -20.117  -7.172  -1.532
  824    H    VAL 104           H        VAL 104 -22.893  -8.954  -0.174
  825    HA   VAL 104           HA       VAL 104 -24.719  -6.723  -0.220
  826    HB   VAL 104           HB       VAL 104 -24.849  -9.349   1.320
  827   HG11  VAL 104          1HG1      VAL 104 -26.376  -7.767   2.399
  828   HG12  VAL 104          2HG1      VAL 104 -27.034  -7.271   0.822
  829   HG13  VAL 104          3HG1      VAL 104 -27.315  -8.911   1.444
  830   HG21  VAL 104          3HG2      VAL 104 -26.422 -10.024  -0.482
  831   HG22  VAL 104          1HG2      VAL 104 -26.138  -8.480  -1.312
  832   HG23  VAL 104          2HG2      VAL 104 -24.825  -9.661  -1.137
  833    H    SER 105           H        SER 105 -25.164  -5.167   1.247
  834    HA   SER 105           HA       SER 105 -23.165  -4.611   3.260
  835    HB2  SER 105           1HB      SER 105 -24.395  -2.444   3.403
  836    HB3  SER 105           2HB      SER 105 -23.893  -2.891   1.768
  837    HG   SER 105           HG       SER 105 -26.080  -2.123   1.849
  838    H    GLY 106           H        GLY 106 -25.891  -6.479   3.642
  839    HA2  GLY 106           1HA      GLY 106 -27.029  -5.523   6.083
  840    HA3  GLY 106           2HA      GLY 106 -27.143  -7.170   5.471
  841    HA   PRO 107           HA       PRO 107 -23.711  -6.551   8.942
  842    HB2  PRO 107           1HB      PRO 107 -25.995  -6.811  10.908
  843    HB3  PRO 107           2HB      PRO 107 -24.424  -5.970  11.108
  844    HG2  PRO 107           1HG      PRO 107 -26.653  -4.549  10.544
  845    HG3  PRO 107           2HG      PRO 107 -25.123  -4.178   9.683
  846    HD2  PRO 107           1HD      PRO 107 -27.478  -5.820   8.710
  847    HD3  PRO 107           2HD      PRO 107 -26.527  -4.562   7.856
  848    H    SER 108           H        SER 108 -22.725  -8.372   9.787
  849    HA   SER 108           HA       SER 108 -23.983 -10.990   9.355
  850    HB2  SER 108           1HB      SER 108 -21.685 -11.800   9.889
  851    HB3  SER 108           2HB      SER 108 -21.752 -10.652   8.547
  852    HG   SER 108           HG       SER 108 -20.031 -10.184  10.027
  853    H    SER 109           H        SER 109 -24.190  -8.910  11.896
  854    HA   SER 109           HA       SER 109 -23.485 -10.479  14.162
  855    HB2  SER 109           1HB      SER 109 -25.462  -8.176  14.026
  856    HB3  SER 109           2HB      SER 109 -24.549  -8.724  15.443
  857    HG   SER 109           HG       SER 109 -23.570  -6.888  14.469
  858    H    GLY 110           H        GLY 110 -26.173 -10.993  12.169
  859    HA2  GLY 110           1HA      GLY 110 -27.322 -13.063  13.740
  860    HA3  GLY 110           2HA      GLY 110 -28.293 -11.611  13.984
  861   H5'1  ATP 201          H5"       ATP 111  11.793 -14.081   5.268
  862   H5'2  ATP 201          H5'       ATP 111  11.216 -12.427   5.389
  863    H4'  ATP 201           H4'      ATP 111  10.294 -14.421   6.888
  864    H3'  ATP 201           H3'      ATP 111   9.312 -15.503   4.590
  865   HO3'  ATP 201          H3T       ATP 111   7.455 -16.144   6.075
  866    H2'  ATP 201           H2'      ATP 111   8.063 -13.622   3.882
  867   HO2'  ATP 201          2HO       ATP 111   6.486 -15.284   4.013
  868    H1'  ATP 201           H1'      ATP 111   6.948 -13.058   6.605
  869    H8   ATP 201           8H       ATP 111   9.451 -11.105   4.423
  870   HN61  ATP 201          2H6       ATP 111   6.205  -7.644   2.834
  871   HN62  ATP 201          1H6       ATP 111   4.571  -7.326   3.417
  872    H2   ATP 201           2H       ATP 111   3.457 -10.146   6.433
  Start of MODEL   18
    1    HA   PRO   1           HA       PRO   1 -33.026  13.381 -14.733
    2    HB2  PRO   1           1HB      PRO   1 -32.752  12.340 -11.907
    3    HB3  PRO   1           2HB      PRO   1 -31.491  12.594 -13.151
    4    HG2  PRO   1           1HG      PRO   1 -32.359  14.438 -11.101
    5    HG3  PRO   1           2HG      PRO   1 -31.230  14.808 -12.437
    6    HD2  PRO   1           1HD      PRO   1 -33.738  15.980 -12.193
    7    HD3  PRO   1           2HD      PRO   1 -32.863  15.765 -13.728
    8    H    SER   2           H        SER   2 -32.888  11.051 -15.194
    9    HA   SER   2           HA       SER   2 -35.521   9.740 -15.098
   10    HB2  SER   2           1HB      SER   2 -34.426   8.204 -16.731
   11    HB3  SER   2           2HB      SER   2 -34.411   9.905 -17.214
   12    HG   SER   2           HG       SER   2 -32.360   8.873 -17.537
   13    H    SER   3           H        SER   3 -32.939   9.664 -12.983
   14    HA   SER   3           HA       SER   3 -33.772   7.213 -11.673
   15    HB2  SER   3           1HB      SER   3 -32.255   6.420 -13.562
   16    HB3  SER   3           2HB      SER   3 -30.935   7.285 -12.760
   17    HG   SER   3           HG       SER   3 -31.087   5.030 -12.171
   18    H    GLY   4           H        GLY   4 -32.064   6.776  -9.814
   19    HA2  GLY   4           1HA      GLY   4 -30.789   7.611  -7.998
   20    HA3  GLY   4           2HA      GLY   4 -31.011   9.271  -8.582
   21    H    SER   5           H        SER   5 -31.584   9.951  -6.487
   22    HA   SER   5           HA       SER   5 -34.389   9.713  -5.755
   23    HB2  SER   5           1HB      SER   5 -33.373   7.613  -4.792
   24    HB3  SER   5           2HB      SER   5 -32.329   8.637  -3.794
   25    HG   SER   5           HG       SER   5 -34.290   7.949  -2.725
   26    H    SER   6           H        SER   6 -34.882  11.057  -3.798
   27    HA   SER   6           HA       SER   6 -33.526  13.637  -4.006
   28    HB2  SER   6           1HB      SER   6 -35.816  12.766  -2.208
   29    HB3  SER   6           2HB      SER   6 -35.321  14.430  -2.563
   30    HG   SER   6           HG       SER   6 -37.113  13.755  -3.858
   31    H    GLY   7           H        GLY   7 -32.828  10.958  -2.091
   32    HA2  GLY   7           1HA      GLY   7 -31.130  12.537  -0.256
   33    HA3  GLY   7           2HA      GLY   7 -32.358  11.531   0.495
   34    H    PHE   8           H        PHE   8 -29.704  11.168   1.042
   35    HA   PHE   8           HA       PHE   8 -28.962   8.574  -0.197
   36    HB2  PHE   8           1HB      PHE   8 -26.723   9.355  -0.188
   37    HB3  PHE   8           2HB      PHE   8 -27.692  10.593  -0.952
   38    HD1  PHE   8           2HD      PHE   8 -28.125  12.766   0.219
   39    HD2  PHE   8           1HD      PHE   8 -25.517   9.764   1.888
   40    HE1  PHE   8           2HE      PHE   8 -27.184  14.448   1.785
   41    HE2  PHE   8           1HE      PHE   8 -24.580  11.446   3.451
   42    HZ   PHE   8           HZ       PHE   8 -25.413  13.791   3.405
   43    H    LEU   9           H        LEU   9 -27.115   7.586   1.210
   44    HA   LEU   9           HA       LEU   9 -27.454   7.907   4.118
   45    HB2  LEU   9           1HB      LEU   9 -29.111   6.175   3.449
   46    HB3  LEU   9           2HB      LEU   9 -27.837   5.265   2.638
   47    HG   LEU   9           HG       LEU   9 -26.713   4.884   4.829
   48   HD11  LEU   9          1HD1      LEU   9 -27.476   6.851   6.110
   49   HD12  LEU   9          2HD1      LEU   9 -29.159   6.289   6.004
   50   HD13  LEU   9          3HD1      LEU   9 -27.959   5.366   6.934
   51   HD21  LEU   9          3HD2      LEU   9 -28.360   3.278   5.697
   52   HD22  LEU   9          1HD2      LEU   9 -29.651   4.071   4.767
   53   HD23  LEU   9          2HD2      LEU   9 -28.321   3.243   3.928
   54    H    ASP  10           H        ASP  10 -25.581   7.530   5.228
   55    HA   ASP  10           HA       ASP  10 -23.190   6.383   3.968
   56    HB2  ASP  10           1HB      ASP  10 -23.510   8.797   3.161
   57    HB3  ASP  10           2HB      ASP  10 -23.288   9.277   4.845
   58    H    LYS  11           H        LYS  11 -21.277   6.798   5.478
   59    HA   LYS  11           HA       LYS  11 -21.965   6.437   8.354
   60    HB2  LYS  11           1HB      LYS  11 -20.662   4.531   6.385
   61    HB3  LYS  11           2HB      LYS  11 -20.152   4.482   8.052
   62    HG2  LYS  11           1HG      LYS  11 -23.005   4.525   8.178
   63    HG3  LYS  11           2HG      LYS  11 -22.603   3.445   6.837
   64    HD2  LYS  11           1HD      LYS  11 -21.082   2.175   8.372
   65    HD3  LYS  11           2HD      LYS  11 -21.538   3.283   9.693
   66    HE2  LYS  11           1HE      LYS  11 -23.917   2.603   9.434
   67    HE3  LYS  11           2HE      LYS  11 -23.467   1.503   8.124
   68    HZ1  LYS  11           3HZ      LYS  11 -23.663   0.330  10.234
   69    HZ2  LYS  11           1HZ      LYS  11 -22.114   0.262   9.723
   70    HZ3  LYS  11           2HZ      LYS  11 -22.533   1.278  10.935
   71    HA   PRO  12           HA       PRO  12 -18.497   8.882   9.282
   72    HB2  PRO  12           1HB      PRO  12 -17.539   7.899  11.647
   73    HB3  PRO  12           2HB      PRO  12 -19.138   8.669  11.477
   74    HG2  PRO  12           1HG      PRO  12 -18.450   5.715  11.422
   75    HG3  PRO  12           2HG      PRO  12 -19.727   6.516  12.397
   76    HD2  PRO  12           1HD      PRO  12 -20.266   5.289  10.017
   77    HD3  PRO  12           2HD      PRO  12 -21.135   6.755  10.504
   78    H    THR  13           H        THR  13 -16.179   8.878   9.965
   79    HA   THR  13           HA       THR  13 -14.333   6.856   9.064
   80    HB   THR  13           HB       THR  13 -15.391   7.482   6.884
   81    HG1  THR  13           1HG      THR  13 -13.505   7.427   5.919
   82   HG21  THR  13          3HG2      THR  13 -15.148   9.631   5.933
   83   HG22  THR  13          1HG2      THR  13 -15.800   9.923   7.539
   84   HG23  THR  13          2HG2      THR  13 -14.071  10.198   7.232
   85    H    LEU  14           H        LEU  14 -12.195   7.835   8.610
   86    HA   LEU  14           HA       LEU  14 -11.533   9.866  10.713
   87    HB2  LEU  14           1HB      LEU  14  -9.781   7.663   9.561
   88    HB3  LEU  14           2HB      LEU  14  -9.409   8.706  10.919
   89    HG   LEU  14           HG       LEU  14 -11.918   7.372  11.531
   90   HD11  LEU  14          1HD1      LEU  14 -11.285   5.707   9.829
   91   HD12  LEU  14          2HD1      LEU  14  -9.729   5.449  10.651
   92   HD13  LEU  14          3HD1      LEU  14 -11.252   5.024  11.465
   93   HD21  LEU  14          3HD2      LEU  14 -10.650   6.471  13.425
   94   HD22  LEU  14          1HD2      LEU  14  -9.117   6.940  12.655
   95   HD23  LEU  14          2HD2      LEU  14 -10.271   8.187  13.183
   96    H    LEU  15           H        LEU  15 -11.803   9.537   7.394
   97    HA   LEU  15           HA       LEU  15  -9.401  11.113   6.676
   98    HB2  LEU  15           1HB      LEU  15 -11.546  10.077   4.805
   99    HB3  LEU  15           2HB      LEU  15  -9.925  10.603   4.405
  100    HG   LEU  15           HG       LEU  15 -10.677   8.053   5.894
  101   HD11  LEU  15          1HD1      LEU  15 -11.117   8.052   3.457
  102   HD12  LEU  15          2HD1      LEU  15  -9.429   8.513   3.150
  103   HD13  LEU  15          3HD1      LEU  15  -9.807   6.940   3.886
  104   HD21  LEU  15          3HD2      LEU  15  -8.261   7.472   5.751
  105   HD22  LEU  15          1HD2      LEU  15  -7.909   9.112   5.162
  106   HD23  LEU  15          2HD2      LEU  15  -8.545   8.858   6.805
  107    H    SER  16           H        SER  16  -9.962  12.562   4.668
  108    HA   SER  16           HA       SER  16 -11.590  14.826   5.610
  109    HB2  SER  16           1HB      SER  16  -9.410  14.376   3.571
  110    HB3  SER  16           2HB      SER  16 -10.309  15.845   3.619
  111    HG   SER  16           HG       SER  16  -8.365  15.972   4.890
  112    HA   PRO  17           HA       PRO  17 -14.797  14.344   2.557
  113    HB2  PRO  17           1HB      PRO  17 -15.291  16.926   1.778
  114    HB3  PRO  17           2HB      PRO  17 -15.754  16.264   3.375
  115    HG2  PRO  17           1HG      PRO  17 -13.282  17.882   2.677
  116    HG3  PRO  17           2HG      PRO  17 -14.414  18.122   4.047
  117    HD2  PRO  17           1HD      PRO  17 -12.074  16.777   4.359
  118    HD3  PRO  17           2HD      PRO  17 -13.565  16.267   5.217
  119    H    GLU  18           H        GLU  18 -11.772  15.909   1.692
  120    HA   GLU  18           HA       GLU  18 -12.241  15.700  -1.191
  121    HB2  GLU  18           1HB      GLU  18  -9.667  16.391   0.282
  122    HB3  GLU  18           2HB      GLU  18 -10.061  16.715  -1.411
  123    HG2  GLU  18           1HG      GLU  18 -11.945  18.215  -0.591
  124    HG3  GLU  18           2HG      GLU  18 -11.319  18.003   1.050
  125    H    GLU  19           H        GLU  19 -11.183  13.496   1.193
  126    HA   GLU  19           HA       GLU  19  -9.444  11.895  -0.589
  127    HB2  GLU  19           1HB      GLU  19 -10.346  11.690   2.303
  128    HB3  GLU  19           2HB      GLU  19  -9.597  10.339   1.494
  129    HG2  GLU  19           1HG      GLU  19  -8.385  13.106   1.856
  130    HG3  GLU  19           2HG      GLU  19  -8.038  11.686   2.853
  131    H    LEU  20           H        LEU  20 -12.434  11.567   1.279
  132    HA   LEU  20           HA       LEU  20 -13.289   9.032   0.373
  133    HB2  LEU  20           1HB      LEU  20 -14.980  11.423   1.199
  134    HB3  LEU  20           2HB      LEU  20 -15.500   9.750   1.266
  135    HG   LEU  20           HG       LEU  20 -13.032  10.562   2.848
  136   HD11  LEU  20          1HD1      LEU  20 -14.773  12.284   3.191
  137   HD12  LEU  20          2HD1      LEU  20 -15.860  11.027   3.818
  138   HD13  LEU  20          3HD1      LEU  20 -14.316  11.399   4.653
  139   HD21  LEU  20          3HD2      LEU  20 -13.712   8.800   4.320
  140   HD22  LEU  20          1HD2      LEU  20 -15.258   8.589   3.465
  141   HD23  LEU  20          2HD2      LEU  20 -13.722   8.168   2.669
  142    H    LYS  21           H        LYS  21 -14.278  12.273  -0.784
  143    HA   LYS  21           HA       LYS  21 -15.841  11.306  -3.006
  144    HB2  LYS  21           1HB      LYS  21 -14.606  13.968  -2.295
  145    HB3  LYS  21           2HB      LYS  21 -15.291  13.730  -3.887
  146    HG2  LYS  21           1HG      LYS  21 -16.865  14.775  -2.293
  147    HG3  LYS  21           2HG      LYS  21 -17.472  13.318  -3.081
  148    HD2  LYS  21           1HD      LYS  21 -17.218  12.007  -1.054
  149    HD3  LYS  21           2HD      LYS  21 -16.298  13.295  -0.279
  150    HE2  LYS  21           1HE      LYS  21 -18.509  13.322   0.645
  151    HE3  LYS  21           2HE      LYS  21 -18.296  14.775  -0.333
  152    HZ1  LYS  21           3HZ      LYS  21 -20.443  13.715  -0.734
  153    HZ2  LYS  21           1HZ      LYS  21 -19.562  13.683  -2.107
  154    HZ3  LYS  21           2HZ      LYS  21 -19.734  12.324  -1.208
  155    H    ALA  22           H        ALA  22 -12.345  11.768  -2.752
  156    HA   ALA  22           HA       ALA  22 -11.867  11.505  -5.630
  157    HB1  ALA  22           1HB      ALA  22 -10.310  12.758  -4.219
  158    HB2  ALA  22           2HB      ALA  22  -9.987  11.324  -3.225
  159    HB3  ALA  22           3HB      ALA  22  -9.493  11.356  -4.928
  160    H    ALA  23           H        ALA  23 -11.633   9.287  -2.804
  161    HA   ALA  23           HA       ALA  23 -10.888   6.959  -4.301
  162    HB1  ALA  23           1HB      ALA  23 -10.608   7.224  -1.847
  163    HB2  ALA  23           2HB      ALA  23 -12.373   7.220  -1.638
  164    HB3  ALA  23           3HB      ALA  23 -11.541   5.768  -2.236
  165    H    SER  24           H        SER  24 -14.112   8.138  -3.258
  166    HA   SER  24           HA       SER  24 -15.614   5.956  -4.325
  167    HB2  SER  24           1HB      SER  24 -16.305   7.629  -2.581
  168    HB3  SER  24           2HB      SER  24 -16.577   8.800  -3.882
  169    HG   SER  24           HG       SER  24 -18.135   7.311  -4.760
  170    H    ARG  25           H        ARG  25 -14.212   8.690  -6.007
  171    HA   ARG  25           HA       ARG  25 -15.866   8.541  -8.369
  172    HB2  ARG  25           1HB      ARG  25 -14.367  10.463  -7.607
  173    HB3  ARG  25           2HB      ARG  25 -12.998   9.520  -8.184
  174    HG2  ARG  25           1HG      ARG  25 -13.639  11.153  -9.833
  175    HG3  ARG  25           2HG      ARG  25 -13.968   9.549 -10.487
  176    HD2  ARG  25           1HD      ARG  25 -16.372   9.827 -10.007
  177    HD3  ARG  25           2HD      ARG  25 -16.048  11.380  -9.207
  178    HE   ARG  25           HE       ARG  25 -15.013  11.452 -11.862
  179   HH11  ARG  25          1HH1      ARG  25 -18.163  11.471 -10.251
  180   HH12  ARG  25          2HH1      ARG  25 -18.926  12.337 -11.550
  181   HH21  ARG  25          1HH2      ARG  25 -16.059  12.568 -13.504
  182   HH22  ARG  25          2HH2      ARG  25 -17.749  12.947 -13.366
  183    H    GLY  26           H        GLY  26 -13.135   6.701  -7.198
  184    HA2  GLY  26           1HA      GLY  26 -12.742   5.169  -9.723
  185    HA3  GLY  26           2HA      GLY  26 -11.852   4.982  -8.189
  186    H    ASN  27           H        ASN  27 -13.484   4.424  -6.302
  187    HA   ASN  27           HA       ASN  27 -15.744   2.754  -6.962
  188    HB2  ASN  27           1HB      ASN  27 -13.816   1.203  -7.502
  189    HB3  ASN  27           2HB      ASN  27 -13.334   1.284  -5.811
  190   HD21  ASN  27          2HD2      ASN  27 -15.458  -0.214  -8.111
  191   HD22  ASN  27          1HD2      ASN  27 -16.326  -1.202  -6.960
  192    H    GLY  28           H        GLY  28 -13.338   3.609  -4.468
  193    HA2  GLY  28           1HA      GLY  28 -14.045   4.826  -2.484
  194    HA3  GLY  28           2HA      GLY  28 -15.492   3.805  -2.379
  195    H    GLU  29           H        GLU  29 -13.293   1.597  -3.165
  196    HA   GLU  29           HA       GLU  29 -12.529   0.902  -0.391
  197    HB2  GLU  29           1HB      GLU  29 -13.255  -0.571  -2.765
  198    HB3  GLU  29           2HB      GLU  29 -11.611  -0.972  -2.354
  199    HG2  GLU  29           1HG      GLU  29 -13.205  -2.507  -1.248
  200    HG3  GLU  29           2HG      GLU  29 -12.257  -1.600  -0.076
  201    H    TYR  30           H        TYR  30 -10.311  -0.406  -0.431
  202    HA   TYR  30           HA       TYR  30  -8.121   0.614  -1.961
  203    HB2  TYR  30           1HB      TYR  30  -6.981   1.913  -0.304
  204    HB3  TYR  30           2HB      TYR  30  -8.558   2.621  -0.577
  205    HD1  TYR  30           1HD      TYR  30 -10.464   1.968   1.090
  206    HD2  TYR  30           2HD      TYR  30  -6.288   1.233   1.865
  207    HE1  TYR  30           1HE      TYR  30 -10.952   1.788   3.534
  208    HE2  TYR  30           2HE      TYR  30  -6.771   1.016   4.301
  209    HH   TYR  30           HH       TYR  30 -10.082   1.410   5.632
  210    H    ALA  31           H        ALA  31  -6.173  -0.387  -1.532
  211    HA   ALA  31           HA       ALA  31  -5.794  -2.163   0.774
  212    HB1  ALA  31           1HB      ALA  31  -6.963  -3.733  -0.573
  213    HB2  ALA  31           2HB      ALA  31  -6.192  -3.180  -2.074
  214    HB3  ALA  31           3HB      ALA  31  -5.265  -4.098  -0.862
  215    H    TRP  32           H        TRP  32  -3.667  -2.948   0.953
  216    HA   TRP  32           HA       TRP  32  -1.598  -1.625  -0.759
  217    HB2  TRP  32           1HB      TRP  32  -1.508  -2.402   2.174
  218    HB3  TRP  32           2HB      TRP  32  -0.079  -2.059   1.214
  219    HD1  TRP  32           HD       TRP  32  -3.354  -0.169   2.060
  220    HE1  TRP  32           1HE      TRP  32  -2.837   2.324   2.283
  221    HE3  TRP  32           3HE      TRP  32   1.674  -0.295   0.999
  222    HZ2  TRP  32           2HZ      TRP  32  -0.470   3.996   2.353
  223    HZ3  TRP  32           3HZ      TRP  32   3.014   1.786   1.139
  224    HH2  TRP  32           HH       TRP  32   1.959   3.925   1.846
  225    H    TYR  33           H        TYR  33   0.120  -2.859  -1.435
  226    HA   TYR  33           HA       TYR  33   0.026  -5.811  -1.045
  227    HB2  TYR  33           1HB      TYR  33   0.144  -4.320  -3.685
  228    HB3  TYR  33           2HB      TYR  33   0.619  -5.993  -3.517
  229    HD1  TYR  33           2HD      TYR  33  -2.318  -3.687  -3.099
  230    HD2  TYR  33           1HD      TYR  33  -0.940  -7.722  -3.757
  231    HE1  TYR  33           2HE      TYR  33  -4.656  -4.415  -3.529
  232    HE2  TYR  33           1HE      TYR  33  -3.271  -8.448  -4.202
  233    HH   TYR  33           HH       TYR  33  -5.475  -7.802  -4.379
  234    H    TYR  34           H        TYR  34   1.996  -6.894  -1.445
  235    HA   TYR  34           HA       TYR  34   4.450  -5.245  -1.810
  236    HB2  TYR  34           1HB      TYR  34   5.570  -6.352  -0.023
  237    HB3  TYR  34           2HB      TYR  34   4.120  -5.611   0.616
  238    HD1  TYR  34           2HD      TYR  34   2.137  -7.061   1.245
  239    HD2  TYR  34           1HD      TYR  34   5.945  -8.730   0.100
  240    HE1  TYR  34           2HE      TYR  34   1.487  -9.234   2.261
  241    HE2  TYR  34           1HE      TYR  34   5.304 -10.903   1.116
  242    HH   TYR  34           HH       TYR  34   3.677 -12.084   2.238
  243    H    GLU  35           H        GLU  35   6.195  -6.250  -2.675
  244    HA   GLU  35           HA       GLU  35   5.556  -8.437  -4.505
  245    HB2  GLU  35           1HB      GLU  35   7.168  -6.119  -4.539
  246    HB3  GLU  35           2HB      GLU  35   8.327  -7.431  -4.573
  247    HG2  GLU  35           1HG      GLU  35   5.905  -7.232  -6.403
  248    HG3  GLU  35           2HG      GLU  35   7.467  -6.519  -6.793
  249    H    GLY  36           H        GLY  36   5.480 -10.366  -3.559
  250    HA2  GLY  36           1HA      GLY  36   7.318 -11.169  -1.388
  251    HA3  GLY  36           2HA      GLY  36   5.919 -12.056  -2.015
  252    H    ARG  37           H        ARG  37   6.926 -13.998  -2.234
  253    HA   ARG  37           HA       ARG  37   9.412 -14.276  -3.801
  254    HB2  ARG  37           1HB      ARG  37   7.656 -16.392  -2.499
  255    HB3  ARG  37           2HB      ARG  37   9.297 -16.618  -3.115
  256    HG2  ARG  37           1HG      ARG  37   8.440 -14.961  -0.709
  257    HG3  ARG  37           2HG      ARG  37   9.352 -16.471  -0.705
  258    HD2  ARG  37           1HD      ARG  37  11.238 -15.325  -1.872
  259    HD3  ARG  37           2HD      ARG  37  10.317 -13.808  -1.829
  260    HE   ARG  37           HE       ARG  37  10.739 -15.111   0.774
  261   HH11  ARG  37          1HH1      ARG  37  12.060 -12.600  -1.435
  262   HH12  ARG  37          2HH1      ARG  37  12.938 -11.896  -0.061
  263   HH21  ARG  37          1HH2      ARG  37  12.025 -14.059   2.324
  264   HH22  ARG  37          2HH2      ARG  37  12.930 -12.631   1.803
  265    H    ASN  38           H        ASN  38   6.014 -14.676  -4.352
  266    HA   ASN  38           HA       ASN  38   6.507 -15.870  -7.058
  267    HB2  ASN  38           1HB      ASN  38   4.284 -16.424  -5.065
  268    HB3  ASN  38           2HB      ASN  38   4.276 -16.995  -6.731
  269   HD21  ASN  38          2HD2      ASN  38   4.994 -18.003  -3.637
  270   HD22  ASN  38          1HD2      ASN  38   6.173 -19.237  -4.042
  271    H    GLY  39           H        GLY  39   5.331 -13.062  -5.596
  272    HA2  GLY  39           1HA      GLY  39   4.801 -11.542  -7.756
  273    HA3  GLY  39           2HA      GLY  39   3.274 -12.395  -7.594
  274    H    TRP  40           H        TRP  40   2.609 -10.039  -7.350
  275    HA   TRP  40           HA       TRP  40   2.978  -8.706  -4.828
  276    HB2  TRP  40           1HB      TRP  40   0.751  -8.485  -6.882
  277    HB3  TRP  40           2HB      TRP  40   1.011  -7.386  -5.537
  278    HD1  TRP  40           HD       TRP  40   2.149  -8.119  -9.027
  279    HE1  TRP  40           1HE      TRP  40   3.828  -6.370  -9.828
  280    HE3  TRP  40           3HE      TRP  40   3.024  -5.743  -4.571
  281    HZ2  TRP  40           2HZ      TRP  40   5.277  -4.125  -8.711
  282    HZ3  TRP  40           3HZ      TRP  40   4.554  -3.796  -4.479
  283    HH2  TRP  40           HH       TRP  40   5.665  -2.959  -6.540
  284    H    TRP  41           H        TRP  41   2.103  -9.141  -2.904
  285    HA   TRP  41           HA       TRP  41  -0.438 -10.704  -2.709
  286    HB2  TRP  41           1HB      TRP  41   1.997 -10.878  -0.894
  287    HB3  TRP  41           2HB      TRP  41   0.469 -11.739  -0.675
  288    HD1  TRP  41           HD       TRP  41   3.755 -12.504  -1.779
  289    HE1  TRP  41           1HE      TRP  41   3.869 -14.391  -3.511
  290    HE3  TRP  41           3HE      TRP  41  -1.202 -12.764  -3.033
  291    HZ2  TRP  41           2HZ      TRP  41   2.090 -15.633  -5.423
  292    HZ3  TRP  41           3HZ      TRP  41  -1.965 -14.280  -4.801
  293    HH2  TRP  41           HH       TRP  41  -0.334 -15.725  -6.033
  294    H    GLN  42           H        GLN  42  -1.925 -10.085  -1.194
  295    HA   GLN  42           HA       GLN  42  -1.840  -7.237  -0.584
  296    HB2  GLN  42           1HB      GLN  42  -3.837  -8.613  -1.462
  297    HB3  GLN  42           2HB      GLN  42  -4.015  -9.209   0.192
  298    HG2  GLN  42           1HG      GLN  42  -4.211  -6.793   0.950
  299    HG3  GLN  42           2HG      GLN  42  -4.137  -6.304  -0.741
  300   HE21  GLN  42          2HE2      GLN  42  -6.037  -6.743  -2.124
  301   HE22  GLN  42          1HE2      GLN  42  -7.553  -7.210  -1.371
  302    H    TYR  43           H        TYR  43  -1.697  -6.228   1.379
  303    HA   TYR  43           HA       TYR  43  -0.672  -7.613   3.726
  304    HB2  TYR  43           1HB      TYR  43  -1.572  -4.808   3.061
  305    HB3  TYR  43           2HB      TYR  43  -1.239  -5.259   4.727
  306    HD1  TYR  43           2HD      TYR  43   1.038  -5.976   5.443
  307    HD2  TYR  43           1HD      TYR  43   0.239  -4.385   1.530
  308    HE1  TYR  43           2HE      TYR  43   3.438  -5.410   5.183
  309    HE2  TYR  43           1HE      TYR  43   2.636  -3.787   1.262
  310    HH   TYR  43           HH       TYR  43   5.065  -4.594   3.753
  311    H    ASP  44           H        ASP  44  -1.642  -7.605   5.823
  312    HA   ASP  44           HA       ASP  44  -4.430  -8.399   5.971
  313    HB2  ASP  44           1HB      ASP  44  -2.686  -9.360   7.395
  314    HB3  ASP  44           2HB      ASP  44  -2.351  -7.777   8.105
  315    H    GLU  45           H        GLU  45  -6.069  -7.331   7.343
  316    HA   GLU  45           HA       GLU  45  -6.408  -4.571   6.558
  317    HB2  GLU  45           1HB      GLU  45  -8.547  -4.794   7.853
  318    HB3  GLU  45           2HB      GLU  45  -8.329  -5.958   6.547
  319    HG2  GLU  45           1HG      GLU  45  -7.823  -7.747   8.089
  320    HG3  GLU  45           2HG      GLU  45  -7.687  -6.630   9.442
  321    H    ARG  46           H        ARG  46  -5.083  -6.062   9.438
  322    HA   ARG  46           HA       ARG  46  -5.339  -3.543  10.989
  323    HB2  ARG  46           1HB      ARG  46  -3.931  -6.066  11.866
  324    HB3  ARG  46           2HB      ARG  46  -4.571  -4.762  12.856
  325    HG2  ARG  46           1HG      ARG  46  -6.117  -6.953  11.443
  326    HG3  ARG  46           2HG      ARG  46  -6.049  -6.587  13.161
  327    HD2  ARG  46           1HD      ARG  46  -7.307  -4.446  12.706
  328    HD3  ARG  46           2HD      ARG  46  -7.373  -4.901  10.994
  329    HE   ARG  46           HE       ARG  46  -9.074  -6.332  11.366
  330   HH11  ARG  46          1HH1      ARG  46  -7.748  -5.662  14.592
  331   HH12  ARG  46          2HH1      ARG  46  -9.068  -6.481  15.374
  332   HH21  ARG  46          1HH2      ARG  46 -10.660  -7.334  12.388
  333   HH22  ARG  46          2HH2      ARG  46 -10.719  -7.438  14.130
  334    H    THR  47           H        THR  47  -3.112  -5.029   8.856
  335    HA   THR  47           HA       THR  47  -0.791  -3.479   9.859
  336    HB   THR  47           HB       THR  47  -0.934  -5.503   7.592
  337    HG1  THR  47           1HG      THR  47   0.095  -6.799   9.198
  338   HG21  THR  47          3HG2      THR  47   1.562  -5.507   7.916
  339   HG22  THR  47          1HG2      THR  47   0.955  -3.948   7.325
  340   HG23  THR  47          2HG2      THR  47   1.383  -4.130   9.034
  341    H    SER  48           H        SER  48  -2.627  -3.895   6.783
  342    HA   SER  48           HA       SER  48  -1.336  -1.798   5.364
  343    HB2  SER  48           1HB      SER  48  -3.292  -1.813   3.884
  344    HB3  SER  48           2HB      SER  48  -2.693  -3.437   4.216
  345    HG   SER  48           HG       SER  48  -4.419  -3.846   5.520
  346    H    ARG  49           H        ARG  49  -3.990  -1.591   7.704
  347    HA   ARG  49           HA       ARG  49  -4.723   1.088   7.117
  348    HB2  ARG  49           1HB      ARG  49  -5.965   1.088   9.081
  349    HB3  ARG  49           2HB      ARG  49  -5.999  -0.558   8.486
  350    HG2  ARG  49           1HG      ARG  49  -5.678  -0.878  10.751
  351    HG3  ARG  49           2HG      ARG  49  -4.065  -1.048  10.103
  352    HD2  ARG  49           1HD      ARG  49  -4.248   0.213  12.292
  353    HD3  ARG  49           2HD      ARG  49  -3.366   1.030  11.026
  354    HE   ARG  49           HE       ARG  49  -6.223   1.725  11.319
  355   HH11  ARG  49          1HH1      ARG  49  -2.901   2.717  12.150
  356   HH12  ARG  49          2HH1      ARG  49  -3.333   4.422  12.067
  357   HH21  ARG  49          1HH2      ARG  49  -6.674   3.944  11.401
  358   HH22  ARG  49          2HH2      ARG  49  -5.396   5.060  11.801
  359    H    GLU  50           H        GLU  50  -1.891  -0.166   8.815
  360    HA   GLU  50           HA       GLU  50  -1.277   2.351  10.183
  361    HB2  GLU  50           1HB      GLU  50   0.546   0.012   9.479
  362    HB3  GLU  50           2HB      GLU  50   0.946   1.325  10.570
  363    HG2  GLU  50           1HG      GLU  50  -1.400  -0.556  11.083
  364    HG3  GLU  50           2HG      GLU  50   0.241  -0.896  11.608
  365    H    LEU  51           H        LEU  51  -0.408   0.785   7.148
  366    HA   LEU  51           HA       LEU  51   1.506   2.716   6.194
  367    HB2  LEU  51           1HB      LEU  51  -0.232   0.807   4.578
  368    HB3  LEU  51           2HB      LEU  51   1.333   1.471   4.137
  369    HG   LEU  51           HG       LEU  51   0.850  -0.559   6.371
  370   HD11  LEU  51          1HD1      LEU  51   0.471  -1.456   4.102
  371   HD12  LEU  51          2HD1      LEU  51   2.109  -0.945   3.636
  372   HD13  LEU  51          3HD1      LEU  51   1.876  -2.171   4.905
  373   HD21  LEU  51          3HD2      LEU  51   3.340  -0.756   6.334
  374   HD22  LEU  51          1HD2      LEU  51   3.399   0.652   5.247
  375   HD23  LEU  51          2HD2      LEU  51   2.778   0.817   6.906
  376    H    GLU  52           H        GLU  52  -1.962   2.178   5.571
  377    HA   GLU  52           HA       GLU  52  -2.457   4.356   3.855
  378    HB2  GLU  52           1HB      GLU  52  -3.937   2.346   4.393
  379    HB3  GLU  52           2HB      GLU  52  -4.339   3.133   5.911
  380    HG2  GLU  52           1HG      GLU  52  -6.123   3.525   4.383
  381    HG3  GLU  52           2HG      GLU  52  -5.309   5.056   4.643
  382    H    ASP  53           H        ASP  53  -2.251   4.293   7.414
  383    HA   ASP  53           HA       ASP  53  -3.451   6.927   7.785
  384    HB2  ASP  53           1HB      ASP  53  -3.486   4.913   9.342
  385    HB3  ASP  53           2HB      ASP  53  -1.810   5.248   9.728
  386    H    ALA  54           H        ALA  54  -0.235   5.545   7.643
  387    HA   ALA  54           HA       ALA  54   1.277   7.681   8.701
  388    HB1  ALA  54           1HB      ALA  54   2.160   5.493   8.534
  389    HB2  ALA  54           2HB      ALA  54   1.952   5.445   6.775
  390    HB3  ALA  54           3HB      ALA  54   3.176   6.525   7.495
  391    H    PHE  55           H        PHE  55   0.666   7.101   5.161
  392    HA   PHE  55           HA       PHE  55   2.015   9.556   4.438
  393    HB2  PHE  55           1HB      PHE  55   1.493   9.112   2.267
  394    HB3  PHE  55           2HB      PHE  55   1.501   7.497   2.932
  395    HD1  PHE  55           1HD      PHE  55  -0.567  10.185   1.508
  396    HD2  PHE  55           2HD      PHE  55  -0.606   6.215   3.173
  397    HE1  PHE  55           1HE      PHE  55  -2.807   9.790   0.506
  398    HE2  PHE  55           2HE      PHE  55  -2.826   5.810   2.138
  399    HZ   PHE  55           HZ       PHE  55  -3.935   7.593   0.815
  400    H    SER  56           H        SER  56  -1.094   8.868   5.654
  401    HA   SER  56           HA       SER  56  -2.391  11.386   4.847
  402    HB2  SER  56           1HB      SER  56  -3.486   9.088   5.247
  403    HB3  SER  56           2HB      SER  56  -3.337   9.442   6.965
  404    HG   SER  56           HG       SER  56  -5.371  10.124   6.103
  405    H    LYS  57           H        LYS  57  -0.656  10.166   7.713
  406    HA   LYS  57           HA       LYS  57  -1.168  12.464   9.429
  407    HB2  LYS  57           1HB      LYS  57   0.853  10.199   9.388
  408    HB3  LYS  57           2HB      LYS  57   0.906  11.474  10.604
  409    HG2  LYS  57           1HG      LYS  57  -1.058  10.799  11.656
  410    HG3  LYS  57           2HG      LYS  57  -1.684   9.973  10.228
  411    HD2  LYS  57           1HD      LYS  57  -0.952   8.343  11.944
  412    HD3  LYS  57           2HD      LYS  57  -0.080   8.193  10.433
  413    HE2  LYS  57           1HE      LYS  57   1.687   8.019  11.882
  414    HE3  LYS  57           2HE      LYS  57   1.728   9.741  11.560
  415    HZ1  LYS  57           3HZ      LYS  57   1.853   9.332  13.945
  416    HZ2  LYS  57           1HZ      LYS  57   0.457  10.110  13.618
  417    HZ3  LYS  57           2HZ      LYS  57   0.444   8.508  13.938
  418    H    GLY  58           H        GLY  58   1.507  11.492   7.265
  419    HA2  GLY  58           1HA      GLY  58   2.454  13.387   5.907
  420    HA3  GLY  58           2HA      GLY  58   2.688  14.255   7.440
  421    H    LYS  59           H        LYS  59   3.373  11.104   8.272
  422    HA   LYS  59           HA       LYS  59   6.225  11.527   8.107
  423    HB2  LYS  59           1HB      LYS  59   6.346   9.123   8.909
  424    HB3  LYS  59           2HB      LYS  59   5.570  10.281   9.970
  425    HG2  LYS  59           1HG      LYS  59   3.384   9.464   9.506
  426    HG3  LYS  59           2HG      LYS  59   3.953   8.582   8.082
  427    HD2  LYS  59           1HD      LYS  59   3.472   7.081   9.980
  428    HD3  LYS  59           2HD      LYS  59   5.137   6.991   9.444
  429    HE2  LYS  59           1HE      LYS  59   5.833   8.460  11.335
  430    HE3  LYS  59           2HE      LYS  59   4.161   8.505  11.902
  431    HZ1  LYS  59           3HZ      LYS  59   5.418   6.804  13.073
  432    HZ2  LYS  59           1HZ      LYS  59   4.296   6.050  12.148
  433    HZ3  LYS  59           2HZ      LYS  59   5.857   6.073  11.679
  434    H    LYS  60           H        LYS  60   7.743  10.283   7.067
  435    HA   LYS  60           HA       LYS  60   6.988   9.629   4.259
  436    HB2  LYS  60           1HB      LYS  60   9.082  10.379   3.611
  437    HB3  LYS  60           2HB      LYS  60   8.563  11.521   4.839
  438    HG2  LYS  60           1HG      LYS  60  10.041  10.263   6.482
  439    HG3  LYS  60           2HG      LYS  60  10.637   9.315   5.103
  440    HD2  LYS  60           1HD      LYS  60  11.296  11.502   3.992
  441    HD3  LYS  60           2HD      LYS  60  10.818  12.335   5.466
  442    HE2  LYS  60           1HE      LYS  60  13.204  12.078   5.462
  443    HE3  LYS  60           2HE      LYS  60  12.540  11.073   6.752
  444    HZ1  LYS  60           3HZ      LYS  60  14.293  10.008   5.309
  445    HZ2  LYS  60           1HZ      LYS  60  12.914   9.137   5.408
  446    HZ3  LYS  60           2HZ      LYS  60  13.223   9.999   4.061
  447    H    ASN  61           H        ASN  61   7.409   7.907   6.970
  448    HA   ASN  61           HA       ASN  61   7.572   5.420   5.683
  449    HB2  ASN  61           1HB      ASN  61   9.650   4.489   6.533
  450    HB3  ASN  61           2HB      ASN  61  10.014   5.837   5.472
  451   HD21  ASN  61          2HD2      ASN  61  10.333   7.964   6.598
  452   HD22  ASN  61          1HD2      ASN  61  11.219   7.962   8.116
  453    H    THR  62           H        THR  62   7.026   3.769   7.083
  454    HA   THR  62           HA       THR  62   6.711   4.379   9.990
  455    HB   THR  62           HB       THR  62   4.610   4.967   8.702
  456    HG1  THR  62           1HG      THR  62   3.392   3.926  10.418
  457   HG21  THR  62          3HG2      THR  62   3.043   3.151   8.224
  458   HG22  THR  62          1HG2      THR  62   4.496   2.952   7.233
  459   HG23  THR  62          2HG2      THR  62   4.248   1.929   8.666
  460    H    GLU  63           H        GLU  63   5.703   2.296  11.082
  461    HA   GLU  63           HA       GLU  63   7.536   0.037  10.367
  462    HB2  GLU  63           1HB      GLU  63   6.975   1.388  13.038
  463    HB3  GLU  63           2HB      GLU  63   7.722  -0.204  12.896
  464    HG2  GLU  63           1HG      GLU  63   9.554   0.722  11.564
  465    HG3  GLU  63           2HG      GLU  63   8.830   2.329  11.620
  466    H    MET  64           H        MET  64   6.894  -1.994  10.802
  467    HA   MET  64           HA       MET  64   4.253  -2.604  11.964
  468    HB2  MET  64           1HB      MET  64   3.585  -3.835   9.864
  469    HB3  MET  64           2HB      MET  64   3.560  -2.081   9.750
  470    HG2  MET  64           1HG      MET  64   5.682  -2.063   8.551
  471    HG3  MET  64           2HG      MET  64   5.901  -3.788   8.828
  472    HE1  MET  64           3HE      MET  64   5.729  -3.472   5.079
  473    HE2  MET  64           1HE      MET  64   6.709  -3.191   6.514
  474    HE3  MET  64           2HE      MET  64   6.062  -4.827   6.193
  475    H    LEU  65           H        LEU  65   3.940  -4.682  12.526
  476    HA   LEU  65           HA       LEU  65   6.309  -6.466  12.595
  477    HB2  LEU  65           1HB      LEU  65   4.655  -5.546  14.647
  478    HB3  LEU  65           2HB      LEU  65   3.910  -7.076  14.270
  479    HG   LEU  65           HG       LEU  65   5.443  -7.300  16.091
  480   HD11  LEU  65          1HD1      LEU  65   5.324  -9.239  14.567
  481   HD12  LEU  65          2HD1      LEU  65   6.782  -8.646  13.732
  482   HD13  LEU  65          3HD1      LEU  65   6.867  -9.121  15.431
  483   HD21  LEU  65          3HD2      LEU  65   7.808  -6.793  15.978
  484   HD22  LEU  65          1HD2      LEU  65   7.678  -6.359  14.261
  485   HD23  LEU  65          2HD2      LEU  65   6.867  -5.363  15.490
  486    H    ILE  66           H        ILE  66   6.196  -8.502  11.922
  487    HA   ILE  66           HA       ILE  66   3.748  -9.459  10.448
  488    HB   ILE  66           HB       ILE  66   5.070 -10.312   8.698
  489   HG12  ILE  66          1HG1      ILE  66   7.614  -8.973   9.160
  490   HG13  ILE  66          2HG1      ILE  66   7.297 -10.042  10.506
  491   HG21  ILE  66          1HG2      ILE  66   4.207  -7.979   8.619
  492   HG22  ILE  66          2HG2      ILE  66   5.809  -7.392   9.111
  493   HG23  ILE  66          3HG2      ILE  66   5.604  -8.281   7.588
  494   HD11  ILE  66          3HD1      ILE  66   8.544 -11.017   8.469
  495   HD12  ILE  66          1HD1      ILE  66   7.236 -11.981   9.168
  496   HD13  ILE  66          2HD1      ILE  66   6.957 -11.055   7.686
  497    H    ALA  67           H        ALA  67   5.082 -11.975   9.701
  498    HA   ALA  67           HA       ALA  67   4.252 -13.649  11.790
  499    HB1  ALA  67           1HB      ALA  67   4.499 -14.256   9.379
  500    HB2  ALA  67           2HB      ALA  67   6.274 -14.162   9.554
  501    HB3  ALA  67           3HB      ALA  67   5.356 -15.399  10.434
  502    H    GLY  68           H        GLY  68   7.293 -11.973  11.601
  503    HA2  GLY  68           1HA      GLY  68   8.135 -12.813  14.193
  504    HA3  GLY  68           2HA      GLY  68   9.004 -13.758  13.004
  505    H    PHE  69           H        PHE  69   8.247 -10.431  12.117
  506    HA   PHE  69           HA       PHE  69  10.959  -9.462  12.786
  507    HB2  PHE  69           1HB      PHE  69   9.923  -9.771   9.933
  508    HB3  PHE  69           2HB      PHE  69  11.348  -8.871  10.382
  509    HD1  PHE  69           2HD      PHE  69  13.372 -10.026  11.287
  510    HD2  PHE  69           1HD      PHE  69  10.007 -12.216   9.697
  511    HE1  PHE  69           2HE      PHE  69  14.820 -12.017  10.950
  512    HE2  PHE  69           1HE      PHE  69  11.462 -14.191   9.351
  513    HZ   PHE  69           HZ       PHE  69  13.867 -14.097   9.972
  514    H    LEU  70           H        LEU  70  11.230  -7.241  12.557
  515    HA   LEU  70           HA       LEU  70   8.779  -5.577  12.226
  516    HB2  LEU  70           1HB      LEU  70  10.417  -5.331  14.227
  517    HB3  LEU  70           2HB      LEU  70  11.565  -4.716  13.050
  518    HG   LEU  70           HG       LEU  70  10.642  -2.878  14.188
  519   HD11  LEU  70          1HD1      LEU  70  10.828  -2.616  11.653
  520   HD12  LEU  70          2HD1      LEU  70   9.051  -2.769  11.623
  521   HD13  LEU  70          3HD1      LEU  70   9.813  -1.455  12.515
  522   HD21  LEU  70          3HD2      LEU  70   8.231  -2.337  14.276
  523   HD22  LEU  70          1HD2      LEU  70   7.859  -3.907  13.532
  524   HD23  LEU  70          2HD2      LEU  70   8.638  -3.835  15.130
  525    H    TYR  71           H        TYR  71   8.453  -4.743  10.327
  526    HA   TYR  71           HA       TYR  71  10.705  -4.259   8.407
  527    HB2  TYR  71           1HB      TYR  71   7.801  -4.880   7.846
  528    HB3  TYR  71           2HB      TYR  71   8.924  -4.290   6.628
  529    HD1  TYR  71           2HD      TYR  71  11.396  -5.917   7.221
  530    HD2  TYR  71           1HD      TYR  71   7.232  -7.007   7.002
  531    HE1  TYR  71           2HE      TYR  71  12.024  -8.258   6.684
  532    HE2  TYR  71           1HE      TYR  71   7.848  -9.336   6.617
  533    HH   TYR  71           HH       TYR  71  11.283 -10.379   6.257
  534    H    VAL  72           H        VAL  72  11.124  -2.284   7.865
  535    HA   VAL  72           HA       VAL  72   9.412  -0.019   8.705
  536    HB   VAL  72           HB       VAL  72  12.083   0.077   7.260
  537   HG11  VAL  72          1HG1      VAL  72  10.730   2.158   7.110
  538   HG12  VAL  72          2HG1      VAL  72  10.570   2.176   8.882
  539   HG13  VAL  72          3HG1      VAL  72  12.160   2.396   8.126
  540   HG21  VAL  72          3HG2      VAL  72  13.092   0.606   9.469
  541   HG22  VAL  72          1HG2      VAL  72  11.556   0.169  10.251
  542   HG23  VAL  72          2HG2      VAL  72  12.496  -1.052   9.359
  543    H    ALA  73           H        ALA  73   7.888   0.596   7.307
  544    HA   ALA  73           HA       ALA  73   8.019  -0.083   4.410
  545    HB1  ALA  73           1HB      ALA  73   5.935  -0.611   5.596
  546    HB2  ALA  73           2HB      ALA  73   5.798   1.077   6.140
  547    HB3  ALA  73           3HB      ALA  73   5.681   0.687   4.409
  548    H    ASP  74           H        ASP  74   9.134   1.302   3.257
  549    HA   ASP  74           HA       ASP  74   9.538   4.117   3.996
  550    HB2  ASP  74           1HB      ASP  74  11.351   2.596   3.198
  551    HB3  ASP  74           2HB      ASP  74  10.539   2.491   1.640
  552    H    LEU  75           H        LEU  75   7.959   5.486   3.511
  553    HA   LEU  75           HA       LEU  75   6.053   4.981   1.340
  554    HB2  LEU  75           1HB      LEU  75   6.216   6.867   3.699
  555    HB3  LEU  75           2HB      LEU  75   5.155   7.240   2.363
  556    HG   LEU  75           HG       LEU  75   3.911   5.198   2.673
  557   HD11  LEU  75          1HD1      LEU  75   5.551   3.632   3.592
  558   HD12  LEU  75          2HD1      LEU  75   5.592   4.575   5.107
  559   HD13  LEU  75          3HD1      LEU  75   4.107   3.748   4.602
  560   HD21  LEU  75          3HD2      LEU  75   2.747   5.906   4.657
  561   HD22  LEU  75          1HD2      LEU  75   4.230   6.612   5.352
  562   HD23  LEU  75          2HD2      LEU  75   3.456   7.367   3.961
  563    H    GLU  76           H        GLU  76   9.053   6.576   1.497
  564    HA   GLU  76           HA       GLU  76   8.452   8.714  -0.437
  565    HB2  GLU  76           1HB      GLU  76  11.119   7.523   0.437
  566    HB3  GLU  76           2HB      GLU  76  10.883   8.909  -0.602
  567    HG2  GLU  76           1HG      GLU  76   9.641   9.940   1.422
  568    HG3  GLU  76           2HG      GLU  76  10.307   8.608   2.361
  569    H    ASN  77           H        ASN  77  10.176   5.609  -0.442
  570    HA   ASN  77           HA       ASN  77  10.493   5.605  -3.387
  571    HB2  ASN  77           1HB      ASN  77  11.637   3.870  -1.152
  572    HB3  ASN  77           2HB      ASN  77  12.080   3.754  -2.853
  573   HD21  ASN  77          2HD2      ASN  77  12.254   5.897   0.044
  574   HD22  ASN  77          1HD2      ASN  77  13.664   6.763  -0.553
  575    H    MET  78           H        MET  78   8.349   4.386  -1.128
  576    HA   MET  78           HA       MET  78   6.849   2.654  -0.937
  577    HB2  MET  78           1HB      MET  78   6.926   2.722  -3.959
  578    HB3  MET  78           2HB      MET  78   5.733   1.855  -2.980
  579    HG2  MET  78           1HG      MET  78   6.028   4.804  -2.490
  580    HG3  MET  78           2HG      MET  78   5.350   4.284  -4.018
  581    HE1  MET  78           3HE      MET  78   3.321   4.085   0.058
  582    HE2  MET  78           1HE      MET  78   4.918   3.338  -0.131
  583    HE3  MET  78           2HE      MET  78   4.697   5.083  -0.439
  584    H    VAL  79           H        VAL  79   8.831   1.652  -0.013
  585    HA   VAL  79           HA       VAL  79   9.025  -1.112  -1.052
  586    HB   VAL  79           HB       VAL  79  11.458  -1.311  -0.537
  587   HG11  VAL  79          1HG1      VAL  79  10.777  -1.041  -2.871
  588   HG12  VAL  79          2HG1      VAL  79  10.914   0.728  -2.720
  589   HG13  VAL  79          3HG1      VAL  79  12.351  -0.304  -2.548
  590   HG21  VAL  79          3HG2      VAL  79  12.886   0.656  -0.365
  591   HG22  VAL  79          1HG2      VAL  79  11.470   1.717  -0.349
  592   HG23  VAL  79          2HG2      VAL  79  11.758   0.564   0.983
  593    H    GLN  80           H        GLN  80   9.973  -2.598   0.633
  594    HA   GLN  80           HA       GLN  80   9.684  -1.616   3.432
  595    HB2  GLN  80           1HB      GLN  80   8.910  -3.862   4.061
  596    HB3  GLN  80           2HB      GLN  80   7.774  -3.064   2.973
  597    HG2  GLN  80           1HG      GLN  80   8.414  -4.438   1.115
  598    HG3  GLN  80           2HG      GLN  80   9.861  -5.028   1.928
  599   HE21  GLN  80          2HE2      GLN  80   9.553  -6.469   3.892
  600   HE22  GLN  80          1HE2      GLN  80   8.178  -7.557   3.762
  601    H    TYR  81           H        TYR  81  11.247  -2.307   4.877
  602    HA   TYR  81           HA       TYR  81  13.157  -4.405   4.189
  603    HB2  TYR  81           1HB      TYR  81  15.141  -2.883   4.626
  604    HB3  TYR  81           2HB      TYR  81  14.350  -2.785   3.074
  605    HD1  TYR  81           2HD      TYR  81  14.465  -1.029   6.412
  606    HD2  TYR  81           1HD      TYR  81  13.699  -0.747   2.179
  607    HE1  TYR  81           2HE      TYR  81  14.295   1.440   6.604
  608    HE2  TYR  81           1HE      TYR  81  13.555   1.707   2.347
  609    HH   TYR  81           HH       TYR  81  13.530   3.546   3.798
  610    H    ARG  82           H        ARG  82  14.404  -5.177   5.963
  611    HA   ARG  82           HA       ARG  82  13.120  -4.932   8.541
  612    HB2  ARG  82           1HB      ARG  82  13.751  -7.028   7.575
  613    HB3  ARG  82           2HB      ARG  82  15.394  -6.473   7.259
  614    HG2  ARG  82           1HG      ARG  82  15.972  -6.559   9.583
  615    HG3  ARG  82           2HG      ARG  82  14.282  -6.810  10.065
  616    HD2  ARG  82           1HD      ARG  82  15.742  -8.844  10.035
  617    HD3  ARG  82           2HD      ARG  82  14.221  -8.988   9.127
  618    HE   ARG  82           HE       ARG  82  16.755  -8.297   7.729
  619   HH11  ARG  82          1HH1      ARG  82  14.328 -10.896   8.287
  620   HH12  ARG  82          2HH1      ARG  82  14.876 -11.710   6.818
  621   HH21  ARG  82          1HH2      ARG  82  17.232  -9.507   5.870
  622   HH22  ARG  82          2HH2      ARG  82  16.328 -10.995   5.573
  623    H    ARG  83           H        ARG  83  13.982  -4.016  10.425
  624    HA   ARG  83           HA       ARG  83  15.616  -1.738  10.156
  625    HB2  ARG  83           1HB      ARG  83  14.806  -3.340  12.607
  626    HB3  ARG  83           2HB      ARG  83  15.810  -1.891  12.717
  627    HG2  ARG  83           1HG      ARG  83  14.054  -0.584  11.496
  628    HG3  ARG  83           2HG      ARG  83  13.032  -2.025  11.493
  629    HD2  ARG  83           1HD      ARG  83  12.350  -0.516  13.252
  630    HD3  ARG  83           2HD      ARG  83  12.974  -2.007  13.965
  631    HE   ARG  83           HE       ARG  83  15.192  -0.595  14.117
  632   HH11  ARG  83          1HH1      ARG  83  11.954   0.774  14.778
  633   HH12  ARG  83          2HH1      ARG  83  12.613   1.853  15.969
  634   HH21  ARG  83          1HH2      ARG  83  15.913   0.866  15.616
  635   HH22  ARG  83          2HH2      ARG  83  14.794   1.927  16.413
  636    H    ASN  84           H        ASN  84  16.799  -5.002  10.503
  637    HA   ASN  84           HA       ASN  84  19.406  -4.276  11.521
  638    HB2  ASN  84           1HB      ASN  84  18.290  -6.494  11.810
  639    HB3  ASN  84           2HB      ASN  84  18.538  -6.816  10.098
  640   HD21  ASN  84          2HD2      ASN  84  20.604  -7.595   9.436
  641   HD22  ASN  84          1HD2      ASN  84  21.920  -7.810  10.584
  642    H    GLU  85           H        GLU  85  18.054  -4.173   8.256
  643    HA   GLU  85           HA       GLU  85  20.528  -3.014   7.294
  644    HB2  GLU  85           1HB      GLU  85  20.799  -4.496   5.352
  645    HB3  GLU  85           2HB      GLU  85  21.237  -5.236   6.876
  646    HG2  GLU  85           1HG      GLU  85  18.528  -5.709   5.566
  647    HG3  GLU  85           2HG      GLU  85  19.953  -6.650   5.156
  648    H    HIS  86           H        HIS  86  20.145  -1.437   5.937
  649    HA   HIS  86           HA       HIS  86  17.379  -0.847   5.168
  650    HB2  HIS  86           1HB      HIS  86  18.696   0.817   6.278
  651    HB3  HIS  86           2HB      HIS  86  20.038   0.622   5.153
  652    HD2  HIS  86           2HD      HIS  86  19.919   1.766   2.806
  653    HE1  HIS  86           1HE      HIS  86  16.394   4.069   3.474
  654    HE2  HIS  86           2HE      HIS  86  18.378   3.722   1.908
  655    H    GLY  87           H        GLY  87  20.266  -1.961   3.533
  656    HA2  GLY  87           1HA      GLY  87  19.602  -0.976   0.874
  657    HA3  GLY  87           2HA      GLY  87  20.884  -2.139   1.291
  658    H    ARG  88           H        ARG  88  19.506  -4.216   2.387
  659    HA   ARG  88           HA       ARG  88  18.225  -5.561   0.177
  660    HB2  ARG  88           1HB      ARG  88  19.534  -6.728   1.925
  661    HB3  ARG  88           2HB      ARG  88  18.379  -6.212   3.150
  662    HG2  ARG  88           1HG      ARG  88  17.961  -8.507   2.622
  663    HG3  ARG  88           2HG      ARG  88  16.601  -7.556   2.028
  664    HD2  ARG  88           1HD      ARG  88  17.578  -7.657  -0.277
  665    HD3  ARG  88           2HD      ARG  88  18.906  -8.656   0.359
  666    HE   ARG  88           HE       ARG  88  16.555  -9.933   1.175
  667   HH11  ARG  88          1HH1      ARG  88  18.164  -9.311  -1.929
  668   HH12  ARG  88          2HH1      ARG  88  17.302 -10.595  -2.721
  669   HH21  ARG  88          1HH2      ARG  88  15.349 -11.362   0.075
  670   HH22  ARG  88          2HH2      ARG  88  15.773 -11.829  -1.568
  671    H    ARG  89           H        ARG  89  16.241  -5.100  -0.526
  672    HA   ARG  89           HA       ARG  89  14.001  -4.488   1.289
  673    HB2  ARG  89           1HB      ARG  89  13.502  -2.348   0.309
  674    HB3  ARG  89           2HB      ARG  89  15.132  -2.331   0.945
  675    HG2  ARG  89           1HG      ARG  89  15.829  -2.900  -1.545
  676    HG3  ARG  89           2HG      ARG  89  14.199  -2.301  -1.917
  677    HD2  ARG  89           1HD      ARG  89  14.758  -0.181  -0.726
  678    HD3  ARG  89           2HD      ARG  89  16.379  -0.764  -0.437
  679    HE   ARG  89           HE       ARG  89  15.262   0.286  -2.918
  680   HH11  ARG  89          1HH2      ARG  89  17.914  -1.760  -1.711
  681   HH12  ARG  89          2HH2      ARG  89  18.885  -1.438  -3.117
  682   HH21  ARG  89          1HH1      ARG  89  16.575   0.621  -4.684
  683   HH22  ARG  89          2HH1      ARG  89  18.141  -0.127  -4.768
  684    H    ARG  90           H        ARG  90  11.945  -4.441   0.279
  685    HA   ARG  90           HA       ARG  90  11.726  -5.687  -2.441
  686    HB2  ARG  90           1HB      ARG  90  10.171  -6.473   0.061
  687    HB3  ARG  90           2HB      ARG  90   9.783  -7.011  -1.564
  688    HG2  ARG  90           1HG      ARG  90  12.375  -7.621  -0.076
  689    HG3  ARG  90           2HG      ARG  90  11.008  -8.712  -0.239
  690    HD2  ARG  90           1HD      ARG  90  12.685  -7.664  -2.554
  691    HD3  ARG  90           2HD      ARG  90  12.859  -9.242  -1.793
  692    HE   ARG  90           HE       ARG  90  10.340  -9.517  -2.441
  693   HH11  ARG  90          1HH1      ARG  90  12.572  -7.720  -4.542
  694   HH12  ARG  90          2HH1      ARG  90  11.669  -8.165  -5.964
  695   HH21  ARG  90          1HH2      ARG  90   9.405 -10.193  -4.310
  696   HH22  ARG  90          2HH2      ARG  90   9.788  -9.386  -5.809
  697    H    LYS  91           H        LYS  91   9.995  -5.024  -3.664
  698    HA   LYS  91           HA       LYS  91   9.075  -2.348  -3.242
  699    HB2  LYS  91           1HB      LYS  91   8.778  -4.548  -5.252
  700    HB3  LYS  91           2HB      LYS  91   7.474  -3.401  -5.242
  701    HG2  LYS  91           1HG      LYS  91  10.421  -2.721  -5.606
  702    HG3  LYS  91           2HG      LYS  91   9.233  -2.886  -6.898
  703    HD2  LYS  91           1HD      LYS  91   9.288  -0.749  -4.742
  704    HD3  LYS  91           2HD      LYS  91   9.611  -0.542  -6.459
  705    HE2  LYS  91           1HE      LYS  91   7.297  -0.990  -7.042
  706    HE3  LYS  91           2HE      LYS  91   6.917  -1.472  -5.381
  707    HZ1  LYS  91           3HZ      LYS  91   6.192   0.743  -5.703
  708    HZ2  LYS  91           1HZ      LYS  91   7.449   0.760  -4.656
  709    HZ3  LYS  91           2HZ      LYS  91   7.673   1.256  -6.212
  710    H    ILE  92           H        ILE  92   7.093  -1.429  -2.776
  711    HA   ILE  92           HA       ILE  92   4.773  -3.214  -2.233
  712    HB   ILE  92           HB       ILE  92   4.039  -1.983  -0.332
  713   HG12  ILE  92          1HG1      ILE  92   6.485  -0.258  -0.678
  714   HG13  ILE  92          2HG1      ILE  92   4.813   0.233  -0.963
  715   HG21  ILE  92          1HG2      ILE  92   5.671  -3.842   0.044
  716   HG22  ILE  92          2HG2      ILE  92   6.970  -2.634   0.157
  717   HG23  ILE  92          3HG2      ILE  92   5.639  -2.632   1.329
  718   HD11  ILE  92          3HD1      ILE  92   5.524   1.166   1.107
  719   HD12  ILE  92          1HD1      ILE  92   4.380  -0.144   1.494
  720   HD13  ILE  92          2HD1      ILE  92   6.136  -0.386   1.697
  721    H    LYS  93           H        LYS  93   2.693  -1.991  -2.294
  722    HA   LYS  93           HA       LYS  93   2.658   0.547  -3.732
  723    HB2  LYS  93           1HB      LYS  93   1.480  -0.193  -5.695
  724    HB3  LYS  93           2HB      LYS  93   2.990  -1.086  -5.595
  725    HG2  LYS  93           1HG      LYS  93   1.849  -3.088  -4.831
  726    HG3  LYS  93           2HG      LYS  93   0.326  -2.208  -4.616
  727    HD2  LYS  93           1HD      LYS  93   0.166  -1.779  -7.013
  728    HD3  LYS  93           2HD      LYS  93   1.678  -2.672  -7.298
  729    HE2  LYS  93           1HE      LYS  93   0.716  -4.745  -6.606
  730    HE3  LYS  93           2HE      LYS  93  -0.658  -3.946  -5.823
  731    HZ1  LYS  93           3HZ      LYS  93  -1.229  -4.953  -7.983
  732    HZ2  LYS  93           1HZ      LYS  93  -1.556  -3.356  -7.929
  733    HZ3  LYS  93           2HZ      LYS  93  -0.237  -3.905  -8.753
  734    H    ARG  94           H        ARG  94   0.478   1.321  -4.164
  735    HA   ARG  94           HA       ARG  94  -1.636   0.390  -2.251
  736    HB2  ARG  94           1HB      ARG  94  -0.934   3.102  -3.426
  737    HB3  ARG  94           2HB      ARG  94  -2.575   2.752  -2.872
  738    HG2  ARG  94           1HG      ARG  94  -1.893   2.322  -0.650
  739    HG3  ARG  94           2HG      ARG  94  -0.172   2.300  -1.061
  740    HD2  ARG  94           1HD      ARG  94  -1.875   4.782  -1.493
  741    HD3  ARG  94           2HD      ARG  94  -1.157   4.417   0.079
  742    HE   ARG  94           HE       ARG  94   0.912   4.179  -1.810
  743   HH11  ARG  94          1HH1      ARG  94  -1.067   6.781  -0.456
  744   HH12  ARG  94          2HH1      ARG  94   0.149   7.981  -0.755
  745   HH21  ARG  94          1HH2      ARG  94   2.455   5.766  -2.123
  746   HH22  ARG  94          2HH2      ARG  94   2.122   7.413  -1.676
  747    H    ASP  95           H        ASP  95  -3.659  -0.022  -3.062
  748    HA   ASP  95           HA       ASP  95  -4.296   0.317  -5.916
  749    HB2  ASP  95           1HB      ASP  95  -3.096  -2.085  -5.106
  750    HB3  ASP  95           2HB      ASP  95  -4.827  -2.441  -5.016
  751    H    ILE  96           H        ILE  96  -6.503  -0.948  -6.273
  752    HA   ILE  96           HA       ILE  96  -8.430  -0.208  -4.099
  753    HB   ILE  96           HB       ILE  96  -8.663   0.403  -7.058
  754   HG12  ILE  96          1HG1      ILE  96  -7.048   1.928  -5.956
  755   HG13  ILE  96          2HG1      ILE  96  -8.480   2.748  -6.546
  756   HG21  ILE  96          1HG2      ILE  96 -10.885   0.025  -6.207
  757   HG22  ILE  96          2HG2      ILE  96 -10.561   0.923  -4.703
  758   HG23  ILE  96          3HG2      ILE  96 -10.700   1.774  -6.256
  759   HD11  ILE  96          3HD1      ILE  96  -7.663   3.450  -4.232
  760   HD12  ILE  96          1HD1      ILE  96  -9.384   3.010  -4.357
  761   HD13  ILE  96          2HD1      ILE  96  -8.235   1.862  -3.663
  762    H    ILE  97           H        ILE  97 -10.123  -1.490  -3.871
  763    HA   ILE  97           HA       ILE  97 -10.324  -4.018  -5.457
  764    HB   ILE  97           HB       ILE  97 -11.811  -3.193  -2.958
  765   HG12  ILE  97          1HG1      ILE  97 -10.371  -5.258  -2.104
  766   HG13  ILE  97          2HG1      ILE  97  -9.246  -4.735  -3.350
  767   HG21  ILE  97          1HG2      ILE  97 -13.128  -4.705  -4.244
  768   HG22  ILE  97          2HG2      ILE  97 -11.748  -5.811  -4.477
  769   HG23  ILE  97          3HG2      ILE  97 -12.473  -5.580  -2.865
  770   HD11  ILE  97          3HD1      ILE  97  -9.053  -3.821  -0.902
  771   HD12  ILE  97          1HD1      ILE  97  -8.837  -2.669  -2.240
  772   HD13  ILE  97          2HD1      ILE  97 -10.367  -2.738  -1.330
  773    H    ASP  98           H        ASP  98 -12.049  -4.471  -6.735
  774    HA   ASP  98           HA       ASP  98 -13.867  -2.222  -7.345
  775    HB2  ASP  98           1HB      ASP  98 -12.376  -3.186  -9.108
  776    HB3  ASP  98           2HB      ASP  98 -13.288  -4.692  -9.001
  777    H    ILE  99           H        ILE  99 -14.039  -5.304  -5.937
  778    HA   ILE  99           HA       ILE  99 -15.619  -6.372  -4.756
  779    HB   ILE  99           HB       ILE  99 -17.580  -4.197  -5.502
  780   HG12  ILE  99          1HG1      ILE  99 -15.610  -3.258  -4.309
  781   HG13  ILE  99          2HG1      ILE  99 -17.102  -3.126  -3.405
  782   HG21  ILE  99          1HG2      ILE  99 -18.791  -6.125  -4.727
  783   HG22  ILE  99          2HG2      ILE  99 -17.751  -6.271  -3.299
  784   HG23  ILE  99          3HG2      ILE  99 -18.821  -4.872  -3.490
  785   HD11  ILE  99          3HD1      ILE  99 -15.133  -3.762  -2.011
  786   HD12  ILE  99          1HD1      ILE  99 -16.454  -4.932  -1.906
  787   HD13  ILE  99          2HD1      ILE  99 -15.019  -5.297  -2.888
  788    HA   PRO 100           HA       PRO 100 -17.358  -8.889  -8.047
  789    HB2  PRO 100           1HB      PRO 100 -18.012 -11.123  -6.653
  790    HB3  PRO 100           2HB      PRO 100 -16.310 -10.621  -6.878
  791    HG2  PRO 100           1HG      PRO 100 -18.110 -10.074  -4.487
  792    HG3  PRO 100           2HG      PRO 100 -16.459 -10.777  -4.483
  793    HD2  PRO 100           1HD      PRO 100 -16.922  -8.115  -4.061
  794    HD3  PRO 100           2HD      PRO 100 -15.472  -8.686  -4.934
  795    H    LYS 101           H        LYS 101 -19.447 -10.163  -8.450
  796    HA   LYS 101           HA       LYS 101 -21.683  -8.469  -8.178
  797    HB2  LYS 101           1HB      LYS 101 -22.962 -10.236  -9.193
  798    HB3  LYS 101           2HB      LYS 101 -21.384 -10.111  -9.970
  799    HG2  LYS 101           1HG      LYS 101 -20.597 -12.073  -8.585
  800    HG3  LYS 101           2HG      LYS 101 -22.233 -12.236  -7.939
  801    HD2  LYS 101           1HD      LYS 101 -21.452 -12.452 -10.880
  802    HD3  LYS 101           2HD      LYS 101 -21.747 -13.811  -9.788
  803    HE2  LYS 101           1HE      LYS 101 -24.090 -13.021  -9.442
  804    HE3  LYS 101           2HE      LYS 101 -23.802 -11.694 -10.574
  805    HZ1  LYS 101           3HZ      LYS 101 -24.872 -13.567 -11.668
  806    HZ2  LYS 101           1HZ      LYS 101 -23.385 -13.348 -12.307
  807    HZ3  LYS 101           2HZ      LYS 101 -23.655 -14.576 -11.261
  808    H    LYS 102           H        LYS 102 -20.622 -10.913  -5.923
  809    HA   LYS 102           HA       LYS 102 -22.956 -11.296  -4.354
  810    HB2  LYS 102           1HB      LYS 102 -20.793 -12.559  -4.265
  811    HB3  LYS 102           2HB      LYS 102 -20.047 -11.182  -3.440
  812    HG2  LYS 102           1HG      LYS 102 -21.608 -11.452  -1.543
  813    HG3  LYS 102           2HG      LYS 102 -22.455 -12.753  -2.405
  814    HD2  LYS 102           1HD      LYS 102 -20.376 -14.112  -2.388
  815    HD3  LYS 102           2HD      LYS 102 -19.530 -12.805  -1.531
  816    HE2  LYS 102           1HE      LYS 102 -21.147 -12.996   0.350
  817    HE3  LYS 102           2HE      LYS 102 -21.997 -14.289  -0.505
  818    HZ1  LYS 102           3HZ      LYS 102 -20.444 -15.180   1.124
  819    HZ2  LYS 102           1HZ      LYS 102 -19.965 -15.622  -0.374
  820    HZ3  LYS 102           2HZ      LYS 102 -19.179 -14.426   0.419
  821    H    GLY 103           H        GLY 103 -20.962  -8.437  -4.617
  822    HA2  GLY 103           1HA      GLY 103 -21.714  -7.014  -2.270
  823    HA3  GLY 103           2HA      GLY 103 -21.220  -6.309  -3.826
  824    H    VAL 104           H        VAL 104 -23.718  -7.851  -4.976
  825    HA   VAL 104           HA       VAL 104 -25.678  -5.802  -4.750
  826    HB   VAL 104           HB       VAL 104 -25.479  -7.568  -6.545
  827   HG11  VAL 104          1HG1      VAL 104 -25.487  -9.583  -5.017
  828   HG12  VAL 104          2HG1      VAL 104 -27.207  -9.284  -4.710
  829   HG13  VAL 104          3HG1      VAL 104 -26.653  -9.666  -6.349
  830   HG21  VAL 104          3HG2      VAL 104 -27.828  -7.529  -7.124
  831   HG22  VAL 104          1HG2      VAL 104 -28.287  -7.136  -5.459
  832   HG23  VAL 104          2HG2      VAL 104 -27.360  -5.969  -6.429
  833    H    SER 105           H        SER 105 -24.959  -8.437  -2.525
  834    HA   SER 105           HA       SER 105 -27.516  -8.353  -1.108
  835    HB2  SER 105           1HB      SER 105 -24.815  -9.523  -0.356
  836    HB3  SER 105           2HB      SER 105 -26.318  -9.726   0.561
  837    HG   SER 105           HG       SER 105 -25.930 -11.495  -0.872
  838    H    GLY 106           H        GLY 106 -28.136  -6.674   0.107
  839    HA2  GLY 106           1HA      GLY 106 -26.271  -4.640   1.062
  840    HA3  GLY 106           2HA      GLY 106 -28.035  -4.646   1.234
  841    HA   PRO 107           HA       PRO 107 -25.953  -5.617   5.367
  842    HB2  PRO 107           1HB      PRO 107 -26.344  -3.267   6.694
  843    HB3  PRO 107           2HB      PRO 107 -24.958  -3.526   5.593
  844    HG2  PRO 107           1HG      PRO 107 -27.609  -2.182   4.958
  845    HG3  PRO 107           2HG      PRO 107 -25.955  -1.561   4.643
  846    HD2  PRO 107           1HD      PRO 107 -27.401  -2.849   2.727
  847    HD3  PRO 107           2HD      PRO 107 -25.631  -3.075   2.860
  848    H    SER 108           H        SER 108 -27.066  -5.857   7.438
  849    HA   SER 108           HA       SER 108 -29.792  -6.658   7.130
  850    HB2  SER 108           1HB      SER 108 -28.202  -6.349   9.699
  851    HB3  SER 108           2HB      SER 108 -29.600  -7.396   9.433
  852    HG   SER 108           HG       SER 108 -28.339  -8.653   7.999
  853    H    SER 109           H        SER 109 -28.751  -3.521   7.644
  854    HA   SER 109           HA       SER 109 -31.374  -2.535   8.356
  855    HB2  SER 109           1HB      SER 109 -30.454  -3.223  10.609
  856    HB3  SER 109           2HB      SER 109 -29.156  -2.040  10.379
  857    HG   SER 109           HG       SER 109 -30.965  -1.203  11.580
  858    H    GLY 110           H        GLY 110 -31.514  -0.223   8.167
  859    HA2  GLY 110           1HA      GLY 110 -29.430   1.590   7.544
  860    HA3  GLY 110           2HA      GLY 110 -29.994   0.907   6.020
  861   H5'1  ATP 201          H5"       ATP 111  10.713 -12.960   6.805
  862   H5'2  ATP 201          H5'       ATP 111  10.600 -13.069   5.046
  863    H4'  ATP 201           H4'      ATP 111   8.875 -14.659   6.992
  864    H3'  ATP 201           H3'      ATP 111   9.270 -15.298   4.347
  865   HO3'  ATP 201          H3T       ATP 111   7.247 -16.277   4.484
  866    H2'  ATP 201           H2'      ATP 111   8.771 -13.097   3.566
  867   HO2'  ATP 201          2HO       ATP 111   6.325 -14.590   3.442
  868    H1'  ATP 201           H1'      ATP 111   6.365 -13.148   5.421
  869    H8   ATP 201           8H       ATP 111   8.957 -10.777   3.692
  870   HN61  ATP 201          2H6       ATP 111   5.689  -7.041   3.124
  871   HN62  ATP 201          1H6       ATP 111   4.103  -6.843   3.879
  872    H2   ATP 201           2H       ATP 111   3.234 -10.059   6.510
  Start of MODEL   19
    1    HA   PRO   1           HA       PRO   1  26.292   6.050 -13.651
    2    HB2  PRO   1           1HB      PRO   1  27.697   5.428 -16.246
    3    HB3  PRO   1           2HB      PRO   1  26.732   6.862 -15.785
    4    HG2  PRO   1           1HG      PRO   1  29.604   6.476 -15.561
    5    HG3  PRO   1           2HG      PRO   1  28.676   7.896 -14.995
    6    HD2  PRO   1           1HD      PRO   1  29.976   6.174 -13.267
    7    HD3  PRO   1           2HD      PRO   1  28.515   7.097 -12.843
    8    H    SER   2           H        SER   2  24.541   5.243 -15.131
    9    HA   SER   2           HA       SER   2  24.479   2.504 -16.033
   10    HB2  SER   2           1HB      SER   2  24.291   2.249 -13.505
   11    HB3  SER   2           2HB      SER   2  22.752   3.117 -13.610
   12    HG   SER   2           HG       SER   2  22.545   0.788 -13.689
   13    H    SER   3           H        SER   3  21.969   1.964 -16.422
   14    HA   SER   3           HA       SER   3  20.195   4.141 -17.123
   15    HB2  SER   3           1HB      SER   3  21.814   2.815 -19.332
   16    HB3  SER   3           2HB      SER   3  20.227   3.538 -19.627
   17    HG   SER   3           HG       SER   3  22.244   5.027 -18.316
   18    H    GLY   4           H        GLY   4  18.143   3.415 -17.697
   19    HA2  GLY   4           1HA      GLY   4  16.417   1.901 -18.142
   20    HA3  GLY   4           2HA      GLY   4  17.556   0.542 -18.091
   21    H    SER   5           H        SER   5  15.107   0.322 -16.944
   22    HA   SER   5           HA       SER   5  15.642  -0.330 -14.174
   23    HB2  SER   5           1HB      SER   5  13.906   1.174 -13.205
   24    HB3  SER   5           2HB      SER   5  15.326   2.029 -13.791
   25    HG   SER   5           HG       SER   5  12.791   1.833 -15.114
   26    H    SER   6           H        SER   6  13.877  -1.516 -13.155
   27    HA   SER   6           HA       SER   6  12.044  -2.833 -15.049
   28    HB2  SER   6           1HB      SER   6  11.525  -4.226 -13.045
   29    HB3  SER   6           2HB      SER   6  13.235  -4.218 -13.502
   30    HG   SER   6           HG       SER   6  12.932  -3.947 -11.221
   31    H    GLY   7           H        GLY   7  11.862  -0.136 -12.939
   32    HA2  GLY   7           1HA      GLY   7   8.901  -0.198 -12.645
   33    HA3  GLY   7           2HA      GLY   7  10.022   0.981 -11.938
   34    H    PHE   8           H        PHE   8   7.843   1.995 -12.989
   35    HA   PHE   8           HA       PHE   8   8.582   3.206 -15.607
   36    HB2  PHE   8           1HB      PHE   8   5.902   2.149 -14.616
   37    HB3  PHE   8           2HB      PHE   8   6.122   3.097 -16.063
   38    HD1  PHE   8           1HD      PHE   8   7.465   2.185 -18.006
   39    HD2  PHE   8           2HD      PHE   8   6.404  -0.235 -14.597
   40    HE1  PHE   8           1HE      PHE   8   7.960   0.128 -19.308
   41    HE2  PHE   8           2HE      PHE   8   6.906  -2.288 -15.899
   42    HZ   PHE   8           HZ       PHE   8   7.682  -2.111 -18.256
   43    H    LEU   9           H        LEU   9   7.599   5.238 -16.038
   44    HA   LEU   9           HA       LEU   9   7.364   6.967 -13.635
   45    HB2  LEU   9           1HB      LEU   9   9.178   7.327 -15.348
   46    HB3  LEU   9           2HB      LEU   9   7.931   7.636 -16.553
   47    HG   LEU   9           HG       LEU   9   7.194   9.641 -15.260
   48   HD11  LEU   9          1HD1      LEU   9   7.892   9.015 -12.977
   49   HD12  LEU   9          2HD1      LEU   9   9.596   9.000 -13.482
   50   HD13  LEU   9          3HD1      LEU   9   8.677  10.520 -13.459
   51   HD21  LEU   9          3HD2      LEU   9   9.145  11.031 -15.818
   52   HD22  LEU   9          1HD2      LEU   9  10.164   9.579 -15.939
   53   HD23  LEU   9          2HD2      LEU   9   8.832   9.838 -17.089
   54    H    ASP  10           H        ASP  10   5.745   8.572 -13.489
   55    HA   ASP  10           HA       ASP  10   3.116   7.859 -14.453
   56    HB2  ASP  10           1HB      ASP  10   2.356   9.750 -13.196
   57    HB3  ASP  10           2HB      ASP  10   3.536   8.866 -12.241
   58    H    LYS  11           H        LYS  11   1.648   9.352 -15.567
   59    HA   LYS  11           HA       LYS  11   2.939  10.853 -17.782
   60    HB2  LYS  11           1HB      LYS  11   0.957   8.548 -17.817
   61    HB3  LYS  11           2HB      LYS  11   0.965   9.707 -19.122
   62    HG2  LYS  11           1HG      LYS  11   3.713   9.034 -18.738
   63    HG3  LYS  11           2HG      LYS  11   2.837   7.516 -18.583
   64    HD2  LYS  11           1HD      LYS  11   2.608   9.487 -20.904
   65    HD3  LYS  11           2HD      LYS  11   3.606   8.023 -20.900
   66    HE2  LYS  11           1HE      LYS  11   1.576   6.620 -20.558
   67    HE3  LYS  11           2HE      LYS  11   0.565   8.070 -20.601
   68    HZ1  LYS  11           3HZ      LYS  11   0.631   6.975 -22.757
   69    HZ2  LYS  11           1HZ      LYS  11   1.322   8.450 -22.884
   70    HZ3  LYS  11           2HZ      LYS  11   2.256   7.105 -22.842
   71    HA   PRO  12           HA       PRO  12   0.036  14.057 -17.162
   72    HB2  PRO  12           1HB      PRO  12  -0.135  15.235 -19.617
   73    HB3  PRO  12           2HB      PRO  12   1.379  15.165 -18.688
   74    HG2  PRO  12           1HG      PRO  12   0.459  13.308 -20.911
   75    HG3  PRO  12           2HG      PRO  12   2.040  14.141 -20.759
   76    HD2  PRO  12           1HD      PRO  12   1.628  11.548 -19.951
   77    HD3  PRO  12           2HD      PRO  12   2.784  12.615 -19.135
   78    H    THR  13           H        THR  13  -1.930  15.164 -18.406
   79    HA   THR  13           HA       THR  13  -3.881  13.299 -19.508
   80    HB   THR  13           HB       THR  13  -4.109  12.994 -17.046
   81    HG1  THR  13           1HG      THR  13  -6.251  13.027 -17.190
   82   HG21  THR  13          3HG2      THR  13  -4.938  14.749 -15.634
   83   HG22  THR  13          1HG2      THR  13  -3.485  15.373 -16.412
   84   HG23  THR  13          2HG2      THR  13  -5.086  15.881 -16.997
   85    H    LEU  14           H        LEU  14  -5.867  14.311 -20.061
   86    HA   LEU  14           HA       LEU  14  -5.404  17.016 -21.258
   87    HB2  LEU  14           1HB      LEU  14  -7.275  14.800 -22.174
   88    HB3  LEU  14           2HB      LEU  14  -6.902  16.286 -23.021
   89    HG   LEU  14           HG       LEU  14  -4.370  14.974 -22.525
   90   HD11  LEU  14          1HD1      LEU  14  -5.656  12.903 -22.152
   91   HD12  LEU  14          2HD1      LEU  14  -6.433  13.092 -23.741
   92   HD13  LEU  14          3HD1      LEU  14  -4.678  12.818 -23.630
   93   HD21  LEU  14          3HD2      LEU  14  -4.241  14.904 -24.972
   94   HD22  LEU  14          1HD2      LEU  14  -5.983  15.237 -25.098
   95   HD23  LEU  14          2HD2      LEU  14  -4.885  16.462 -24.421
   96    H    LEU  15           H        LEU  15  -7.011  15.602 -18.722
   97    HA   LEU  15           HA       LEU  15  -9.578  17.025 -18.978
   98    HB2  LEU  15           1HB      LEU  15  -8.569  15.400 -16.618
   99    HB3  LEU  15           2HB      LEU  15 -10.220  15.862 -16.982
  100    HG   LEU  15           HG       LEU  15  -8.546  13.846 -18.532
  101   HD11  LEU  15          1HD1      LEU  15  -9.384  13.084 -16.324
  102   HD12  LEU  15          2HD1      LEU  15 -11.039  13.498 -16.818
  103   HD13  LEU  15          3HD1      LEU  15 -10.150  12.216 -17.664
  104   HD21  LEU  15          3HD2      LEU  15 -10.634  13.373 -19.804
  105   HD22  LEU  15          1HD2      LEU  15 -11.406  14.779 -19.037
  106   HD23  LEU  15          2HD2      LEU  15 -10.012  14.993 -20.124
  107    H    SER  16           H        SER  16 -10.316  17.818 -16.670
  108    HA   SER  16           HA       SER  16  -8.682  20.174 -15.951
  109    HB2  SER  16           1HB      SER  16 -11.575  19.352 -15.747
  110    HB3  SER  16           2HB      SER  16 -10.963  20.621 -14.752
  111    HG   SER  16           HG       SER  16 -11.831  21.410 -16.767
  112    HA   PRO  17           HA       PRO  17  -7.596  18.598 -11.954
  113    HB2  PRO  17           1HB      PRO  17  -7.944  20.766 -10.301
  114    HB3  PRO  17           2HB      PRO  17  -6.609  20.615 -11.482
  115    HG2  PRO  17           1HG      PRO  17  -9.241  22.082 -11.830
  116    HG3  PRO  17           2HG      PRO  17  -7.587  22.664 -12.211
  117    HD2  PRO  17           1HD      PRO  17  -9.199  21.639 -14.133
  118    HD3  PRO  17           2HD      PRO  17  -7.436  21.317 -14.129
  119    H    GLU  18           H        GLU  18 -10.775  20.045 -12.395
  120    HA   GLU  18           HA       GLU  18 -11.956  18.993  -9.960
  121    HB2  GLU  18           1HB      GLU  18 -13.302  19.906 -12.534
  122    HB3  GLU  18           2HB      GLU  18 -14.070  19.716 -10.961
  123    HG2  GLU  18           1HG      GLU  18 -11.927  21.763 -11.697
  124    HG3  GLU  18           2HG      GLU  18 -13.642  22.074 -11.496
  125    H    GLU  19           H        GLU  19 -11.549  17.748 -13.253
  126    HA   GLU  19           HA       GLU  19 -13.589  15.683 -13.161
  127    HB2  GLU  19           1HB      GLU  19 -11.170  16.272 -14.892
  128    HB3  GLU  19           2HB      GLU  19 -12.061  14.790 -15.090
  129    HG2  GLU  19           1HG      GLU  19 -13.208  17.605 -15.337
  130    HG3  GLU  19           2HG      GLU  19 -12.702  16.578 -16.675
  131    H    LEU  20           H        LEU  20 -10.074  15.695 -12.876
  132    HA   LEU  20           HA       LEU  20  -9.639  12.923 -12.367
  133    HB2  LEU  20           1HB      LEU  20  -8.015  15.335 -11.471
  134    HB3  LEU  20           2HB      LEU  20  -7.392  13.704 -11.633
  135    HG   LEU  20           HG       LEU  20  -8.599  15.022 -14.093
  136   HD11  LEU  20          1HD1      LEU  20  -7.184  16.701 -12.972
  137   HD12  LEU  20          2HD1      LEU  20  -5.796  15.599 -13.105
  138   HD13  LEU  20          3HD1      LEU  20  -6.605  16.225 -14.579
  139   HD21  LEU  20          3HD2      LEU  20  -6.979  13.685 -15.270
  140   HD22  LEU  20          1HD2      LEU  20  -6.207  13.176 -13.752
  141   HD23  LEU  20          2HD2      LEU  20  -7.859  12.642 -14.144
  142    H    LYS  21           H        LYS  21  -9.811  15.692 -10.114
  143    HA   LYS  21           HA       LYS  21  -9.822  14.145  -7.687
  144    HB2  LYS  21           1HB      LYS  21 -10.689  16.931  -8.425
  145    HB3  LYS  21           2HB      LYS  21 -11.222  16.273  -6.893
  146    HG2  LYS  21           1HG      LYS  21  -9.147  17.608  -6.716
  147    HG3  LYS  21           2HG      LYS  21  -9.034  15.979  -6.055
  148    HD2  LYS  21           1HD      LYS  21  -7.720  15.212  -7.958
  149    HD3  LYS  21           2HD      LYS  21  -7.952  16.760  -8.790
  150    HE2  LYS  21           1HE      LYS  21  -6.767  17.928  -6.942
  151    HE3  LYS  21           2HE      LYS  21  -6.542  16.385  -6.109
  152    HZ1  LYS  21           3HZ      LYS  21  -4.572  17.004  -7.372
  153    HZ2  LYS  21           1HZ      LYS  21  -5.203  15.635  -8.000
  154    HZ3  LYS  21           2HZ      LYS  21  -5.412  17.064  -8.771
  155    H    ALA  22           H        ALA  22 -12.625  15.034  -9.786
  156    HA   ALA  22           HA       ALA  22 -14.571  13.846  -8.017
  157    HB1  ALA  22           1HB      ALA  22 -15.176  15.508  -9.712
  158    HB2  ALA  22           2HB      ALA  22 -14.691  14.398 -11.013
  159    HB3  ALA  22           3HB      ALA  22 -16.073  14.002  -9.973
  160    H    ALA  23           H        ALA  23 -12.735  12.473 -10.782
  161    HA   ALA  23           HA       ALA  23 -13.881   9.851 -10.681
  162    HB1  ALA  23           1HB      ALA  23 -12.518  10.757 -12.561
  163    HB2  ALA  23           2HB      ALA  23 -11.077  10.738 -11.515
  164    HB3  ALA  23           3HB      ALA  23 -11.873   9.216 -11.958
  165    H    SER  24           H        SER  24 -11.020  11.220  -9.011
  166    HA   SER  24           HA       SER  24 -10.305   8.818  -7.630
  167    HB2  SER  24           1HB      SER  24  -8.871  10.821  -8.090
  168    HB3  SER  24           2HB      SER  24  -9.723  11.675  -6.787
  169    HG   SER  24           HG       SER  24  -7.765  10.638  -6.069
  170    H    ARG  25           H        ARG  25 -12.524  11.450  -6.684
  171    HA   ARG  25           HA       ARG  25 -13.107  10.592  -4.037
  172    HB2  ARG  25           1HB      ARG  25 -13.679  12.768  -5.151
  173    HB3  ARG  25           2HB      ARG  25 -14.960  11.948  -6.027
  174    HG2  ARG  25           1HG      ARG  25 -15.820  13.171  -4.116
  175    HG3  ARG  25           2HG      ARG  25 -16.138  11.451  -3.927
  176    HD2  ARG  25           1HD      ARG  25 -14.274  11.259  -2.325
  177    HD3  ARG  25           2HD      ARG  25 -13.837  12.950  -2.579
  178    HE   ARG  25           HE       ARG  25 -16.060  11.862  -0.997
  179   HH11  ARG  25          1HH1      ARG  25 -14.823  14.837  -2.470
  180   HH12  ARG  25          2HH1      ARG  25 -15.769  15.851  -1.422
  181   HH21  ARG  25          1HH2      ARG  25 -17.246  13.228   0.312
  182   HH22  ARG  25          2HH2      ARG  25 -17.122  14.950   0.126
  183    H    GLY  26           H        GLY  26 -14.038   9.267  -7.088
  184    HA2  GLY  26           1HA      GLY  26 -16.344   7.708  -6.319
  185    HA3  GLY  26           2HA      GLY  26 -15.317   7.486  -7.759
  186    H    ASN  27           H        ASN  27 -12.970   7.165  -5.702
  187    HA   ASN  27           HA       ASN  27 -13.016   4.278  -5.563
  188    HB2  ASN  27           1HB      ASN  27 -11.228   6.318  -4.217
  189    HB3  ASN  27           2HB      ASN  27 -10.969   4.586  -4.153
  190   HD21  ASN  27          2HD2      ASN  27  -9.808   7.224  -5.696
  191   HD22  ASN  27          1HD2      ASN  27  -9.288   6.444  -7.187
  192    H    GLY  28           H        GLY  28 -14.005   3.042  -4.190
  193    HA2  GLY  28           1HA      GLY  28 -15.257   4.130  -1.707
  194    HA3  GLY  28           2HA      GLY  28 -15.773   2.711  -2.637
  195    H    GLU  29           H        GLU  29 -12.496   2.352  -2.303
  196    HA   GLU  29           HA       GLU  29 -12.403   1.022   0.307
  197    HB2  GLU  29           1HB      GLU  29 -13.297  -0.432  -1.977
  198    HB3  GLU  29           2HB      GLU  29 -11.627  -0.852  -1.762
  199    HG2  GLU  29           1HG      GLU  29 -12.995  -2.443  -0.534
  200    HG3  GLU  29           2HG      GLU  29 -12.033  -1.502   0.591
  201    H    TYR  30           H        TYR  30 -10.202  -0.409   0.173
  202    HA   TYR  30           HA       TYR  30  -8.064   0.580  -1.454
  203    HB2  TYR  30           1HB      TYR  30  -6.796   1.812   0.150
  204    HB3  TYR  30           2HB      TYR  30  -8.369   2.566   0.016
  205    HD1  TYR  30           1HD      TYR  30 -10.173   1.822   1.794
  206    HD2  TYR  30           2HD      TYR  30  -5.952   1.073   2.233
  207    HE1  TYR  30           1HE      TYR  30 -10.484   1.509   4.257
  208    HE2  TYR  30           2HE      TYR  30  -6.258   0.711   4.678
  209    HH   TYR  30           HH       TYR  30  -7.750   0.675   6.430
  210    H    ALA  31           H        ALA  31  -6.134  -0.461  -1.144
  211    HA   ALA  31           HA       ALA  31  -5.688  -2.347   1.062
  212    HB1  ALA  31           1HB      ALA  31  -6.922  -3.813  -0.367
  213    HB2  ALA  31           2HB      ALA  31  -6.153  -3.187  -1.834
  214    HB3  ALA  31           3HB      ALA  31  -5.229  -4.189  -0.686
  215    H    TRP  32           H        TRP  32  -3.537  -3.161   1.079
  216    HA   TRP  32           HA       TRP  32  -1.556  -1.722  -0.634
  217    HB2  TRP  32           1HB      TRP  32  -1.388  -2.409   2.318
  218    HB3  TRP  32           2HB      TRP  32   0.017  -2.066   1.327
  219    HD1  TRP  32           HD       TRP  32  -3.282  -0.209   2.177
  220    HE1  TRP  32           1HE      TRP  32  -2.795   2.301   2.308
  221    HE3  TRP  32           3HE      TRP  32   1.709  -0.281   0.981
  222    HZ2  TRP  32           2HZ      TRP  32  -0.457   4.008   2.297
  223    HZ3  TRP  32           3HZ      TRP  32   3.022   1.823   1.033
  224    HH2  TRP  32           HH       TRP  32   1.956   3.959   1.723
  225    H    TYR  33           H        TYR  33   0.194  -2.905  -1.320
  226    HA   TYR  33           HA       TYR  33   0.179  -5.858  -0.919
  227    HB2  TYR  33           1HB      TYR  33   0.177  -4.384  -3.578
  228    HB3  TYR  33           2HB      TYR  33   0.604  -6.071  -3.396
  229    HD1  TYR  33           1HD      TYR  33  -2.243  -3.665  -2.906
  230    HD2  TYR  33           2HD      TYR  33  -1.014  -7.751  -3.564
  231    HE1  TYR  33           1HE      TYR  33  -4.623  -4.328  -3.226
  232    HE2  TYR  33           2HE      TYR  33  -3.386  -8.407  -3.900
  233    HH   TYR  33           HH       TYR  33  -5.581  -7.705  -3.943
  234    H    TYR  34           H        TYR  34   2.166  -6.896  -1.377
  235    HA   TYR  34           HA       TYR  34   4.543  -5.191  -1.928
  236    HB2  TYR  34           1HB      TYR  34   5.821  -6.217  -0.200
  237    HB3  TYR  34           2HB      TYR  34   4.366  -5.553   0.515
  238    HD1  TYR  34           2HD      TYR  34   2.507  -7.090   1.267
  239    HD2  TYR  34           1HD      TYR  34   6.309  -8.588  -0.121
  240    HE1  TYR  34           2HE      TYR  34   2.008  -9.292   2.293
  241    HE2  TYR  34           1HE      TYR  34   5.818 -10.792   0.918
  242    HH   TYR  34           HH       TYR  34   2.753 -11.441   2.670
  243    H    GLU  35           H        GLU  35   6.270  -6.272  -3.026
  244    HA   GLU  35           HA       GLU  35   5.438  -8.672  -4.529
  245    HB2  GLU  35           1HB      GLU  35   7.980  -7.012  -4.675
  246    HB3  GLU  35           2HB      GLU  35   7.654  -8.468  -5.625
  247    HG2  GLU  35           1HG      GLU  35   5.473  -7.276  -6.375
  248    HG3  GLU  35           2HG      GLU  35   6.235  -5.805  -5.756
  249    H    GLY  36           H        GLY  36   5.422 -10.480  -3.387
  250    HA2  GLY  36           1HA      GLY  36   7.702 -11.316  -1.655
  251    HA3  GLY  36           2HA      GLY  36   6.194 -12.203  -1.944
  252    H    ARG  37           H        ARG  37   7.491 -14.083  -2.315
  253    HA   ARG  37           HA       ARG  37   9.560 -14.317  -4.238
  254    HB2  ARG  37           1HB      ARG  37   7.590 -16.386  -3.173
  255    HB3  ARG  37           2HB      ARG  37   9.016 -16.786  -4.124
  256    HG2  ARG  37           1HG      ARG  37   9.047 -15.450  -1.383
  257    HG3  ARG  37           2HG      ARG  37   9.357 -17.150  -1.730
  258    HD2  ARG  37           1HD      ARG  37  11.281 -16.399  -3.225
  259    HD3  ARG  37           2HD      ARG  37  11.073 -14.774  -2.569
  260    HE   ARG  37           HE       ARG  37  12.142 -17.164  -1.229
  261   HH11  ARG  37          1HH1      ARG  37  10.999 -13.853  -0.631
  262   HH12  ARG  37          2HH1      ARG  37  11.759 -13.803   0.946
  263   HH21  ARG  37          1HH2      ARG  37  12.978 -17.034   0.838
  264   HH22  ARG  37          2HH2      ARG  37  12.672 -15.616   1.814
  265    H    ASN  38           H        ASN  38   6.078 -14.920  -4.635
  266    HA   ASN  38           HA       ASN  38   6.486 -15.612  -7.498
  267    HB2  ASN  38           1HB      ASN  38   4.217 -16.179  -5.576
  268    HB3  ASN  38           2HB      ASN  38   4.245 -16.690  -7.262
  269   HD21  ASN  38          2HD2      ASN  38   4.192 -18.308  -4.707
  270   HD22  ASN  38          1HD2      ASN  38   5.574 -19.378  -4.860
  271    H    GLY  39           H        GLY  39   5.320 -12.897  -5.778
  272    HA2  GLY  39           1HA      GLY  39   4.928 -11.145  -7.784
  273    HA3  GLY  39           2HA      GLY  39   3.396 -12.004  -7.832
  274    H    TRP  40           H        TRP  40   2.506  -9.847  -7.344
  275    HA   TRP  40           HA       TRP  40   2.834  -8.563  -4.816
  276    HB2  TRP  40           1HB      TRP  40   0.532  -8.561  -6.801
  277    HB3  TRP  40           2HB      TRP  40   0.685  -7.469  -5.434
  278    HD1  TRP  40           HD       TRP  40   1.704  -7.857  -8.982
  279    HE1  TRP  40           1HE      TRP  40   3.257  -5.968  -9.712
  280    HE3  TRP  40           3HE      TRP  40   2.745  -5.861  -4.390
  281    HZ2  TRP  40           2HZ      TRP  40   4.635  -3.722  -8.473
  282    HZ3  TRP  40           3HZ      TRP  40   4.170  -3.851  -4.194
  283    HH2  TRP  40           HH       TRP  40   5.095  -2.751  -6.214
  284    H    TRP  41           H        TRP  41   2.110  -9.069  -2.866
  285    HA   TRP  41           HA       TRP  41  -0.337 -10.748  -2.525
  286    HB2  TRP  41           1HB      TRP  41   2.229 -10.870  -0.891
  287    HB3  TRP  41           2HB      TRP  41   0.747 -11.776  -0.565
  288    HD1  TRP  41           HD       TRP  41   3.961 -12.345  -2.041
  289    HE1  TRP  41           1HE      TRP  41   3.985 -14.173  -3.838
  290    HE3  TRP  41           3HE      TRP  41  -1.085 -12.886  -2.719
  291    HZ2  TRP  41           2HZ      TRP  41   2.073 -15.469  -5.572
  292    HZ3  TRP  41           3HZ      TRP  41  -1.956 -14.385  -4.461
  293    HH2  TRP  41           HH       TRP  41  -0.395 -15.688  -5.915
  294    H    GLN  42           H        GLN  42  -1.753 -10.137  -0.946
  295    HA   GLN  42           HA       GLN  42  -1.662  -7.284  -0.357
  296    HB2  GLN  42           1HB      GLN  42  -3.660  -8.676  -1.217
  297    HB3  GLN  42           2HB      GLN  42  -3.828  -9.254   0.444
  298    HG2  GLN  42           1HG      GLN  42  -3.969  -6.807   1.161
  299    HG3  GLN  42           2HG      GLN  42  -3.999  -6.366  -0.541
  300   HE21  GLN  42          2HE2      GLN  42  -6.061  -6.229   1.802
  301   HE22  GLN  42          1HE2      GLN  42  -7.498  -6.923   1.067
  302    H    TYR  43           H        TYR  43  -1.540  -6.271   1.603
  303    HA   TYR  43           HA       TYR  43  -0.598  -7.677   3.985
  304    HB2  TYR  43           1HB      TYR  43  -1.402  -4.839   3.325
  305    HB3  TYR  43           2HB      TYR  43  -1.023  -5.320   4.973
  306    HD1  TYR  43           1HD      TYR  43   1.278  -6.223   5.529
  307    HD2  TYR  43           2HD      TYR  43   0.335  -4.348   1.775
  308    HE1  TYR  43           1HE      TYR  43   3.688  -5.750   5.157
  309    HE2  TYR  43           2HE      TYR  43   2.732  -3.862   1.388
  310    HH   TYR  43           HH       TYR  43   4.840  -4.051   2.207
  311    H    ASP  44           H        ASP  44  -1.636  -7.697   6.020
  312    HA   ASP  44           HA       ASP  44  -4.428  -8.405   6.096
  313    HB2  ASP  44           1HB      ASP  44  -2.721  -9.349   7.584
  314    HB3  ASP  44           2HB      ASP  44  -2.416  -7.759   8.288
  315    H    GLU  45           H        GLU  45  -6.093  -7.318   7.453
  316    HA   GLU  45           HA       GLU  45  -6.437  -4.578   6.610
  317    HB2  GLU  45           1HB      GLU  45  -8.563  -4.771   7.932
  318    HB3  GLU  45           2HB      GLU  45  -8.357  -5.963   6.650
  319    HG2  GLU  45           1HG      GLU  45  -7.836  -7.719   8.227
  320    HG3  GLU  45           2HG      GLU  45  -7.691  -6.572   9.554
  321    H    ARG  46           H        ARG  46  -5.113  -6.009   9.530
  322    HA   ARG  46           HA       ARG  46  -5.347  -3.454  11.017
  323    HB2  ARG  46           1HB      ARG  46  -3.932  -5.956  11.938
  324    HB3  ARG  46           2HB      ARG  46  -4.556  -4.626  12.905
  325    HG2  ARG  46           1HG      ARG  46  -6.124  -6.852  11.569
  326    HG3  ARG  46           2HG      ARG  46  -6.043  -6.429  13.274
  327    HD2  ARG  46           1HD      ARG  46  -7.302  -4.303  12.759
  328    HD3  ARG  46           2HD      ARG  46  -7.376  -4.812  11.061
  329    HE   ARG  46           HE       ARG  46  -9.078  -6.228  11.487
  330   HH11  ARG  46          1HH1      ARG  46  -7.730  -5.463  14.683
  331   HH12  ARG  46          2HH1      ARG  46  -9.044  -6.261  15.497
  332   HH21  ARG  46          1HH2      ARG  46 -10.657  -7.202  12.551
  333   HH22  ARG  46          2HH2      ARG  46 -10.703  -7.254  14.296
  334    H    THR  47           H        THR  47  -3.130  -4.972   8.898
  335    HA   THR  47           HA       THR  47  -0.809  -3.397   9.865
  336    HB   THR  47           HB       THR  47  -0.959  -5.475   7.648
  337    HG1  THR  47           1HG      THR  47   0.115  -6.711   9.274
  338   HG21  THR  47          3HG2      THR  47   1.555  -5.444   7.956
  339   HG22  THR  47          1HG2      THR  47   0.912  -3.935   7.280
  340   HG23  THR  47          2HG2      THR  47   1.358  -4.007   8.993
  341    H    SER  48           H        SER  48  -2.661  -3.879   6.810
  342    HA   SER  48           HA       SER  48  -1.375  -1.810   5.346
  343    HB2  SER  48           1HB      SER  48  -3.318  -1.880   3.858
  344    HB3  SER  48           2HB      SER  48  -2.716  -3.491   4.240
  345    HG   SER  48           HG       SER  48  -4.449  -3.872   5.540
  346    H    ARG  49           H        ARG  49  -4.038  -1.568   7.672
  347    HA   ARG  49           HA       ARG  49  -4.767   1.105   7.040
  348    HB2  ARG  49           1HB      ARG  49  -6.011   1.135   9.007
  349    HB3  ARG  49           2HB      ARG  49  -6.054  -0.516   8.429
  350    HG2  ARG  49           1HG      ARG  49  -5.739  -0.818  10.695
  351    HG3  ARG  49           2HG      ARG  49  -4.123  -0.996  10.055
  352    HD2  ARG  49           1HD      ARG  49  -4.310   0.284  12.231
  353    HD3  ARG  49           2HD      ARG  49  -3.428   1.092  10.963
  354    HE   ARG  49           HE       ARG  49  -6.287   1.782  11.243
  355   HH11  ARG  49          1HH1      ARG  49  -2.970   2.791  12.074
  356   HH12  ARG  49          2HH1      ARG  49  -3.404   4.492  11.977
  357   HH21  ARG  49          1HH2      ARG  49  -6.744   3.998  11.306
  358   HH22  ARG  49          2HH2      ARG  49  -5.473   5.123  11.701
  359    H    GLU  50           H        GLU  50  -1.944  -0.127   8.769
  360    HA   GLU  50           HA       GLU  50  -1.338   2.406  10.112
  361    HB2  GLU  50           1HB      GLU  50   0.493   0.063   9.447
  362    HB3  GLU  50           2HB      GLU  50   0.884   1.389  10.525
  363    HG2  GLU  50           1HG      GLU  50  -1.461  -0.487  11.047
  364    HG3  GLU  50           2HG      GLU  50   0.178  -0.822  11.582
  365    H    LEU  51           H        LEU  51  -0.421   0.790   7.112
  366    HA   LEU  51           HA       LEU  51   1.487   2.712   6.140
  367    HB2  LEU  51           1HB      LEU  51  -0.244   0.786   4.540
  368    HB3  LEU  51           2HB      LEU  51   1.327   1.443   4.096
  369    HG   LEU  51           HG       LEU  51   0.817  -0.560   6.347
  370   HD11  LEU  51          1HD1      LEU  51   0.446  -1.494   4.101
  371   HD12  LEU  51          2HD1      LEU  51   2.081  -0.987   3.619
  372   HD13  LEU  51          3HD1      LEU  51   1.855  -2.197   4.904
  373   HD21  LEU  51          3HD2      LEU  51   3.295  -0.788   6.347
  374   HD22  LEU  51          1HD2      LEU  51   3.398   0.588   5.224
  375   HD23  LEU  51          2HD2      LEU  51   2.757   0.810   6.869
  376    H    GLU  52           H        GLU  52  -1.983   2.171   5.496
  377    HA   GLU  52           HA       GLU  52  -2.440   4.352   3.763
  378    HB2  GLU  52           1HB      GLU  52  -3.930   2.331   4.257
  379    HB3  GLU  52           2HB      GLU  52  -4.376   3.122   5.761
  380    HG2  GLU  52           1HG      GLU  52  -6.122   3.552   4.237
  381    HG3  GLU  52           2HG      GLU  52  -5.267   5.066   4.405
  382    H    ASP  53           H        ASP  53  -2.260   4.293   7.319
  383    HA   ASP  53           HA       ASP  53  -3.463   6.935   7.666
  384    HB2  ASP  53           1HB      ASP  53  -3.527   4.946   9.250
  385    HB3  ASP  53           2HB      ASP  53  -1.848   5.267   9.638
  386    H    ALA  54           H        ALA  54  -0.239   5.522   7.626
  387    HA   ALA  54           HA       ALA  54   1.280   7.688   8.589
  388    HB1  ALA  54           1HB      ALA  54   2.159   5.483   8.454
  389    HB2  ALA  54           2HB      ALA  54   1.945   5.415   6.696
  390    HB3  ALA  54           3HB      ALA  54   3.170   6.505   7.398
  391    H    PHE  55           H        PHE  55   0.621   7.006   5.081
  392    HA   PHE  55           HA       PHE  55   1.974   9.427   4.263
  393    HB2  PHE  55           1HB      PHE  55   1.534   8.844   2.130
  394    HB3  PHE  55           2HB      PHE  55   1.377   7.266   2.868
  395    HD1  PHE  55           1HD      PHE  55  -0.910   6.274   3.240
  396    HD2  PHE  55           2HD      PHE  55  -0.320   9.947   1.071
  397    HE1  PHE  55           1HE      PHE  55  -3.153   6.033   2.206
  398    HE2  PHE  55           2HE      PHE  55  -2.565   9.699   0.033
  399    HZ   PHE  55           HZ       PHE  55  -3.984   7.733   0.599
  400    H    SER  56           H        SER  56  -1.089   8.847   5.593
  401    HA   SER  56           HA       SER  56  -2.365  11.347   4.670
  402    HB2  SER  56           1HB      SER  56  -3.481   9.044   5.190
  403    HB3  SER  56           2HB      SER  56  -3.388   9.554   6.877
  404    HG   SER  56           HG       SER  56  -5.383  10.169   5.863
  405    H    LYS  57           H        LYS  57  -0.632  10.170   7.544
  406    HA   LYS  57           HA       LYS  57  -1.181  12.461   9.256
  407    HB2  LYS  57           1HB      LYS  57   0.837  10.192   9.243
  408    HB3  LYS  57           2HB      LYS  57   0.878  11.467  10.462
  409    HG2  LYS  57           1HG      LYS  57  -1.113  10.808  11.476
  410    HG3  LYS  57           2HG      LYS  57  -1.712   9.974  10.041
  411    HD2  LYS  57           1HD      LYS  57  -1.019   8.355  11.784
  412    HD3  LYS  57           2HD      LYS  57  -0.119   8.192  10.290
  413    HE2  LYS  57           1HE      LYS  57   1.616   8.019  11.779
  414    HE3  LYS  57           2HE      LYS  57   1.676   9.737  11.439
  415    HZ1  LYS  57           3HZ      LYS  57   1.751   9.354  13.830
  416    HZ2  LYS  57           1HZ      LYS  57   0.366  10.138  13.466
  417    HZ3  LYS  57           2HZ      LYS  57   0.336   8.540  13.804
  418    H    GLY  58           H        GLY  58   1.533  11.504   7.139
  419    HA2  GLY  58           1HA      GLY  58   2.521  13.401   5.820
  420    HA3  GLY  58           2HA      GLY  58   2.719  14.259   7.365
  421    H    LYS  59           H        LYS  59   3.372  11.113   8.213
  422    HA   LYS  59           HA       LYS  59   6.233  11.498   8.075
  423    HB2  LYS  59           1HB      LYS  59   6.317   9.097   8.872
  424    HB3  LYS  59           2HB      LYS  59   5.531  10.253   9.928
  425    HG2  LYS  59           1HG      LYS  59   3.348   9.454   9.421
  426    HG3  LYS  59           2HG      LYS  59   3.935   8.574   8.003
  427    HD2  LYS  59           1HD      LYS  59   3.411   7.077   9.900
  428    HD3  LYS  59           2HD      LYS  59   5.079   6.966   9.377
  429    HE2  LYS  59           1HE      LYS  59   5.786   8.412  11.276
  430    HE3  LYS  59           2HE      LYS  59   4.108   8.503  11.824
  431    HZ1  LYS  59           3HZ      LYS  59   5.321   6.776  13.011
  432    HZ2  LYS  59           1HZ      LYS  59   4.172   6.054  12.096
  433    HZ3  LYS  59           2HZ      LYS  59   5.731   6.020  11.624
  434    H    LYS  60           H        LYS  60   7.743  10.258   7.021
  435    HA   LYS  60           HA       LYS  60   6.976   9.611   4.216
  436    HB2  LYS  60           1HB      LYS  60   9.101  10.269   3.573
  437    HB3  LYS  60           2HB      LYS  60   8.611  11.457   4.776
  438    HG2  LYS  60           1HG      LYS  60  10.049  10.279   6.458
  439    HG3  LYS  60           2HG      LYS  60  10.544   9.144   5.181
  440    HD2  LYS  60           1HD      LYS  60  11.303  11.154   3.835
  441    HD3  LYS  60           2HD      LYS  60  11.090  12.138   5.287
  442    HE2  LYS  60           1HE      LYS  60  12.855  11.085   6.428
  443    HE3  LYS  60           2HE      LYS  60  12.686   9.583   5.507
  444    HZ1  LYS  60           3HZ      LYS  60  14.667  10.794   4.839
  445    HZ2  LYS  60           1HZ      LYS  60  13.615  10.638   3.590
  446    HZ3  LYS  60           2HZ      LYS  60  13.775  12.085   4.365
  447    H    ASN  61           H        ASN  61   7.392   7.885   6.940
  448    HA   ASN  61           HA       ASN  61   7.553   5.382   5.663
  449    HB2  ASN  61           1HB      ASN  61   9.623   4.466   6.522
  450    HB3  ASN  61           2HB      ASN  61   9.997   5.836   5.487
  451   HD21  ASN  61          2HD2      ASN  61  10.346   7.914   6.598
  452   HD22  ASN  61          1HD2      ASN  61  11.187   7.920   8.141
  453    H    THR  62           H        THR  62   6.972   3.759   7.053
  454    HA   THR  62           HA       THR  62   6.676   4.363   9.967
  455    HB   THR  62           HB       THR  62   4.561   4.925   8.697
  456    HG1  THR  62           1HG      THR  62   3.368   3.862  10.417
  457   HG21  THR  62          3HG2      THR  62   3.016   3.088   8.219
  458   HG22  THR  62          1HG2      THR  62   4.470   2.904   7.223
  459   HG23  THR  62          2HG2      THR  62   4.238   1.879   8.658
  460    H    GLU  63           H        GLU  63   5.722   2.265  11.072
  461    HA   GLU  63           HA       GLU  63   7.530   0.011  10.290
  462    HB2  GLU  63           1HB      GLU  63   7.133   1.394  12.971
  463    HB3  GLU  63           2HB      GLU  63   7.831  -0.221  12.815
  464    HG2  GLU  63           1HG      GLU  63   9.573   0.623  11.325
  465    HG3  GLU  63           2HG      GLU  63   8.932   2.261  11.437
  466    H    MET  64           H        MET  64   6.882  -2.011  10.700
  467    HA   MET  64           HA       MET  64   4.234  -2.583  11.896
  468    HB2  MET  64           1HB      MET  64   3.588  -3.832   9.802
  469    HB3  MET  64           2HB      MET  64   3.584  -2.075   9.663
  470    HG2  MET  64           1HG      MET  64   5.723  -2.099   8.501
  471    HG3  MET  64           2HG      MET  64   5.917  -3.827   8.800
  472    HE1  MET  64           3HE      MET  64   5.789  -3.667   5.036
  473    HE2  MET  64           1HE      MET  64   6.752  -3.116   6.417
  474    HE3  MET  64           2HE      MET  64   6.236  -4.820   6.308
  475    H    LEU  65           H        LEU  65   3.881  -4.655  12.460
  476    HA   LEU  65           HA       LEU  65   6.235  -6.457  12.607
  477    HB2  LEU  65           1HB      LEU  65   4.536  -5.492  14.611
  478    HB3  LEU  65           2HB      LEU  65   3.807  -7.033  14.243
  479    HG   LEU  65           HG       LEU  65   5.305  -7.213  16.101
  480   HD11  LEU  65          1HD1      LEU  65   5.209  -9.183  14.623
  481   HD12  LEU  65          2HD1      LEU  65   6.667  -8.605  13.783
  482   HD13  LEU  65          3HD1      LEU  65   6.747  -9.043  15.491
  483   HD21  LEU  65          3HD2      LEU  65   7.670  -6.707  16.022
  484   HD22  LEU  65          1HD2      LEU  65   7.575  -6.309  14.295
  485   HD23  LEU  65          2HD2      LEU  65   6.742  -5.286  15.485
  486    H    ILE  66           H        ILE  66   6.105  -8.501  11.966
  487    HA   ILE  66           HA       ILE  66   3.681  -9.428  10.428
  488    HB   ILE  66           HB       ILE  66   5.013 -10.333   8.725
  489   HG12  ILE  66          1HG1      ILE  66   7.600  -9.105   9.247
  490   HG13  ILE  66          2HG1      ILE  66   7.203 -10.147  10.587
  491   HG21  ILE  66          1HG2      ILE  66   4.255  -7.961   8.609
  492   HG22  ILE  66          2HG2      ILE  66   5.868  -7.441   9.126
  493   HG23  ILE  66          3HG2      ILE  66   5.654  -8.337   7.608
  494   HD11  ILE  66          3HD1      ILE  66   8.465 -11.207   8.616
  495   HD12  ILE  66          1HD1      ILE  66   7.077 -12.095   9.249
  496   HD13  ILE  66          2HD1      ILE  66   6.916 -11.167   7.751
  497    H    ALA  67           H        ALA  67   4.940 -11.988   9.772
  498    HA   ALA  67           HA       ALA  67   4.040 -13.596  11.883
  499    HB1  ALA  67           1HB      ALA  67   4.293 -14.253   9.488
  500    HB2  ALA  67           2HB      ALA  67   6.065 -14.200   9.674
  501    HB3  ALA  67           3HB      ALA  67   5.113 -15.399  10.569
  502    H    GLY  68           H        GLY  68   7.113 -11.985  11.740
  503    HA2  GLY  68           1HA      GLY  68   7.877 -12.841  14.351
  504    HA3  GLY  68           2HA      GLY  68   8.768 -13.792  13.183
  505    H    PHE  69           H        PHE  69   8.082 -10.457  12.285
  506    HA   PHE  69           HA       PHE  69  10.797  -9.529  12.978
  507    HB2  PHE  69           1HB      PHE  69   9.852  -9.912  10.101
  508    HB3  PHE  69           2HB      PHE  69  11.291  -9.045  10.575
  509    HD1  PHE  69           2HD      PHE  69  13.255 -10.227  11.552
  510    HD2  PHE  69           1HD      PHE  69   9.836 -12.368  10.015
  511    HE1  PHE  69           2HE      PHE  69  14.605 -12.307  11.431
  512    HE2  PHE  69           1HE      PHE  69  11.194 -14.438   9.888
  513    HZ   PHE  69           HZ       PHE  69  13.578 -14.412  10.596
  514    H    LEU  70           H        LEU  70  11.138  -7.325  12.649
  515    HA   LEU  70           HA       LEU  70   8.740  -5.607  12.251
  516    HB2  LEU  70           1HB      LEU  70  10.368  -5.369  14.257
  517    HB3  LEU  70           2HB      LEU  70  11.543  -4.809  13.080
  518    HG   LEU  70           HG       LEU  70  10.652  -2.940  14.214
  519   HD11  LEU  70          1HD1      LEU  70  10.938  -2.695  11.683
  520   HD12  LEU  70          2HD1      LEU  70   9.158  -2.764  11.598
  521   HD13  LEU  70          3HD1      LEU  70   9.950  -1.487  12.514
  522   HD21  LEU  70          3HD2      LEU  70   8.252  -2.315  14.196
  523   HD22  LEU  70          1HD2      LEU  70   7.861  -3.882  13.459
  524   HD23  LEU  70          2HD2      LEU  70   8.581  -3.814  15.082
  525    H    TYR  71           H        TYR  71   8.442  -4.753  10.354
  526    HA   TYR  71           HA       TYR  71  10.734  -4.298   8.477
  527    HB2  TYR  71           1HB      TYR  71   7.866  -4.951   7.832
  528    HB3  TYR  71           2HB      TYR  71   9.026  -4.377   6.643
  529    HD1  TYR  71           1HD      TYR  71  11.490  -5.954   7.275
  530    HD2  TYR  71           2HD      TYR  71   7.355  -7.114   7.091
  531    HE1  TYR  71           1HE      TYR  71  12.145  -8.313   6.849
  532    HE2  TYR  71           2HE      TYR  71   7.998  -9.463   6.837
  533    HH   TYR  71           HH       TYR  71   9.800 -10.978   6.623
  534    H    VAL  72           H        VAL  72  11.148  -2.336   7.904
  535    HA   VAL  72           HA       VAL  72   9.464  -0.045   8.730
  536    HB   VAL  72           HB       VAL  72  12.147   0.009   7.307
  537   HG11  VAL  72          1HG1      VAL  72  10.815   2.098   7.100
  538   HG12  VAL  72          2HG1      VAL  72  10.628   2.156   8.866
  539   HG13  VAL  72          3HG1      VAL  72  12.230   2.349   8.127
  540   HG21  VAL  72          3HG2      VAL  72  13.159   0.551   9.497
  541   HG22  VAL  72          1HG2      VAL  72  11.615   0.174  10.291
  542   HG23  VAL  72          2HG2      VAL  72  12.520  -1.093   9.433
  543    H    ALA  73           H        ALA  73   7.922   0.530   7.319
  544    HA   ALA  73           HA       ALA  73   8.113  -0.110   4.415
  545    HB1  ALA  73           1HB      ALA  73   6.030  -0.725   5.560
  546    HB2  ALA  73           2HB      ALA  73   5.830   0.947   6.129
  547    HB3  ALA  73           3HB      ALA  73   5.747   0.581   4.392
  548    H    ASP  74           H        ASP  74   9.257   1.337   3.332
  549    HA   ASP  74           HA       ASP  74   9.418   4.175   4.091
  550    HB2  ASP  74           1HB      ASP  74  11.452   2.979   3.425
  551    HB3  ASP  74           2HB      ASP  74  10.727   2.591   1.866
  552    H    LEU  75           H        LEU  75   7.915   5.507   3.466
  553    HA   LEU  75           HA       LEU  75   6.105   4.919   1.225
  554    HB2  LEU  75           1HB      LEU  75   6.153   6.935   3.494
  555    HB3  LEU  75           2HB      LEU  75   5.095   7.147   2.122
  556    HG   LEU  75           HG       LEU  75   3.894   5.138   2.588
  557   HD11  LEU  75          1HD1      LEU  75   5.558   3.623   3.537
  558   HD12  LEU  75          2HD1      LEU  75   5.612   4.623   5.016
  559   HD13  LEU  75          3HD1      LEU  75   4.127   3.770   4.560
  560   HD21  LEU  75          3HD2      LEU  75   2.763   5.905   4.569
  561   HD22  LEU  75          1HD2      LEU  75   4.245   6.668   5.198
  562   HD23  LEU  75          2HD2      LEU  75   3.429   7.346   3.789
  563    H    GLU  76           H        GLU  76   9.037   6.722   1.637
  564    HA   GLU  76           HA       GLU  76   8.618   8.752  -0.364
  565    HB2  GLU  76           1HB      GLU  76  11.196   7.369   0.506
  566    HB3  GLU  76           2HB      GLU  76  11.087   8.736  -0.588
  567    HG2  GLU  76           1HG      GLU  76   9.847   9.884   1.403
  568    HG3  GLU  76           2HG      GLU  76  10.567   8.612   2.383
  569    H    ASN  77           H        ASN  77  10.247   5.571  -0.560
  570    HA   ASN  77           HA       ASN  77  10.284   5.688  -3.526
  571    HB2  ASN  77           1HB      ASN  77  11.723   3.881  -1.539
  572    HB3  ASN  77           2HB      ASN  77  11.978   3.909  -3.278
  573   HD21  ASN  77          2HD2      ASN  77  12.343   5.887  -0.288
  574   HD22  ASN  77          1HD2      ASN  77  13.652   6.864  -0.954
  575    H    MET  78           H        MET  78   8.312   4.419  -1.181
  576    HA   MET  78           HA       MET  78   6.783   2.742  -0.951
  577    HB2  MET  78           1HB      MET  78   6.867   2.572  -3.978
  578    HB3  MET  78           2HB      MET  78   5.654   1.843  -2.926
  579    HG2  MET  78           1HG      MET  78   6.023   4.802  -2.642
  580    HG3  MET  78           2HG      MET  78   5.381   4.220  -4.165
  581    HE1  MET  78           3HE      MET  78   3.224   4.206  -0.130
  582    HE2  MET  78           1HE      MET  78   4.766   3.341  -0.260
  583    HE3  MET  78           2HE      MET  78   4.689   5.098  -0.570
  584    H    VAL  79           H        VAL  79   8.776   1.763   0.038
  585    HA   VAL  79           HA       VAL  79   9.011  -1.014  -0.985
  586    HB   VAL  79           HB       VAL  79  11.432  -1.148  -0.608
  587   HG11  VAL  79          1HG1      VAL  79  10.615  -0.767  -2.902
  588   HG12  VAL  79          2HG1      VAL  79  10.814   0.986  -2.674
  589   HG13  VAL  79          3HG1      VAL  79  12.221  -0.091  -2.625
  590   HG21  VAL  79          3HG2      VAL  79  12.839   0.864  -0.428
  591   HG22  VAL  79          1HG2      VAL  79  11.390   1.878  -0.307
  592   HG23  VAL  79          2HG2      VAL  79  11.771   0.694   0.967
  593    H    GLN  80           H        GLN  80  10.092  -2.483   0.703
  594    HA   GLN  80           HA       GLN  80   9.880  -1.458   3.465
  595    HB2  GLN  80           1HB      GLN  80   8.408  -3.219   4.200
  596    HB3  GLN  80           2HB      GLN  80   7.665  -2.318   2.898
  597    HG2  GLN  80           1HG      GLN  80   7.136  -4.411   2.187
  598    HG3  GLN  80           2HG      GLN  80   8.657  -4.257   1.346
  599   HE21  GLN  80          2HE2      GLN  80   7.974  -6.754   1.474
  600   HE22  GLN  80          1HE2      GLN  80   8.611  -7.622   2.869
  601    H    TYR  81           H        TYR  81  11.282  -2.286   4.890
  602    HA   TYR  81           HA       TYR  81  12.996  -4.603   4.251
  603    HB2  TYR  81           1HB      TYR  81  15.045  -3.126   4.563
  604    HB3  TYR  81           2HB      TYR  81  14.180  -2.977   3.067
  605    HD1  TYR  81           2HD      TYR  81  14.499  -1.271   6.420
  606    HD2  TYR  81           1HD      TYR  81  13.495  -0.901   2.244
  607    HE1  TYR  81           2HE      TYR  81  14.538   1.194   6.628
  608    HE2  TYR  81           1HE      TYR  81  13.607   1.550   2.415
  609    HH   TYR  81           HH       TYR  81  14.337   3.215   5.532
  610    H    ARG  82           H        ARG  82  14.607  -5.078   5.977
  611    HA   ARG  82           HA       ARG  82  13.479  -4.791   8.667
  612    HB2  ARG  82           1HB      ARG  82  16.084  -6.041   7.681
  613    HB3  ARG  82           2HB      ARG  82  15.531  -6.047   9.365
  614    HG2  ARG  82           1HG      ARG  82  13.427  -7.189   8.652
  615    HG3  ARG  82           2HG      ARG  82  14.087  -7.294   7.004
  616    HD2  ARG  82           1HD      ARG  82  15.950  -8.666   7.816
  617    HD3  ARG  82           2HD      ARG  82  15.338  -8.547   9.480
  618    HE   ARG  82           HE       ARG  82  13.168  -9.550   8.302
  619   HH11  ARG  82          1HH1      ARG  82  16.512 -10.694   7.959
  620   HH12  ARG  82          2HH1      ARG  82  15.986 -12.301   7.505
  621   HH21  ARG  82          1HH2      ARG  82  12.609 -11.641   7.751
  622   HH22  ARG  82          2HH2      ARG  82  13.867 -12.832   7.471
  623    H    ARG  83           H        ARG  83  14.368  -3.694  10.415
  624    HA   ARG  83           HA       ARG  83  15.324  -1.090  10.032
  625    HB2  ARG  83           1HB      ARG  83  15.412  -2.934  12.447
  626    HB3  ARG  83           2HB      ARG  83  15.979  -1.263  12.513
  627    HG2  ARG  83           1HG      ARG  83  13.792  -0.401  11.885
  628    HG3  ARG  83           2HG      ARG  83  13.170  -2.041  11.654
  629    HD2  ARG  83           1HD      ARG  83  12.439  -1.101  13.821
  630    HD3  ARG  83           2HD      ARG  83  13.404  -2.557  14.009
  631    HE   ARG  83           HE       ARG  83  15.131  -1.356  14.992
  632   HH11  ARG  83          1HH1      ARG  83  12.597   0.976  14.052
  633   HH12  ARG  83          2HH1      ARG  83  13.438   2.282  14.836
  634   HH21  ARG  83          1HH2      ARG  83  16.085   0.375  16.009
  635   HH22  ARG  83          2HH2      ARG  83  15.341   1.943  15.955
  636    H    ASN  84           H        ASN  84  17.323  -3.998  10.223
  637    HA   ASN  84           HA       ASN  84  19.742  -2.737  11.025
  638    HB2  ASN  84           1HB      ASN  84  19.170  -5.199  11.109
  639    HB3  ASN  84           2HB      ASN  84  19.458  -5.271   9.366
  640   HD21  ASN  84          2HD2      ASN  84  21.620  -5.752   8.758
  641   HD22  ASN  84          1HD2      ASN  84  22.974  -5.543   9.855
  642    H    GLU  85           H        GLU  85  18.293  -2.980   7.775
  643    HA   GLU  85           HA       GLU  85  20.342  -1.306   6.596
  644    HB2  GLU  85           1HB      GLU  85  21.274  -2.936   5.037
  645    HB3  GLU  85           2HB      GLU  85  21.620  -3.365   6.702
  646    HG2  GLU  85           1HG      GLU  85  19.450  -4.905   6.445
  647    HG3  GLU  85           2HG      GLU  85  19.801  -4.730   4.725
  648    H    HIS  86           H        HIS  86  19.499  -0.161   4.999
  649    HA   HIS  86           HA       HIS  86  16.859  -0.556   3.973
  650    HB2  HIS  86           1HB      HIS  86  17.393   1.317   2.531
  651    HB3  HIS  86           2HB      HIS  86  17.966   1.618   4.171
  652    HD2  HIS  86           2HD      HIS  86  20.551   2.018   4.510
  653    HE1  HIS  86           1HE      HIS  86  21.830   1.422   0.493
  654    HE2  HIS  86           2HE      HIS  86  22.557   2.183   2.813
  655    H    GLY  87           H        GLY  87  19.809  -1.975   3.008
  656    HA2  GLY  87           1HA      GLY  87  19.226  -2.566   0.226
  657    HA3  GLY  87           2HA      GLY  87  20.476  -3.329   1.234
  658    H    ARG  88           H        ARG  88  18.120  -4.043   3.163
  659    HA   ARG  88           HA       ARG  88  17.417  -6.627   1.944
  660    HB2  ARG  88           1HB      ARG  88  18.264  -6.599   4.169
  661    HB3  ARG  88           2HB      ARG  88  17.105  -5.395   4.701
  662    HG2  ARG  88           1HG      ARG  88  16.788  -7.779   5.511
  663    HG3  ARG  88           2HG      ARG  88  15.385  -6.930   4.914
  664    HD2  ARG  88           1HD      ARG  88  15.720  -8.172   2.672
  665    HD3  ARG  88           2HD      ARG  88  16.978  -9.098   3.486
  666    HE   ARG  88           HE       ARG  88  15.348 -10.392   4.424
  667   HH11  ARG  88          1HH1      ARG  88  13.706  -7.339   3.568
  668   HH12  ARG  88          2HH1      ARG  88  12.157  -7.966   4.065
  669   HH21  ARG  88          1HH2      ARG  88  13.369 -11.127   4.882
  670   HH22  ARG  88          2HH2      ARG  88  11.976 -10.083   4.892
  671    H    ARG  89           H        ARG  89  16.310  -4.552   0.460
  672    HA   ARG  89           HA       ARG  89  13.554  -4.179   1.419
  673    HB2  ARG  89           1HB      ARG  89  13.387  -2.259   0.012
  674    HB3  ARG  89           2HB      ARG  89  14.801  -2.178   1.052
  675    HG2  ARG  89           1HG      ARG  89  16.278  -2.734  -0.814
  676    HG3  ARG  89           2HG      ARG  89  14.875  -2.859  -1.906
  677    HD2  ARG  89           1HD      ARG  89  14.327  -0.515  -1.543
  678    HD3  ARG  89           2HD      ARG  89  15.579  -0.348  -0.323
  679    HE   ARG  89           HE       ARG  89  15.932  -0.514  -3.259
  680   HH11  ARG  89          1HH1      ARG  89  17.591  -0.417  -0.140
  681   HH12  ARG  89          2HH1      ARG  89  19.048   0.248  -0.823
  682   HH21  ARG  89          1HH2      ARG  89  17.870   0.242  -4.103
  683   HH22  ARG  89          2HH2      ARG  89  19.223   0.536  -3.055
  684    H    ARG  90           H        ARG  90  11.751  -4.362   0.337
  685    HA   ARG  90           HA       ARG  90  11.640  -5.668  -2.355
  686    HB2  ARG  90           1HB      ARG  90   9.880  -6.226   0.075
  687    HB3  ARG  90           2HB      ARG  90   9.597  -6.867  -1.534
  688    HG2  ARG  90           1HG      ARG  90  11.986  -7.496   0.260
  689    HG3  ARG  90           2HG      ARG  90  10.597  -8.537  -0.024
  690    HD2  ARG  90           1HD      ARG  90  12.611  -7.682  -2.145
  691    HD3  ARG  90           2HD      ARG  90  12.576  -9.239  -1.314
  692    HE   ARG  90           HE       ARG  90  10.019  -8.939  -2.424
  693   HH11  ARG  90          1HH1      ARG  90  13.297  -9.162  -3.765
  694   HH12  ARG  90          2HH1      ARG  90  12.723  -9.890  -5.236
  695   HH21  ARG  90          1HH2      ARG  90   9.380  -9.907  -4.248
  696   HH22  ARG  90          2HH2      ARG  90  10.509 -10.314  -5.515
  697    H    LYS  91           H        LYS  91   9.975  -4.901  -3.682
  698    HA   LYS  91           HA       LYS  91   9.039  -2.218  -3.257
  699    HB2  LYS  91           1HB      LYS  91   8.864  -4.352  -5.335
  700    HB3  LYS  91           2HB      LYS  91   7.490  -3.281  -5.321
  701    HG2  LYS  91           1HG      LYS  91  10.365  -2.283  -5.439
  702    HG3  LYS  91           2HG      LYS  91   9.406  -2.640  -6.877
  703    HD2  LYS  91           1HD      LYS  91   8.577  -0.630  -4.757
  704    HD3  LYS  91           2HD      LYS  91   9.456  -0.198  -6.217
  705    HE2  LYS  91           1HE      LYS  91   7.655  -0.679  -7.635
  706    HE3  LYS  91           2HE      LYS  91   6.864  -1.737  -6.470
  707    HZ1  LYS  91           3HZ      LYS  91   5.780   0.458  -6.705
  708    HZ2  LYS  91           1HZ      LYS  91   6.211   0.140  -5.165
  709    HZ3  LYS  91           2HZ      LYS  91   7.102   1.188  -6.078
  710    H    ILE  92           H        ILE  92   7.088  -1.332  -2.735
  711    HA   ILE  92           HA       ILE  92   4.770  -3.137  -2.245
  712    HB   ILE  92           HB       ILE  92   4.030  -2.021  -0.324
  713   HG12  ILE  92          1HG1      ILE  92   6.245  -0.037  -0.749
  714   HG13  ILE  92          2HG1      ILE  92   4.515   0.257  -0.863
  715   HG21  ILE  92          1HG2      ILE  92   5.845  -3.728  -0.029
  716   HG22  ILE  92          2HG2      ILE  92   7.010  -2.396   0.128
  717   HG23  ILE  92          3HG2      ILE  92   5.685  -2.571   1.299
  718   HD11  ILE  92          3HD1      ILE  92   5.353   1.211   1.174
  719   HD12  ILE  92          1HD1      ILE  92   4.349  -0.195   1.606
  720   HD13  ILE  92          2HD1      ILE  92   6.126  -0.302   1.655
  721    H    LYS  93           H        LYS  93   2.677  -1.922  -2.253
  722    HA   LYS  93           HA       LYS  93   2.577   0.626  -3.668
  723    HB2  LYS  93           1HB      LYS  93   1.349  -0.094  -5.599
  724    HB3  LYS  93           2HB      LYS  93   2.836  -1.032  -5.550
  725    HG2  LYS  93           1HG      LYS  93   1.647  -2.992  -4.720
  726    HG3  LYS  93           2HG      LYS  93   0.154  -2.075  -4.505
  727    HD2  LYS  93           1HD      LYS  93  -0.036  -1.683  -6.900
  728    HD3  LYS  93           2HD      LYS  93   1.459  -2.601  -7.198
  729    HE2  LYS  93           1HE      LYS  93   0.482  -4.647  -6.440
  730    HE3  LYS  93           2HE      LYS  93  -0.874  -3.815  -5.665
  731    HZ1  LYS  93           3HZ      LYS  93  -1.465  -4.872  -7.800
  732    HZ2  LYS  93           1HZ      LYS  93  -1.794  -3.275  -7.769
  733    HZ3  LYS  93           2HZ      LYS  93  -0.481  -3.835  -8.599
  734    H    ARG  94           H        ARG  94   0.365   1.401  -3.990
  735    HA   ARG  94           HA       ARG  94  -1.653   0.374  -2.030
  736    HB2  ARG  94           1HB      ARG  94  -1.350   3.077  -3.413
  737    HB3  ARG  94           2HB      ARG  94  -2.826   2.551  -2.589
  738    HG2  ARG  94           1HG      ARG  94  -1.547   2.208  -0.505
  739    HG3  ARG  94           2HG      ARG  94  -0.086   2.826  -1.292
  740    HD2  ARG  94           1HD      ARG  94  -1.008   4.613   0.002
  741    HD3  ARG  94           2HD      ARG  94  -1.287   5.006  -1.684
  742    HE   ARG  94           HE       ARG  94  -3.308   4.104   0.349
  743   HH11  ARG  94          1HH1      ARG  94  -2.814   5.393  -2.930
  744   HH12  ARG  94          2HH1      ARG  94  -4.492   5.813  -3.088
  745   HH21  ARG  94          1HH2      ARG  94  -5.366   4.778   0.123
  746   HH22  ARG  94          2HH2      ARG  94  -5.935   5.432  -1.396
  747    H    ASP  95           H        ASP  95  -3.735  -0.067  -2.783
  748    HA   ASP  95           HA       ASP  95  -4.451   0.279  -5.597
  749    HB2  ASP  95           1HB      ASP  95  -3.275  -2.176  -4.910
  750    HB3  ASP  95           2HB      ASP  95  -5.013  -2.491  -4.777
  751    H    ILE  96           H        ILE  96  -6.703  -0.898  -5.902
  752    HA   ILE  96           HA       ILE  96  -8.494  -0.167  -3.606
  753    HB   ILE  96           HB       ILE  96  -8.855   0.526  -6.535
  754   HG12  ILE  96          1HG1      ILE  96  -7.140   1.973  -5.473
  755   HG13  ILE  96          2HG1      ILE  96  -8.574   2.850  -5.969
  756   HG21  ILE  96          1HG2      ILE  96 -11.042   0.180  -5.570
  757   HG22  ILE  96          2HG2      ILE  96 -10.607   1.036  -4.070
  758   HG23  ILE  96          3HG2      ILE  96 -10.809   1.922  -5.598
  759   HD11  ILE  96          3HD1      ILE  96  -7.673   3.506  -3.701
  760   HD12  ILE  96          1HD1      ILE  96  -9.380   3.007  -3.710
  761   HD13  ILE  96          2HD1      ILE  96  -8.153   1.888  -3.124
  762    H    ILE  97           H        ILE  97 -10.213  -1.397  -3.314
  763    HA   ILE  97           HA       ILE  97 -10.593  -3.869  -4.945
  764    HB   ILE  97           HB       ILE  97 -11.887  -3.085  -2.336
  765   HG12  ILE  97          1HG1      ILE  97 -10.438  -5.176  -1.611
  766   HG13  ILE  97          2HG1      ILE  97  -9.389  -4.666  -2.922
  767   HG21  ILE  97          1HG2      ILE  97 -13.311  -4.551  -3.550
  768   HG22  ILE  97          2HG2      ILE  97 -11.963  -5.658  -3.928
  769   HG23  ILE  97          3HG2      ILE  97 -12.560  -5.478  -2.258
  770   HD11  ILE  97          3HD1      ILE  97  -9.056  -3.786  -0.453
  771   HD12  ILE  97          1HD1      ILE  97  -8.794  -2.680  -1.819
  772   HD13  ILE  97          2HD1      ILE  97 -10.302  -2.613  -0.868
  773    H    ASP  98           H        ASP  98 -12.377  -4.237  -6.124
  774    HA   ASP  98           HA       ASP  98 -14.326  -2.017  -6.491
  775    HB2  ASP  98           1HB      ASP  98 -12.889  -2.803  -8.389
  776    HB3  ASP  98           2HB      ASP  98 -13.693  -4.369  -8.306
  777    H    ILE  99           H        ILE  99 -14.208  -5.191  -5.281
  778    HA   ILE  99           HA       ILE  99 -15.632  -6.511  -4.165
  779    HB   ILE  99           HB       ILE  99 -17.838  -4.496  -4.604
  780   HG12  ILE  99          1HG1      ILE  99 -15.911  -3.455  -3.435
  781   HG13  ILE  99          2HG1      ILE  99 -17.350  -3.561  -2.446
  782   HG21  ILE  99          1HG2      ILE  99 -18.711  -6.691  -3.940
  783   HG22  ILE  99          2HG2      ILE  99 -17.624  -6.727  -2.548
  784   HG23  ILE  99          3HG2      ILE  99 -18.904  -5.504  -2.650
  785   HD11  ILE  99          3HD1      ILE  99 -15.187  -4.084  -1.258
  786   HD12  ILE  99          1HD1      ILE  99 -16.423  -5.346  -1.114
  787   HD13  ILE  99          2HD1      ILE  99 -15.061  -5.562  -2.231
  788    HA   PRO 100           HA       PRO 100 -17.112  -8.780  -7.701
  789    HB2  PRO 100           1HB      PRO 100 -17.529 -11.230  -6.588
  790    HB3  PRO 100           2HB      PRO 100 -15.898 -10.522  -6.765
  791    HG2  PRO 100           1HG      PRO 100 -17.687 -10.484  -4.308
  792    HG3  PRO 100           2HG      PRO 100 -15.964 -10.970  -4.409
  793    HD2  PRO 100           1HD      PRO 100 -16.724  -8.451  -3.652
  794    HD3  PRO 100           2HD      PRO 100 -15.248  -8.735  -4.617
  795    H    LYS 101           H        LYS 101 -18.981 -10.046  -8.447
  796    HA   LYS 101           HA       LYS 101 -21.494  -8.871  -7.758
  797    HB2  LYS 101           1HB      LYS 101 -22.422 -10.355  -9.429
  798    HB3  LYS 101           2HB      LYS 101 -20.911  -9.651 -10.004
  799    HG2  LYS 101           1HG      LYS 101 -19.717 -11.780  -9.454
  800    HG3  LYS 101           2HG      LYS 101 -21.248 -12.481  -8.894
  801    HD2  LYS 101           1HD      LYS 101 -22.217 -12.177 -11.156
  802    HD3  LYS 101           2HD      LYS 101 -20.687 -11.469 -11.717
  803    HE2  LYS 101           1HE      LYS 101 -19.506 -13.585 -11.148
  804    HE3  LYS 101           2HE      LYS 101 -21.031 -14.290 -10.593
  805    HZ1  LYS 101           3HZ      LYS 101 -20.524 -14.951 -12.868
  806    HZ2  LYS 101           1HZ      LYS 101 -21.886 -14.052 -12.859
  807    HZ3  LYS 101           2HZ      LYS 101 -20.476 -13.400 -13.371
  808    H    LYS 102           H        LYS 102 -19.889 -11.424  -6.194
  809    HA   LYS 102           HA       LYS 102 -22.296 -12.563  -4.908
  810    HB2  LYS 102           1HB      LYS 102 -20.256 -13.884  -5.478
  811    HB3  LYS 102           2HB      LYS 102 -19.326 -12.932  -4.311
  812    HG2  LYS 102           1HG      LYS 102 -20.806 -13.736  -2.480
  813    HG3  LYS 102           2HG      LYS 102 -21.753 -14.671  -3.645
  814    HD2  LYS 102           1HD      LYS 102 -18.789 -15.075  -3.036
  815    HD3  LYS 102           2HD      LYS 102 -20.115 -16.025  -2.348
  816    HE2  LYS 102           1HE      LYS 102 -20.782 -16.745  -4.646
  817    HE3  LYS 102           2HE      LYS 102 -19.412 -15.849  -5.316
  818    HZ1  LYS 102           3HZ      LYS 102 -18.869 -18.187  -5.014
  819    HZ2  LYS 102           1HZ      LYS 102 -17.927 -17.285  -4.030
  820    HZ3  LYS 102           2HZ      LYS 102 -19.195 -18.117  -3.415
  821    H    GLY 103           H        GLY 103 -19.894 -10.073  -4.246
  822    HA2  GLY 103           1HA      GLY 103 -20.756  -9.601  -1.455
  823    HA3  GLY 103           2HA      GLY 103 -19.498  -8.730  -2.366
  824    H    VAL 104           H        VAL 104 -20.983  -7.942  -4.622
  825    HA   VAL 104           HA       VAL 104 -22.679  -5.775  -3.619
  826    HB   VAL 104           HB       VAL 104 -22.222  -6.749  -6.473
  827   HG11  VAL 104          1HG1      VAL 104 -24.358  -5.513  -6.322
  828   HG12  VAL 104          2HG1      VAL 104 -23.553  -4.198  -5.439
  829   HG13  VAL 104          3HG1      VAL 104 -23.143  -4.525  -7.135
  830   HG21  VAL 104          3HG2      VAL 104 -20.803  -4.701  -6.660
  831   HG22  VAL 104          1HG2      VAL 104 -21.000  -4.425  -4.915
  832   HG23  VAL 104          2HG2      VAL 104 -20.154  -5.869  -5.513
  833    H    SER 105           H        SER 105 -24.701  -6.102  -2.925
  834    HA   SER 105           HA       SER 105 -26.689  -7.673  -4.345
  835    HB2  SER 105           1HB      SER 105 -25.289  -9.415  -3.102
  836    HB3  SER 105           2HB      SER 105 -25.879  -8.688  -1.599
  837    HG   SER 105           HG       SER 105 -27.172 -10.479  -2.322
  838    H    GLY 106           H        GLY 106 -28.782  -7.723  -3.095
  839    HA2  GLY 106           1HA      GLY 106 -29.341  -5.048  -1.970
  840    HA3  GLY 106           2HA      GLY 106 -30.524  -6.278  -2.451
  841    HA   PRO 107           HA       PRO 107 -30.012  -6.209   2.245
  842    HB2  PRO 107           1HB      PRO 107 -32.302  -4.955   3.016
  843    HB3  PRO 107           2HB      PRO 107 -30.847  -4.048   2.501
  844    HG2  PRO 107           1HG      PRO 107 -33.274  -4.776   0.821
  845    HG3  PRO 107           2HG      PRO 107 -32.504  -3.166   1.008
  846    HD2  PRO 107           1HD      PRO 107 -31.925  -4.814  -1.090
  847    HD3  PRO 107           2HD      PRO 107 -30.671  -3.781  -0.341
  848    H    SER 108           H        SER 108 -31.244  -7.494   3.773
  849    HA   SER 108           HA       SER 108 -32.486  -9.806   2.675
  850    HB2  SER 108           1HB      SER 108 -32.527  -8.827   5.552
  851    HB3  SER 108           2HB      SER 108 -32.771 -10.488   4.990
  852    HG   SER 108           HG       SER 108 -30.617 -10.135   5.734
  853    H    SER 109           H        SER 109 -33.958  -6.807   3.137
  854    HA   SER 109           HA       SER 109 -36.592  -7.604   4.018
  855    HB2  SER 109           1HB      SER 109 -35.746  -5.106   2.508
  856    HB3  SER 109           2HB      SER 109 -37.215  -5.324   3.474
  857    HG   SER 109           HG       SER 109 -35.587  -4.208   4.652
  858    H    GLY 110           H        GLY 110 -35.103  -8.101   0.997
  859    HA2  GLY 110           1HA      GLY 110 -37.400  -9.235  -0.249
  860    HA3  GLY 110           2HA      GLY 110 -37.176  -7.611  -0.897
  861   H5'1  ATP 201          H5"       ATP 111  11.500 -14.670   5.870
  862   H5'2  ATP 201          H5'       ATP 111  11.415 -13.021   6.485
  863    H4'  ATP 201           H4'      ATP 111   9.483 -14.452   7.125
  864    H3'  ATP 201           H3'      ATP 111   9.442 -15.400   4.527
  865   HO3'  ATP 201          H3T       ATP 111   7.136 -15.909   5.140
  866    H2'  ATP 201           H2'      ATP 111   8.764 -13.332   3.560
  867   HO2'  ATP 201          2HO       ATP 111   7.138 -14.838   2.906
  868    H1'  ATP 201           H1'      ATP 111   6.819 -12.999   5.855
  869    H8   ATP 201           8H       ATP 111   9.474 -10.872   3.910
  870   HN61  ATP 201          2H6       ATP 111   6.535  -6.973   3.291
  871   HN62  ATP 201          1H6       ATP 111   4.877  -6.661   3.802
  872    H2   ATP 201           2H       ATP 111   3.450 -10.094   6.027
  Start of MODEL   20
    1    HA   PRO   1           HA       PRO   1 -32.070  19.309  -5.707
    2    HB2  PRO   1           1HB      PRO   1 -30.890  16.780  -4.538
    3    HB3  PRO   1           2HB      PRO   1 -30.584  17.542  -6.129
    4    HG2  PRO   1           1HG      PRO   1 -29.134  17.926  -3.656
    5    HG3  PRO   1           2HG      PRO   1 -28.889  18.843  -5.172
    6    HD2  PRO   1           1HD      PRO   1 -29.844  20.002  -2.843
    7    HD3  PRO   1           2HD      PRO   1 -30.216  20.590  -4.483
    8    H    SER   2           H        SER   2 -33.070  17.073  -6.687
    9    HA   SER   2           HA       SER   2 -35.715  16.717  -5.559
   10    HB2  SER   2           1HB      SER   2 -35.884  14.973  -7.349
   11    HB3  SER   2           2HB      SER   2 -35.418  16.579  -7.924
   12    HG   SER   2           HG       SER   2 -34.121  14.893  -8.850
   13    H    SER   3           H        SER   3 -32.669  15.081  -5.044
   14    HA   SER   3           HA       SER   3 -33.816  12.837  -3.523
   15    HB2  SER   3           1HB      SER   3 -31.389  12.323  -3.171
   16    HB3  SER   3           2HB      SER   3 -31.865  12.428  -4.870
   17    HG   SER   3           HG       SER   3 -29.910  13.569  -4.487
   18    H    GLY   4           H        GLY   4 -33.880  15.956  -2.777
   19    HA2  GLY   4           1HA      GLY   4 -34.185  17.049  -0.739
   20    HA3  GLY   4           2HA      GLY   4 -33.663  15.588   0.125
   21    H    SER   5           H        SER   5 -32.021  16.181   1.377
   22    HA   SER   5           HA       SER   5 -29.913  18.055   0.449
   23    HB2  SER   5           1HB      SER   5 -30.364  16.771   3.166
   24    HB3  SER   5           2HB      SER   5 -29.209  18.060   2.785
   25    HG   SER   5           HG       SER   5 -31.163  18.879   3.706
   26    H    SER   6           H        SER   6 -30.256  14.954  -0.260
   27    HA   SER   6           HA       SER   6 -27.981  13.617   0.842
   28    HB2  SER   6           1HB      SER   6 -30.004  12.541  -0.160
   29    HB3  SER   6           2HB      SER   6 -29.412  13.010  -1.765
   30    HG   SER   6           HG       SER   6 -28.787  10.851  -1.144
   31    H    GLY   7           H        GLY   7 -25.922  13.300   0.178
   32    HA2  GLY   7           1HA      GLY   7 -24.703  13.735  -2.297
   33    HA3  GLY   7           2HA      GLY   7 -24.604  15.272  -1.463
   34    H    PHE   8           H        PHE   8 -22.284  14.118  -2.117
   35    HA   PHE   8           HA       PHE   8 -21.191  12.730   0.272
   36    HB2  PHE   8           1HB      PHE   8 -19.559  11.827  -1.251
   37    HB3  PHE   8           2HB      PHE   8 -21.174  11.479  -1.822
   38    HD1  PHE   8           1HD      PHE   8 -18.075  13.408  -2.457
   39    HD2  PHE   8           2HD      PHE   8 -22.015  12.441  -3.921
   40    HE1  PHE   8           1HE      PHE   8 -17.488  14.363  -4.671
   41    HE2  PHE   8           2HE      PHE   8 -21.424  13.398  -6.136
   42    HZ   PHE   8           HZ       PHE   8 -19.162  14.363  -6.513
   43    H    LEU   9           H        LEU   9 -18.924  13.132   0.753
   44    HA   LEU   9           HA       LEU   9 -17.673  15.662   0.029
   45    HB2  LEU   9           1HB      LEU   9 -19.437  15.544   2.262
   46    HB3  LEU   9           2HB      LEU   9 -17.836  15.481   2.964
   47    HG   LEU   9           HG       LEU   9 -18.755  17.593   0.967
   48   HD11  LEU   9          1HD1      LEU   9 -20.050  17.714   3.075
   49   HD12  LEU   9          2HD1      LEU   9 -18.538  17.762   4.008
   50   HD13  LEU   9          3HD1      LEU   9 -18.962  19.101   2.917
   51   HD21  LEU   9          3HD2      LEU   9 -16.806  18.905   1.832
   52   HD22  LEU   9          1HD2      LEU   9 -16.264  17.461   2.712
   53   HD23  LEU   9          2HD2      LEU   9 -16.344  17.468   0.928
   54    H    ASP  10           H        ASP  10 -15.577  15.901   1.220
   55    HA   ASP  10           HA       ASP  10 -14.211  13.330   1.843
   56    HB2  ASP  10           1HB      ASP  10 -13.540  15.202  -0.453
   57    HB3  ASP  10           2HB      ASP  10 -12.434  13.983   0.169
   58    H    LYS  11           H        LYS  11 -12.456  13.486   3.092
   59    HA   LYS  11           HA       LYS  11 -11.792  15.997   4.453
   60    HB2  LYS  11           1HB      LYS  11 -11.120  13.048   4.727
   61    HB3  LYS  11           2HB      LYS  11 -10.079  14.210   5.502
   62    HG2  LYS  11           1HG      LYS  11 -12.703  15.081   6.180
   63    HG3  LYS  11           2HG      LYS  11 -12.764  13.316   6.267
   64    HD2  LYS  11           1HD      LYS  11 -10.750  13.377   7.784
   65    HD3  LYS  11           2HD      LYS  11 -10.741  15.142   7.638
   66    HE2  LYS  11           1HE      LYS  11 -11.779  14.624   9.726
   67    HE3  LYS  11           2HE      LYS  11 -13.030  15.230   8.639
   68    HZ1  LYS  11           3HZ      LYS  11 -13.754  13.258   9.862
   69    HZ2  LYS  11           1HZ      LYS  11 -13.722  12.921   8.267
   70    HZ3  LYS  11           2HZ      LYS  11 -12.537  12.361   9.249
   71    HA   PRO  12           HA       PRO  12  -8.206  17.177   2.207
   72    HB2  PRO  12           1HB      PRO  12  -6.430  18.061   4.096
   73    HB3  PRO  12           2HB      PRO  12  -7.944  18.905   3.685
   74    HG2  PRO  12           1HG      PRO  12  -7.413  16.973   5.958
   75    HG3  PRO  12           2HG      PRO  12  -8.228  18.569   6.047
   76    HD2  PRO  12           1HD      PRO  12  -9.599  16.217   5.915
   77    HD3  PRO  12           2HD      PRO  12 -10.233  17.680   5.151
   78    H    THR  13           H        THR  13  -5.736  16.935   2.159
   79    HA   THR  13           HA       THR  13  -4.598  14.373   2.881
   80    HB   THR  13           HB       THR  13  -6.392  13.733   1.190
   81    HG1  THR  13           1HG      THR  13  -4.862  12.273   1.228
   82   HG21  THR  13          3HG2      THR  13  -6.199  14.326  -1.079
   83   HG22  THR  13          1HG2      THR  13  -6.062  15.850  -0.214
   84   HG23  THR  13          2HG2      THR  13  -4.600  15.073  -0.862
   85    H    LEU  14           H        LEU  14  -2.747  13.833   1.481
   86    HA   LEU  14           HA       LEU  14  -1.072  16.253   0.918
   87    HB2  LEU  14           1HB      LEU  14  -0.173  13.638   2.185
   88    HB3  LEU  14           2HB      LEU  14   0.793  15.077   1.923
   89    HG   LEU  14           HG       LEU  14  -1.505  15.916   3.469
   90   HD11  LEU  14          1HD1      LEU  14  -1.828  13.535   4.017
   91   HD12  LEU  14          2HD1      LEU  14  -0.169  13.467   4.662
   92   HD13  LEU  14          3HD1      LEU  14  -1.382  14.509   5.436
   93   HD21  LEU  14          3HD2      LEU  14   0.184  16.470   5.162
   94   HD22  LEU  14          1HD2      LEU  14   1.391  15.479   4.311
   95   HD23  LEU  14          2HD2      LEU  14   0.730  16.939   3.540
   96    H    LEU  15           H        LEU  15  -2.554  13.638  -0.506
   97    HA   LEU  15           HA       LEU  15  -0.430  12.871  -2.383
   98    HB2  LEU  15           1HB      LEU  15  -3.409  12.349  -2.674
   99    HB3  LEU  15           2HB      LEU  15  -2.092  11.531  -3.484
  100    HG   LEU  15           HG       LEU  15  -2.805  11.272  -0.546
  101   HD11  LEU  15          1HD1      LEU  15  -4.240  10.047  -2.161
  102   HD12  LEU  15          2HD1      LEU  15  -2.795   9.276  -2.856
  103   HD13  LEU  15          3HD1      LEU  15  -3.268   8.934  -1.184
  104   HD21  LEU  15          3HD2      LEU  15  -0.982   9.543  -0.481
  105   HD22  LEU  15          1HD2      LEU  15  -0.443  10.095  -2.079
  106   HD23  LEU  15          2HD2      LEU  15  -0.375  11.190  -0.674
  107    H    SER  16           H        SER  16  -1.306  12.802  -4.769
  108    HA   SER  16           HA       SER  16  -1.468  15.556  -5.744
  109    HB2  SER  16           1HB      SER  16  -0.969  12.831  -6.953
  110    HB3  SER  16           2HB      SER  16  -1.147  14.246  -7.924
  111    HG   SER  16           HG       SER  16   1.081  13.818  -7.433
  112    HA   PRO  17           HA       PRO  17  -5.761  15.396  -6.844
  113    HB2  PRO  17           1HB      PRO  17  -5.839  16.719  -9.247
  114    HB3  PRO  17           2HB      PRO  17  -5.538  17.531  -7.681
  115    HG2  PRO  17           1HG      PRO  17  -3.489  16.588  -9.715
  116    HG3  PRO  17           2HG      PRO  17  -3.583  18.182  -8.894
  117    HD2  PRO  17           1HD      PRO  17  -1.941  16.215  -7.988
  118    HD3  PRO  17           2HD      PRO  17  -2.811  17.299  -6.855
  119    H    GLU  18           H        GLU  18  -3.359  14.001  -8.997
  120    HA   GLU  18           HA       GLU  18  -5.281  12.583 -10.680
  121    HB2  GLU  18           1HB      GLU  18  -2.286  12.139 -10.364
  122    HB3  GLU  18           2HB      GLU  18  -3.323  11.554 -11.670
  123    HG2  GLU  18           1HG      GLU  18  -3.821  13.968 -12.259
  124    HG3  GLU  18           2HG      GLU  18  -2.614  14.457 -11.061
  125    H    GLU  19           H        GLU  19  -3.520  11.873  -7.704
  126    HA   GLU  19           HA       GLU  19  -3.699   8.977  -7.759
  127    HB2  GLU  19           1HB      GLU  19  -3.171  11.104  -5.659
  128    HB3  GLU  19           2HB      GLU  19  -3.353   9.431  -5.195
  129    HG2  GLU  19           1HG      GLU  19  -1.323  10.435  -7.243
  130    HG3  GLU  19           2HG      GLU  19  -1.001  10.261  -5.518
  131    H    LEU  20           H        LEU  20  -5.454  11.524  -6.076
  132    HA   LEU  20           HA       LEU  20  -7.404   9.928  -4.732
  133    HB2  LEU  20           1HB      LEU  20  -7.562  12.826  -5.648
  134    HB3  LEU  20           2HB      LEU  20  -8.490  12.127  -4.335
  135    HG   LEU  20           HG       LEU  20  -5.448  12.058  -4.162
  136   HD11  LEU  20          1HD1      LEU  20  -6.122  14.302  -4.925
  137   HD12  LEU  20          2HD1      LEU  20  -7.108  14.484  -3.458
  138   HD13  LEU  20          3HD1      LEU  20  -5.329  14.274  -3.340
  139   HD21  LEU  20          3HD2      LEU  20  -5.852  12.140  -1.789
  140   HD22  LEU  20          1HD2      LEU  20  -7.594  12.398  -2.040
  141   HD23  LEU  20          2HD2      LEU  20  -6.840  10.852  -2.490
  142    H    LYS  21           H        LYS  21  -7.634  11.875  -7.726
  143    HA   LYS  21           HA       LYS  21 -10.238  10.945  -8.524
  144    HB2  LYS  21           1HB      LYS  21  -7.904  12.185  -9.964
  145    HB3  LYS  21           2HB      LYS  21  -9.153  11.420 -10.919
  146    HG2  LYS  21           1HG      LYS  21  -9.496  13.855 -10.619
  147    HG3  LYS  21           2HG      LYS  21 -10.866  12.848 -10.157
  148    HD2  LYS  21           1HD      LYS  21 -10.413  13.181  -7.785
  149    HD3  LYS  21           2HD      LYS  21  -8.912  14.046  -8.155
  150    HE2  LYS  21           1HE      LYS  21 -10.214  15.784  -9.365
  151    HE3  LYS  21           2HE      LYS  21 -11.711  14.920  -8.996
  152    HZ1  LYS  21           3HZ      LYS  21 -11.320  16.720  -7.427
  153    HZ2  LYS  21           1HZ      LYS  21 -11.268  15.295  -6.633
  154    HZ3  LYS  21           2HZ      LYS  21  -9.880  16.095  -6.975
  155    H    ALA  22           H        ALA  22  -7.019   9.407  -9.166
  156    HA   ALA  22           HA       ALA  22  -8.132   7.296 -10.767
  157    HB1  ALA  22           1HB      ALA  22  -5.750   7.856 -10.795
  158    HB2  ALA  22           2HB      ALA  22  -5.582   7.363  -9.095
  159    HB3  ALA  22           3HB      ALA  22  -5.979   6.160 -10.338
  160    H    ALA  23           H        ALA  23  -7.586   7.487  -7.218
  161    HA   ALA  23           HA       ALA  23  -8.581   4.884  -6.585
  162    HB1  ALA  23           1HB      ALA  23  -7.302   6.332  -5.023
  163    HB2  ALA  23           2HB      ALA  23  -8.662   7.475  -4.958
  164    HB3  ALA  23           3HB      ALA  23  -8.852   5.836  -4.315
  165    H    SER  24           H        SER  24 -10.295   8.017  -6.748
  166    HA   SER  24           HA       SER  24 -12.888   7.050  -6.086
  167    HB2  SER  24           1HB      SER  24 -12.074   9.410  -6.058
  168    HB3  SER  24           2HB      SER  24 -12.164   9.430  -7.830
  169    HG   SER  24           HG       SER  24 -14.076  10.279  -6.796
  170    H    ARG  25           H        ARG  25 -11.338   7.350  -9.314
  171    HA   ARG  25           HA       ARG  25 -13.586   6.441 -10.835
  172    HB2  ARG  25           1HB      ARG  25 -10.600   6.707 -11.307
  173    HB3  ARG  25           2HB      ARG  25 -11.656   6.036 -12.521
  174    HG2  ARG  25           1HG      ARG  25 -12.077   8.801 -11.316
  175    HG3  ARG  25           2HG      ARG  25 -11.164   8.477 -12.793
  176    HD2  ARG  25           1HD      ARG  25 -13.191   7.469 -13.820
  177    HD3  ARG  25           2HD      ARG  25 -14.117   7.871 -12.357
  178    HE   ARG  25           HE       ARG  25 -12.847  10.231 -13.272
  179   HH11  ARG  25          1HH1      ARG  25 -15.452   8.091 -14.349
  180   HH12  ARG  25          2HH1      ARG  25 -16.263   9.363 -15.213
  181   HH21  ARG  25          1HH2      ARG  25 -13.942  11.824 -14.408
  182   HH22  ARG  25          2HH2      ARG  25 -15.418  11.446 -15.243
  183    H    GLY  26           H        GLY  26 -11.357   4.689  -8.836
  184    HA2  GLY  26           1HA      GLY  26 -11.907   2.042 -10.057
  185    HA3  GLY  26           2HA      GLY  26 -11.034   2.380  -8.539
  186    H    ASN  27           H        ASN  27 -12.433   3.420  -6.822
  187    HA   ASN  27           HA       ASN  27 -15.273   3.195  -6.897
  188    HB2  ASN  27           1HB      ASN  27 -14.474   0.706  -6.548
  189    HB3  ASN  27           2HB      ASN  27 -14.107   1.210  -4.913
  190   HD21  ASN  27          2HD2      ASN  27 -15.808   0.811  -3.475
  191   HD22  ASN  27          1HD2      ASN  27 -17.499   0.782  -3.959
  192    H    GLY  28           H        GLY  28 -12.455   4.301  -5.426
  193    HA2  GLY  28           1HA      GLY  28 -12.195   5.937  -3.746
  194    HA3  GLY  28           2HA      GLY  28 -13.829   5.593  -3.118
  195    H    GLU  29           H        GLU  29 -12.231   2.717  -3.699
  196    HA   GLU  29           HA       GLU  29 -11.637   2.137  -0.881
  197    HB2  GLU  29           1HB      GLU  29 -12.299   0.649  -3.317
  198    HB3  GLU  29           2HB      GLU  29 -10.841   0.032  -2.599
  199    HG2  GLU  29           1HG      GLU  29 -12.790  -1.146  -1.688
  200    HG3  GLU  29           2HG      GLU  29 -12.011  -0.217  -0.412
  201    H    TYR  30           H        TYR  30  -9.591   0.553  -0.745
  202    HA   TYR  30           HA       TYR  30  -7.210   1.252  -2.181
  203    HB2  TYR  30           1HB      TYR  30  -6.029   2.419  -0.396
  204    HB3  TYR  30           2HB      TYR  30  -7.426   3.328  -0.936
  205    HD1  TYR  30           2HD      TYR  30  -9.534   3.320   0.476
  206    HD2  TYR  30           1HD      TYR  30  -5.882   1.498   1.849
  207    HE1  TYR  30           2HE      TYR  30 -10.417   3.324   2.815
  208    HE2  TYR  30           1HE      TYR  30  -6.763   1.462   4.177
  209    HH   TYR  30           HH       TYR  30  -8.516   2.017   5.566
  210    H    ALA  31           H        ALA  31  -5.447   0.036  -1.660
  211    HA   ALA  31           HA       ALA  31  -5.328  -1.679   0.721
  212    HB1  ALA  31           1HB      ALA  31  -6.608  -3.156  -0.628
  213    HB2  ALA  31           2HB      ALA  31  -5.733  -2.732  -2.110
  214    HB3  ALA  31           3HB      ALA  31  -4.948  -3.706  -0.839
  215    H    TRP  32           H        TRP  32  -3.298  -2.709   0.971
  216    HA   TRP  32           HA       TRP  32  -1.016  -1.542  -0.585
  217    HB2  TRP  32           1HB      TRP  32  -1.285  -2.329   2.331
  218    HB3  TRP  32           2HB      TRP  32   0.270  -2.241   1.534
  219    HD1  TRP  32           HD       TRP  32  -2.580   0.102   2.590
  220    HE1  TRP  32           1HE      TRP  32  -1.629   2.472   2.803
  221    HE3  TRP  32           3HE      TRP  32   2.095  -0.732   0.669
  222    HZ2  TRP  32           2HZ      TRP  32   0.936   3.811   2.334
  223    HZ3  TRP  32           3HZ      TRP  32   3.702   1.137   0.437
  224    HH2  TRP  32           HH       TRP  32   3.121   3.394   1.271
  225    H    TYR  33           H        TYR  33   0.595  -2.868  -1.276
  226    HA   TYR  33           HA       TYR  33   0.310  -5.823  -0.991
  227    HB2  TYR  33           1HB      TYR  33   0.502  -4.192  -3.544
  228    HB3  TYR  33           2HB      TYR  33   0.921  -5.889  -3.486
  229    HD1  TYR  33           2HD      TYR  33  -1.938  -3.519  -2.923
  230    HD2  TYR  33           1HD      TYR  33  -0.690  -7.546  -3.821
  231    HE1  TYR  33           2HE      TYR  33  -4.295  -4.147  -3.400
  232    HE2  TYR  33           1HE      TYR  33  -3.039  -8.174  -4.311
  233    HH   TYR  33           HH       TYR  33  -5.222  -7.451  -4.443
  234    H    TYR  34           H        TYR  34   2.190  -7.027  -1.405
  235    HA   TYR  34           HA       TYR  34   4.786  -5.565  -1.656
  236    HB2  TYR  34           1HB      TYR  34   5.796  -7.014  -0.038
  237    HB3  TYR  34           2HB      TYR  34   4.417  -6.227   0.701
  238    HD1  TYR  34           1HD      TYR  34   2.334  -7.492   1.224
  239    HD2  TYR  34           2HD      TYR  34   5.881  -9.432  -0.278
  240    HE1  TYR  34           1HE      TYR  34   1.444  -9.690   1.970
  241    HE2  TYR  34           2HE      TYR  34   5.003 -11.630   0.473
  242    HH   TYR  34           HH       TYR  34   3.271 -12.749   1.501
  243    H    GLU  35           H        GLU  35   6.491  -6.743  -2.714
  244    HA   GLU  35           HA       GLU  35   5.580  -8.740  -4.666
  245    HB2  GLU  35           1HB      GLU  35   8.357  -7.665  -4.016
  246    HB3  GLU  35           2HB      GLU  35   8.016  -8.924  -5.213
  247    HG2  GLU  35           1HG      GLU  35   6.325  -7.215  -6.222
  248    HG3  GLU  35           2HG      GLU  35   7.232  -6.013  -5.292
  249    H    GLY  36           H        GLY  36   4.939 -10.632  -3.815
  250    HA2  GLY  36           1HA      GLY  36   6.607 -12.135  -1.865
  251    HA3  GLY  36           2HA      GLY  36   5.022 -12.591  -2.514
  252    H    ARG  37           H        ARG  37   6.648 -14.578  -2.482
  253    HA   ARG  37           HA       ARG  37   8.601 -14.762  -4.526
  254    HB2  ARG  37           1HB      ARG  37   8.256 -16.100  -2.347
  255    HB3  ARG  37           2HB      ARG  37   7.196 -17.156  -3.289
  256    HG2  ARG  37           1HG      ARG  37   9.068 -17.613  -4.862
  257    HG3  ARG  37           2HG      ARG  37  10.097 -16.486  -3.988
  258    HD2  ARG  37           1HD      ARG  37   9.049 -19.179  -3.074
  259    HD3  ARG  37           2HD      ARG  37  10.726 -18.716  -3.334
  260    HE   ARG  37           HE       ARG  37   9.275 -18.539  -0.918
  261   HH11  ARG  37          1HH1      ARG  37  11.577 -16.452  -2.646
  262   HH12  ARG  37          2HH1      ARG  37  11.965 -15.567  -1.179
  263   HH21  ARG  37          1HH2      ARG  37   9.951 -17.433   0.902
  264   HH22  ARG  37          2HH2      ARG  37  11.186 -16.198   0.767
  265    H    ASN  38           H        ASN  38   5.180 -15.487  -4.633
  266    HA   ASN  38           HA       ASN  38   5.368 -16.558  -7.411
  267    HB2  ASN  38           1HB      ASN  38   3.161 -16.702  -5.335
  268    HB3  ASN  38           2HB      ASN  38   3.045 -17.366  -6.962
  269   HD21  ASN  38          2HD2      ASN  38   3.008 -18.703  -4.225
  270   HD22  ASN  38          1HD2      ASN  38   4.250 -19.934  -4.356
  271    H    GLY  39           H        GLY  39   4.687 -13.598  -5.951
  272    HA2  GLY  39           1HA      GLY  39   4.317 -11.960  -8.024
  273    HA3  GLY  39           2HA      GLY  39   2.694 -12.634  -7.912
  274    H    TRP  40           H        TRP  40   2.454 -10.133  -7.586
  275    HA   TRP  40           HA       TRP  40   2.921  -8.985  -5.012
  276    HB2  TRP  40           1HB      TRP  40   0.743  -8.457  -7.067
  277    HB3  TRP  40           2HB      TRP  40   1.058  -7.458  -5.656
  278    HD1  TRP  40           HD       TRP  40   2.253  -8.091  -9.153
  279    HE1  TRP  40           1HE      TRP  40   4.091  -6.437  -9.786
  280    HE3  TRP  40           3HE      TRP  40   3.139  -6.073  -4.534
  281    HZ2  TRP  40           2HZ      TRP  40   5.628  -4.340  -8.486
  282    HZ3  TRP  40           3HZ      TRP  40   4.801  -4.253  -4.262
  283    HH2  TRP  40           HH       TRP  40   6.017  -3.352  -6.222
  284    H    TRP  41           H        TRP  41   1.980  -9.315  -3.077
  285    HA   TRP  41           HA       TRP  41  -0.742 -10.540  -2.945
  286    HB2  TRP  41           1HB      TRP  41   1.588 -11.172  -1.108
  287    HB3  TRP  41           2HB      TRP  41  -0.061 -11.791  -0.960
  288    HD1  TRP  41           HD       TRP  41   3.060 -13.064  -1.948
  289    HE1  TRP  41           1HE      TRP  41   2.966 -14.846  -3.799
  290    HE3  TRP  41           3HE      TRP  41  -1.795 -12.436  -3.418
  291    HZ2  TRP  41           2HZ      TRP  41   1.102 -15.674  -5.853
  292    HZ3  TRP  41           3HZ      TRP  41  -2.714 -13.722  -5.286
  293    HH2  TRP  41           HH       TRP  41  -1.280 -15.343  -6.549
  294    H    GLN  42           H        GLN  42  -2.108  -9.873  -1.352
  295    HA   GLN  42           HA       GLN  42  -1.728  -7.077  -0.622
  296    HB2  GLN  42           1HB      GLN  42  -3.856  -8.202  -1.539
  297    HB3  GLN  42           2HB      GLN  42  -4.081  -8.869   0.082
  298    HG2  GLN  42           1HG      GLN  42  -4.065  -6.504   0.981
  299    HG3  GLN  42           2HG      GLN  42  -3.922  -5.915  -0.676
  300   HE21  GLN  42          2HE2      GLN  42  -5.811  -6.340  -2.180
  301   HE22  GLN  42          1HE2      GLN  42  -7.386  -6.583  -1.441
  302    H    TYR  43           H        TYR  43  -1.550  -6.174   1.406
  303    HA   TYR  43           HA       TYR  43  -0.563  -7.756   3.629
  304    HB2  TYR  43           1HB      TYR  43  -1.230  -4.857   3.133
  305    HB3  TYR  43           2HB      TYR  43  -0.984  -5.410   4.779
  306    HD1  TYR  43           1HD      TYR  43   1.170  -6.504   5.463
  307    HD2  TYR  43           2HD      TYR  43   0.671  -4.502   1.686
  308    HE1  TYR  43           1HE      TYR  43   3.637  -6.295   5.250
  309    HE2  TYR  43           2HE      TYR  43   3.135  -4.244   1.483
  310    HH   TYR  43           HH       TYR  43   5.346  -5.570   3.977
  311    H    ASP  44           H        ASP  44  -1.423  -7.790   5.759
  312    HA   ASP  44           HA       ASP  44  -4.205  -8.519   6.049
  313    HB2  ASP  44           1HB      ASP  44  -2.465  -9.489   7.439
  314    HB3  ASP  44           2HB      ASP  44  -1.983  -7.897   8.032
  315    H    GLU  45           H        GLU  45  -5.821  -7.413   7.320
  316    HA   GLU  45           HA       GLU  45  -6.073  -4.650   6.506
  317    HB2  GLU  45           1HB      GLU  45  -8.291  -4.841   7.679
  318    HB3  GLU  45           2HB      GLU  45  -8.013  -6.008   6.388
  319    HG2  GLU  45           1HG      GLU  45  -7.618  -7.804   7.954
  320    HG3  GLU  45           2HG      GLU  45  -7.537  -6.685   9.311
  321    H    ARG  46           H        ARG  46  -4.838  -6.119   9.401
  322    HA   ARG  46           HA       ARG  46  -5.143  -3.605  10.955
  323    HB2  ARG  46           1HB      ARG  46  -3.757  -6.107  11.894
  324    HB3  ARG  46           2HB      ARG  46  -4.477  -4.820  12.849
  325    HG2  ARG  46           1HG      ARG  46  -5.911  -7.032  11.338
  326    HG3  ARG  46           2HG      ARG  46  -5.912  -6.715  13.069
  327    HD2  ARG  46           1HD      ARG  46  -7.225  -4.623  12.680
  328    HD3  ARG  46           2HD      ARG  46  -7.163  -4.936  10.935
  329    HE   ARG  46           HE       ARG  46  -8.838  -6.425  11.057
  330   HH11  ARG  46          1HH1      ARG  46  -7.803  -6.036  14.431
  331   HH12  ARG  46          2HH1      ARG  46  -9.170  -6.945  15.007
  332   HH21  ARG  46          1HH2      ARG  46 -10.446  -7.503  11.793
  333   HH22  ARG  46          2HH2      ARG  46 -10.691  -7.800  13.506
  334    H    THR  47           H        THR  47  -2.928  -5.072   8.816
  335    HA   THR  47           HA       THR  47  -0.605  -3.536   9.859
  336    HB   THR  47           HB       THR  47  -0.762  -5.617   7.637
  337    HG1  THR  47           1HG      THR  47  -0.862  -6.413   9.764
  338   HG21  THR  47          3HG2      THR  47   1.758  -5.433   7.768
  339   HG22  THR  47          1HG2      THR  47   0.957  -4.046   7.014
  340   HG23  THR  47          2HG2      THR  47   1.533  -3.920   8.685
  341    H    SER  48           H        SER  48  -2.471  -3.910   6.769
  342    HA   SER  48           HA       SER  48  -1.156  -1.821   5.381
  343    HB2  SER  48           1HB      SER  48  -3.053  -1.889   3.859
  344    HB3  SER  48           2HB      SER  48  -2.542  -3.524   4.303
  345    HG   SER  48           HG       SER  48  -4.833  -3.299   4.389
  346    H    ARG  49           H        ARG  49  -3.844  -1.633   7.678
  347    HA   ARG  49           HA       ARG  49  -4.584   1.046   7.114
  348    HB2  ARG  49           1HB      ARG  49  -5.865   1.014   9.056
  349    HB3  ARG  49           2HB      ARG  49  -5.887  -0.617   8.418
  350    HG2  ARG  49           1HG      ARG  49  -5.636  -0.991  10.682
  351    HG3  ARG  49           2HG      ARG  49  -4.002  -1.156  10.077
  352    HD2  ARG  49           1HD      ARG  49  -4.226   0.052  12.284
  353    HD3  ARG  49           2HD      ARG  49  -3.336   0.917  11.060
  354    HE   ARG  49           HE       ARG  49  -6.205   1.564  11.320
  355   HH11  ARG  49          1HH1      ARG  49  -2.913   2.579  12.243
  356   HH12  ARG  49          2HH1      ARG  49  -3.365   4.278  12.195
  357   HH21  ARG  49          1HH2      ARG  49  -6.691   3.772  11.462
  358   HH22  ARG  49          2HH2      ARG  49  -5.439   4.895  11.921
  359    H    GLU  50           H        GLU  50  -1.801  -0.209   8.906
  360    HA   GLU  50           HA       GLU  50  -1.238   2.291  10.310
  361    HB2  GLU  50           1HB      GLU  50   0.633  -0.004   9.586
  362    HB3  GLU  50           2HB      GLU  50   0.991   1.286  10.720
  363    HG2  GLU  50           1HG      GLU  50  -1.331  -0.649  11.131
  364    HG3  GLU  50           2HG      GLU  50   0.304  -0.969  11.687
  365    H    LEU  51           H        LEU  51  -0.359   0.831   7.243
  366    HA   LEU  51           HA       LEU  51   1.650   2.747   6.435
  367    HB2  LEU  51           1HB      LEU  51   0.055   0.844   4.688
  368    HB3  LEU  51           2HB      LEU  51   1.687   1.454   4.418
  369    HG   LEU  51           HG       LEU  51   0.806  -0.575   6.523
  370   HD11  LEU  51          1HD1      LEU  51   0.779  -1.395   4.226
  371   HD12  LEU  51          2HD1      LEU  51   2.477  -0.906   4.015
  372   HD13  LEU  51          3HD1      LEU  51   2.044  -2.175   5.191
  373   HD21  LEU  51          3HD2      LEU  51   3.280  -0.858   6.902
  374   HD22  LEU  51          1HD2      LEU  51   3.519   0.624   5.943
  375   HD23  LEU  51          2HD2      LEU  51   2.635   0.684   7.477
  376    H    GLU  52           H        GLU  52  -1.784   2.218   5.652
  377    HA   GLU  52           HA       GLU  52  -2.123   4.484   3.947
  378    HB2  GLU  52           1HB      GLU  52  -3.709   2.694   3.989
  379    HB3  GLU  52           2HB      GLU  52  -4.086   2.958   5.685
  380    HG2  GLU  52           1HG      GLU  52  -4.495   5.232   3.722
  381    HG3  GLU  52           2HG      GLU  52  -5.605   3.889   3.667
  382    H    ASP  53           H        ASP  53  -2.413   4.197   7.523
  383    HA   ASP  53           HA       ASP  53  -3.587   6.792   7.898
  384    HB2  ASP  53           1HB      ASP  53  -3.643   4.807   9.444
  385    HB3  ASP  53           2HB      ASP  53  -1.958   5.093   9.843
  386    H    ALA  54           H        ALA  54  -0.335   5.527   7.910
  387    HA   ALA  54           HA       ALA  54   1.129   7.824   8.720
  388    HB1  ALA  54           1HB      ALA  54   2.051   5.634   8.758
  389    HB2  ALA  54           2HB      ALA  54   1.784   5.403   7.021
  390    HB3  ALA  54           3HB      ALA  54   3.016   6.573   7.589
  391    H    PHE  55           H        PHE  55   0.357   6.832   5.272
  392    HA   PHE  55           HA       PHE  55   1.539   9.275   4.266
  393    HB2  PHE  55           1HB      PHE  55   0.865   8.718   2.160
  394    HB3  PHE  55           2HB      PHE  55   1.135   7.165   2.905
  395    HD1  PHE  55           2HD      PHE  55  -1.656   9.591   2.085
  396    HD2  PHE  55           1HD      PHE  55  -0.438   5.487   2.537
  397    HE1  PHE  55           2HE      PHE  55  -3.841   8.848   1.205
  398    HE2  PHE  55           1HE      PHE  55  -2.600   4.743   1.562
  399    HZ   PHE  55           HZ       PHE  55  -4.316   6.422   0.919
  400    H    SER  56           H        SER  56  -1.489   8.526   5.651
  401    HA   SER  56           HA       SER  56  -2.889  10.959   4.782
  402    HB2  SER  56           1HB      SER  56  -3.887   8.658   5.399
  403    HB3  SER  56           2HB      SER  56  -3.719   9.177   7.081
  404    HG   SER  56           HG       SER  56  -5.793   9.675   6.135
  405    H    LYS  57           H        LYS  57  -0.863  10.138   7.544
  406    HA   LYS  57           HA       LYS  57  -1.614  12.447   9.184
  407    HB2  LYS  57           1HB      LYS  57   0.526  10.298   9.258
  408    HB3  LYS  57           2HB      LYS  57   0.569  11.659  10.381
  409    HG2  LYS  57           1HG      LYS  57  -1.350  11.009  11.528
  410    HG3  LYS  57           2HG      LYS  57  -1.979  10.055  10.187
  411    HD2  LYS  57           1HD      LYS  57  -1.166   8.583  12.002
  412    HD3  LYS  57           2HD      LYS  57  -0.296   8.343  10.502
  413    HE2  LYS  57           1HE      LYS  57   1.471   8.339  11.941
  414    HE3  LYS  57           2HE      LYS  57   1.466  10.029  11.471
  415    HZ1  LYS  57           3HZ      LYS  57   1.624   9.830  13.882
  416    HZ2  LYS  57           1HZ      LYS  57   0.205  10.542  13.505
  417    HZ3  LYS  57           2HZ      LYS  57   0.236   8.972  13.962
  418    H    GLY  58           H        GLY  58   1.130  11.614   7.054
  419    HA2  GLY  58           1HA      GLY  58   2.051  13.531   5.718
  420    HA3  GLY  58           2HA      GLY  58   2.163  14.434   7.248
  421    H    LYS  59           H        LYS  59   2.970  11.355   8.194
  422    HA   LYS  59           HA       LYS  59   5.820  11.844   8.034
  423    HB2  LYS  59           1HB      LYS  59   5.987   9.475   8.903
  424    HB3  LYS  59           2HB      LYS  59   5.153  10.631   9.927
  425    HG2  LYS  59           1HG      LYS  59   3.012   9.732   9.463
  426    HG3  LYS  59           2HG      LYS  59   3.615   8.818   8.073
  427    HD2  LYS  59           1HD      LYS  59   3.148   7.413  10.078
  428    HD3  LYS  59           2HD      LYS  59   4.776   7.277   9.446
  429    HE2  LYS  59           1HE      LYS  59   5.609   8.789  11.242
  430    HE3  LYS  59           2HE      LYS  59   3.972   8.901  11.897
  431    HZ1  LYS  59           3HZ      LYS  59   5.264   7.216  13.060
  432    HZ2  LYS  59           1HZ      LYS  59   4.059   6.462  12.250
  433    HZ3  LYS  59           2HZ      LYS  59   5.585   6.414  11.674
  434    H    LYS  60           H        LYS  60   7.362  10.530   7.002
  435    HA   LYS  60           HA       LYS  60   6.529   9.694   4.259
  436    HB2  LYS  60           1HB      LYS  60   8.572  10.476   3.479
  437    HB3  LYS  60           2HB      LYS  60   8.028  11.671   4.644
  438    HG2  LYS  60           1HG      LYS  60   9.586  10.441   6.323
  439    HG3  LYS  60           2HG      LYS  60  10.292   9.689   4.883
  440    HD2  LYS  60           1HD      LYS  60  10.611  12.087   3.970
  441    HD3  LYS  60           2HD      LYS  60  10.090  12.655   5.556
  442    HE2  LYS  60           1HE      LYS  60  12.353  12.688   5.911
  443    HE3  LYS  60           2HE      LYS  60  11.999  11.046   6.457
  444    HZ1  LYS  60           3HZ      LYS  60  13.860  10.975   4.961
  445    HZ2  LYS  60           1HZ      LYS  60  12.601  10.343   4.107
  446    HZ3  LYS  60           2HZ      LYS  60  13.091  11.860   3.820
  447    H    ASN  61           H        ASN  61   7.092   8.184   7.078
  448    HA   ASN  61           HA       ASN  61   7.333   5.629   5.934
  449    HB2  ASN  61           1HB      ASN  61   9.482   4.856   6.802
  450    HB3  ASN  61           2HB      ASN  61   9.740   6.147   5.643
  451   HD21  ASN  61          2HD2      ASN  61  10.135   8.319   6.508
  452   HD22  ASN  61          1HD2      ASN  61  10.979   8.486   8.042
  453    H    THR  62           H        THR  62   7.171   3.956   7.490
  454    HA   THR  62           HA       THR  62   6.578   4.628  10.303
  455    HB   THR  62           HB       THR  62   4.536   5.196   8.924
  456    HG1  THR  62           1HG      THR  62   3.246   4.118  10.560
  457   HG21  THR  62          3HG2      THR  62   3.018   3.346   8.365
  458   HG22  THR  62          1HG2      THR  62   4.504   3.224   7.413
  459   HG23  THR  62          2HG2      THR  62   4.247   2.149   8.807
  460    H    GLU  63           H        GLU  63   5.570   2.512  11.359
  461    HA   GLU  63           HA       GLU  63   7.459   0.291  10.658
  462    HB2  GLU  63           1HB      GLU  63   6.722   1.540  13.325
  463    HB3  GLU  63           2HB      GLU  63   7.476  -0.057  13.183
  464    HG2  GLU  63           1HG      GLU  63   9.377   0.882  12.000
  465    HG3  GLU  63           2HG      GLU  63   8.660   2.495  12.015
  466    H    MET  64           H        MET  64   6.812  -1.776  10.897
  467    HA   MET  64           HA       MET  64   4.148  -2.493  11.938
  468    HB2  MET  64           1HB      MET  64   3.551  -3.633   9.803
  469    HB3  MET  64           2HB      MET  64   3.564  -1.872   9.671
  470    HG2  MET  64           1HG      MET  64   5.615  -1.862   8.470
  471    HG3  MET  64           2HG      MET  64   6.021  -3.488   8.979
  472    HE1  MET  64           3HE      MET  64   6.079  -4.607   5.574
  473    HE2  MET  64           1HE      MET  64   6.920  -3.563   6.737
  474    HE3  MET  64           2HE      MET  64   6.322  -5.157   7.245
  475    H    LEU  65           H        LEU  65   3.799  -4.751  12.122
  476    HA   LEU  65           HA       LEU  65   6.265  -6.377  12.385
  477    HB2  LEU  65           1HB      LEU  65   4.300  -5.713  14.269
  478    HB3  LEU  65           2HB      LEU  65   3.735  -7.260  13.699
  479    HG   LEU  65           HG       LEU  65   5.042  -7.487  15.689
  480   HD11  LEU  65          1HD1      LEU  65   5.222  -9.340  14.097
  481   HD12  LEU  65          2HD1      LEU  65   6.706  -8.618  13.432
  482   HD13  LEU  65          3HD1      LEU  65   6.666  -9.169  15.110
  483   HD21  LEU  65          3HD2      LEU  65   7.357  -6.822  15.907
  484   HD22  LEU  65          1HD2      LEU  65   7.417  -6.306  14.211
  485   HD23  LEU  65          2HD2      LEU  65   6.392  -5.429  15.365
  486    H    ILE  66           H        ILE  66   6.361  -8.342  11.555
  487    HA   ILE  66           HA       ILE  66   4.159  -9.330   9.734
  488    HB   ILE  66           HB       ILE  66   5.689 -10.050   8.134
  489   HG12  ILE  66          1HG1      ILE  66   8.116  -8.684   8.978
  490   HG13  ILE  66          2HG1      ILE  66   7.671  -9.832  10.212
  491   HG21  ILE  66          1HG2      ILE  66   4.740  -7.755   8.074
  492   HG22  ILE  66          2HG2      ILE  66   6.238  -7.137   8.789
  493   HG23  ILE  66          3HG2      ILE  66   6.263  -7.940   7.196
  494   HD11  ILE  66          3HD1      ILE  66   9.182 -10.699   8.330
  495   HD12  ILE  66          1HD1      ILE  66   7.800 -11.702   8.765
  496   HD13  ILE  66          2HD1      ILE  66   7.734 -10.693   7.312
  497    H    ALA  67           H        ALA  67   5.621 -11.747   9.048
  498    HA   ALA  67           HA       ALA  67   4.611 -13.577  10.900
  499    HB1  ALA  67           1HB      ALA  67   5.221 -13.963   8.486
  500    HB2  ALA  67           2HB      ALA  67   6.943 -13.890   8.945
  501    HB3  ALA  67           3HB      ALA  67   5.914 -15.190   9.570
  502    H    GLY  68           H        GLY  68   7.585 -11.804  11.233
  503    HA2  GLY  68           1HA      GLY  68   8.115 -12.815  13.850
  504    HA3  GLY  68           2HA      GLY  68   9.177 -13.627  12.718
  505    H    PHE  69           H        PHE  69   8.368 -10.274  12.012
  506    HA   PHE  69           HA       PHE  69  10.935  -9.243  13.042
  507    HB2  PHE  69           1HB      PHE  69  10.295  -9.473  10.068
  508    HB3  PHE  69           2HB      PHE  69  11.616  -8.547  10.733
  509    HD1  PHE  69           1HD      PHE  69  13.453  -9.742  12.050
  510    HD2  PHE  69           2HD      PHE  69  10.576 -11.845   9.609
  511    HE1  PHE  69           1HE      PHE  69  15.015 -11.664  11.849
  512    HE2  PHE  69           2HE      PHE  69  12.144 -13.747   9.406
  513    HZ   PHE  69           HZ       PHE  69  14.368 -13.662  10.516
  514    H    LEU  70           H        LEU  70  11.146  -7.016  12.968
  515    HA   LEU  70           HA       LEU  70   8.716  -5.389  12.429
  516    HB2  LEU  70           1HB      LEU  70  10.132  -5.237  14.596
  517    HB3  LEU  70           2HB      LEU  70  11.388  -4.540  13.586
  518    HG   LEU  70           HG       LEU  70  10.298  -2.816  14.782
  519   HD11  LEU  70          1HD1      LEU  70  10.861  -2.335  12.334
  520   HD12  LEU  70          2HD1      LEU  70   9.108  -2.446  12.030
  521   HD13  LEU  70          3HD1      LEU  70   9.738  -1.235  13.147
  522   HD21  LEU  70          3HD2      LEU  70   7.883  -2.276  14.532
  523   HD22  LEU  70          1HD2      LEU  70   7.656  -3.801  13.650
  524   HD23  LEU  70          2HD2      LEU  70   8.190  -3.824  15.342
  525    H    TYR  71           H        TYR  71   8.559  -4.357  10.586
  526    HA   TYR  71           HA       TYR  71  10.985  -3.706   8.959
  527    HB2  TYR  71           1HB      TYR  71   8.298  -4.602   8.019
  528    HB3  TYR  71           2HB      TYR  71   9.507  -3.887   6.947
  529    HD1  TYR  71           1HD      TYR  71  11.972  -5.422   8.166
  530    HD2  TYR  71           2HD      TYR  71   8.060  -6.663   6.835
  531    HE1  TYR  71           1HE      TYR  71  12.807  -7.719   7.775
  532    HE2  TYR  71           2HE      TYR  71   8.849  -8.935   6.570
  533    HH   TYR  71           HH       TYR  71  10.760 -10.402   6.695
  534    H    VAL  72           H        VAL  72  11.232  -1.751   8.241
  535    HA   VAL  72           HA       VAL  72   9.347   0.386   9.017
  536    HB   VAL  72           HB       VAL  72  12.084   0.604   7.736
  537   HG11  VAL  72          1HG1      VAL  72  10.663   2.606   7.331
  538   HG12  VAL  72          2HG1      VAL  72  10.330   2.719   9.073
  539   HG13  VAL  72          3HG1      VAL  72  11.972   2.978   8.458
  540   HG21  VAL  72          3HG2      VAL  72  12.878   1.308   9.974
  541   HG22  VAL  72          1HG2      VAL  72  11.293   0.893  10.658
  542   HG23  VAL  72          2HG2      VAL  72  12.330  -0.368   9.957
  543    H    ALA  73           H        ALA  73   7.757   0.711   7.610
  544    HA   ALA  73           HA       ALA  73   7.969   0.201   4.723
  545    HB1  ALA  73           1HB      ALA  73   5.914  -0.333   6.023
  546    HB2  ALA  73           2HB      ALA  73   5.718   1.392   6.381
  547    HB3  ALA  73           3HB      ALA  73   5.617   0.816   4.697
  548    H    ASP  74           H        ASP  74   9.234   1.545   3.706
  549    HA   ASP  74           HA       ASP  74   9.377   4.425   4.206
  550    HB2  ASP  74           1HB      ASP  74  11.299   2.914   3.598
  551    HB3  ASP  74           2HB      ASP  74  10.584   2.716   2.001
  552    H    LEU  75           H        LEU  75   7.736   5.691   3.525
  553    HA   LEU  75           HA       LEU  75   5.934   4.856   1.361
  554    HB2  LEU  75           1HB      LEU  75   5.935   7.420   3.001
  555    HB3  LEU  75           2HB      LEU  75   4.656   6.854   1.952
  556    HG   LEU  75           HG       LEU  75   5.481   5.504   4.560
  557   HD11  LEU  75          1HD1      LEU  75   4.363   7.602   5.023
  558   HD12  LEU  75          2HD1      LEU  75   3.148   7.291   3.766
  559   HD13  LEU  75          3HD1      LEU  75   3.153   6.321   5.230
  560   HD21  LEU  75          3HD2      LEU  75   3.479   4.154   4.323
  561   HD22  LEU  75          1HD2      LEU  75   3.116   4.936   2.774
  562   HD23  LEU  75          2HD2      LEU  75   4.556   3.877   2.946
  563    H    GLU  76           H        GLU  76   8.895   6.494   1.392
  564    HA   GLU  76           HA       GLU  76   8.280   8.430  -0.756
  565    HB2  GLU  76           1HB      GLU  76  10.971   7.643   0.424
  566    HB3  GLU  76           2HB      GLU  76  10.610   9.003  -0.604
  567    HG2  GLU  76           1HG      GLU  76   9.206   9.925   1.279
  568    HG3  GLU  76           2HG      GLU  76   9.671   8.538   2.258
  569    H    ASN  77           H        ASN  77  10.353   5.606  -0.235
  570    HA   ASN  77           HA       ASN  77  11.001   5.295  -3.104
  571    HB2  ASN  77           1HB      ASN  77  12.031   3.972  -0.556
  572    HB3  ASN  77           2HB      ASN  77  12.683   3.698  -2.169
  573   HD21  ASN  77          2HD2      ASN  77  12.349   6.121   0.467
  574   HD22  ASN  77          1HD2      ASN  77  13.716   7.075  -0.088
  575    H    MET  78           H        MET  78   8.728   4.140  -0.952
  576    HA   MET  78           HA       MET  78   7.230   2.411  -0.831
  577    HB2  MET  78           1HB      MET  78   7.836   1.994  -3.774
  578    HB3  MET  78           2HB      MET  78   6.435   1.391  -2.888
  579    HG2  MET  78           1HG      MET  78   6.822   4.351  -2.781
  580    HG3  MET  78           2HG      MET  78   6.504   3.676  -4.366
  581    HE1  MET  78           3HE      MET  78   3.594   3.709  -0.822
  582    HE2  MET  78           1HE      MET  78   5.040   2.681  -0.718
  583    HE3  MET  78           2HE      MET  78   5.201   4.452  -0.867
  584    H    VAL  79           H        VAL  79   9.191   1.564   0.485
  585    HA   VAL  79           HA       VAL  79   9.638  -1.260  -0.307
  586    HB   VAL  79           HB       VAL  79  12.068  -1.164   0.228
  587   HG11  VAL  79          1HG1      VAL  79  11.317  -1.272  -2.111
  588   HG12  VAL  79          2HG1      VAL  79  11.348   0.503  -2.196
  589   HG13  VAL  79          3HG1      VAL  79  12.846  -0.402  -1.915
  590   HG21  VAL  79          3HG2      VAL  79  13.267   0.988   0.107
  591   HG22  VAL  79          1HG2      VAL  79  11.729   1.850   0.001
  592   HG23  VAL  79          2HG2      VAL  79  12.150   0.951   1.473
  593    H    GLN  80           H        GLN  80  10.388  -2.669   1.300
  594    HA   GLN  80           HA       GLN  80  10.016  -1.821   4.132
  595    HB2  GLN  80           1HB      GLN  80   9.712  -4.510   2.707
  596    HB3  GLN  80           2HB      GLN  80   9.421  -4.238   4.427
  597    HG2  GLN  80           1HG      GLN  80   7.867  -2.911   2.171
  598    HG3  GLN  80           2HG      GLN  80   7.369  -4.369   3.014
  599   HE21  GLN  80          2HE2      GLN  80   5.395  -2.845   3.377
  600   HE22  GLN  80          1HE2      GLN  80   5.489  -1.907   4.855
  601    H    TYR  81           H        TYR  81  11.652  -2.107   5.530
  602    HA   TYR  81           HA       TYR  81  13.737  -4.134   5.165
  603    HB2  TYR  81           1HB      TYR  81  15.569  -2.416   5.466
  604    HB3  TYR  81           2HB      TYR  81  14.807  -2.475   3.898
  605    HD1  TYR  81           2HD      TYR  81  14.611  -0.547   7.153
  606    HD2  TYR  81           1HD      TYR  81  14.070  -0.498   2.875
  607    HE1  TYR  81           2HE      TYR  81  14.235   1.894   7.234
  608    HE2  TYR  81           1HE      TYR  81  13.712   1.951   2.945
  609    HH   TYR  81           HH       TYR  81  13.512   3.831   4.293
  610    H    ARG  82           H        ARG  82  15.059  -4.460   7.132
  611    HA   ARG  82           HA       ARG  82  13.601  -3.897   9.607
  612    HB2  ARG  82           1HB      ARG  82  16.392  -5.058   9.246
  613    HB3  ARG  82           2HB      ARG  82  15.464  -5.022  10.743
  614    HG2  ARG  82           1HG      ARG  82  13.740  -6.472   9.763
  615    HG3  ARG  82           2HG      ARG  82  14.609  -6.479   8.214
  616    HD2  ARG  82           1HD      ARG  82  16.577  -7.526   9.352
  617    HD3  ARG  82           2HD      ARG  82  15.649  -7.578  10.854
  618    HE   ARG  82           HE       ARG  82  14.433  -9.379  10.053
  619   HH11  ARG  82          1HH1      ARG  82  16.221  -8.042   7.231
  620   HH12  ARG  82          2HH1      ARG  82  15.776  -9.486   6.301
  621   HH21  ARG  82          1HH2      ARG  82  13.897 -11.058   8.613
  622   HH22  ARG  82          2HH2      ARG  82  14.557 -10.980   6.980
  623    H    ARG  83           H        ARG  83  14.388  -2.658  11.388
  624    HA   ARG  83           HA       ARG  83  15.029  -0.031  10.724
  625    HB2  ARG  83           1HB      ARG  83  15.487  -1.306  13.450
  626    HB3  ARG  83           2HB      ARG  83  15.219   0.407  13.100
  627    HG2  ARG  83           1HG      ARG  83  12.933  -0.186  12.212
  628    HG3  ARG  83           2HG      ARG  83  13.219  -1.858  12.718
  629    HD2  ARG  83           1HD      ARG  83  11.975  -1.008  14.454
  630    HD3  ARG  83           2HD      ARG  83  13.614  -0.909  15.091
  631    HE   ARG  83           HE       ARG  83  11.836   1.308  14.154
  632   HH11  ARG  83          1HH1      ARG  83  14.928   0.595  15.764
  633   HH12  ARG  83          2HH1      ARG  83  15.079   2.247  16.284
  634   HH21  ARG  83          1HH2      ARG  83  12.050   3.221  14.819
  635   HH22  ARG  83          2HH2      ARG  83  13.442   3.777  15.747
  636    H    ASN  84           H        ASN  84  17.343  -2.571  11.268
  637    HA   ASN  84           HA       ASN  84  19.609  -0.716  11.651
  638    HB2  ASN  84           1HB      ASN  84  19.147  -2.747  13.093
  639    HB3  ASN  84           2HB      ASN  84  19.579  -3.745  11.704
  640   HD21  ASN  84          2HD2      ASN  84  21.723  -4.382  11.740
  641   HD22  ASN  84          1HD2      ASN  84  23.018  -3.475  12.502
  642    H    GLU  85           H        GLU  85  18.120  -1.902   8.850
  643    HA   GLU  85           HA       GLU  85  20.683  -1.923   7.344
  644    HB2  GLU  85           1HB      GLU  85  20.249  -3.957   6.250
  645    HB3  GLU  85           2HB      GLU  85  20.059  -4.264   7.976
  646    HG2  GLU  85           1HG      GLU  85  17.545  -3.992   7.635
  647    HG3  GLU  85           2HG      GLU  85  17.846  -3.944   5.898
  648    H    HIS  86           H        HIS  86  20.459  -1.763   5.032
  649    HA   HIS  86           HA       HIS  86  17.846  -0.759   4.006
  650    HB2  HIS  86           1HB      HIS  86  18.821   1.156   2.983
  651    HB3  HIS  86           2HB      HIS  86  19.250   1.183   4.693
  652    HD2  HIS  86           2HD      HIS  86  21.857   0.869   5.314
  653    HE1  HIS  86           1HE      HIS  86  23.383   0.916   1.340
  654    HE2  HIS  86           2HE      HIS  86  24.012   0.996   3.807
  655    H    GLY  87           H        GLY  87  20.880  -2.379   3.315
  656    HA2  GLY  87           1HA      GLY  87  20.626  -2.476   0.458
  657    HA3  GLY  87           2HA      GLY  87  21.694  -3.486   1.459
  658    H    ARG  88           H        ARG  88  19.046  -4.376   2.862
  659    HA   ARG  88           HA       ARG  88  18.392  -6.603   1.002
  660    HB2  ARG  88           1HB      ARG  88  17.998  -6.163   3.983
  661    HB3  ARG  88           2HB      ARG  88  17.205  -7.469   3.123
  662    HG2  ARG  88           1HG      ARG  88  19.099  -8.402   4.129
  663    HG3  ARG  88           2HG      ARG  88  19.381  -8.378   2.391
  664    HD2  ARG  88           1HD      ARG  88  20.912  -6.489   2.618
  665    HD3  ARG  88           2HD      ARG  88  20.543  -6.329   4.336
  666    HE   ARG  88           HE       ARG  88  22.272  -8.299   3.020
  667   HH11  ARG  88          1HH1      ARG  88  20.565  -7.593   6.072
  668   HH12  ARG  88          2HH1      ARG  88  21.603  -8.668   6.968
  669   HH21  ARG  88          1HH2      ARG  88  23.543  -9.645   4.259
  670   HH22  ARG  88          2HH2      ARG  88  23.252  -9.806   5.964
  671    H    ARG  89           H        ARG  89  17.217  -3.597   1.188
  672    HA   ARG  89           HA       ARG  89  14.556  -3.757   1.939
  673    HB2  ARG  89           1HB      ARG  89  14.220  -1.642   0.821
  674    HB3  ARG  89           2HB      ARG  89  15.753  -1.678   1.684
  675    HG2  ARG  89           1HG      ARG  89  16.899  -2.157  -0.533
  676    HG3  ARG  89           2HG      ARG  89  15.330  -1.889  -1.323
  677    HD2  ARG  89           1HD      ARG  89  15.247   0.395  -0.494
  678    HD3  ARG  89           2HD      ARG  89  16.713   0.167   0.451
  679    HE   ARG  89           HE       ARG  89  16.469   0.564  -2.458
  680   HH11  ARG  89          1HH2      ARG  89  18.712  -0.395   0.105
  681   HH12  ARG  89          2HH2      ARG  89  20.106   0.134  -0.798
  682   HH21  ARG  89          1HH1      ARG  89  18.308   1.136  -3.599
  683   HH22  ARG  89          2HH1      ARG  89  19.878   0.921  -2.890
  684    H    ARG  90           H        ARG  90  12.622  -4.143   1.047
  685    HA   ARG  90           HA       ARG  90  12.530  -5.532  -1.612
  686    HB2  ARG  90           1HB      ARG  90  12.555  -6.973   0.448
  687    HB3  ARG  90           2HB      ARG  90  11.018  -6.244   0.936
  688    HG2  ARG  90           1HG      ARG  90   9.949  -7.119  -1.131
  689    HG3  ARG  90           2HG      ARG  90  11.516  -7.762  -1.672
  690    HD2  ARG  90           1HD      ARG  90  11.593  -9.177   0.395
  691    HD3  ARG  90           2HD      ARG  90   9.981  -8.593   0.822
  692    HE   ARG  90           HE       ARG  90   9.169  -9.574  -1.345
  693   HH11  ARG  90          1HH1      ARG  90  12.124 -11.032   0.073
  694   HH12  ARG  90          2HH1      ARG  90  11.772 -12.573  -0.632
  695   HH21  ARG  90          1HH2      ARG  90   8.887 -11.460  -2.284
  696   HH22  ARG  90          2HH2      ARG  90   9.989 -12.810  -2.016
  697    H    LYS  91           H        LYS  91  10.817  -5.154  -2.951
  698    HA   LYS  91           HA       LYS  91   9.595  -2.588  -2.682
  699    HB2  LYS  91           1HB      LYS  91   9.819  -4.732  -4.733
  700    HB3  LYS  91           2HB      LYS  91   8.388  -3.748  -4.888
  701    HG2  LYS  91           1HG      LYS  91  11.162  -2.528  -4.640
  702    HG3  LYS  91           2HG      LYS  91  10.467  -2.997  -6.192
  703    HD2  LYS  91           1HD      LYS  91   9.111  -1.056  -4.289
  704    HD3  LYS  91           2HD      LYS  91  10.195  -0.545  -5.577
  705    HE2  LYS  91           1HE      LYS  91   8.735  -1.274  -7.288
  706    HE3  LYS  91           2HE      LYS  91   7.809  -2.308  -6.202
  707    HZ1  LYS  91           3HZ      LYS  91   6.643  -0.234  -6.758
  708    HZ2  LYS  91           1HZ      LYS  91   6.868  -0.380  -5.147
  709    HZ3  LYS  91           2HZ      LYS  91   7.810   0.649  -6.030
  710    H    ILE  92           H        ILE  92   7.645  -1.831  -2.493
  711    HA   ILE  92           HA       ILE  92   5.256  -3.583  -2.207
  712    HB   ILE  92           HB       ILE  92   4.409  -2.051  -0.407
  713   HG12  ILE  92          1HG1      ILE  92   7.288  -1.134  -0.253
  714   HG13  ILE  92          2HG1      ILE  92   5.942  -0.185  -0.910
  715   HG21  ILE  92          1HG2      ILE  92   5.282  -4.271   0.093
  716   HG22  ILE  92          2HG2      ILE  92   6.916  -3.625   0.284
  717   HG23  ILE  92          3HG2      ILE  92   5.606  -3.146   1.398
  718   HD11  ILE  92          3HD1      ILE  92   6.197   0.693   1.198
  719   HD12  ILE  92          1HD1      ILE  92   4.926  -0.517   1.497
  720   HD13  ILE  92          2HD1      ILE  92   6.617  -0.872   1.931
  721    H    LYS  93           H        LYS  93   3.240  -2.199  -2.298
  722    HA   LYS  93           HA       LYS  93   3.403   0.335  -3.726
  723    HB2  LYS  93           1HB      LYS  93   2.208  -0.323  -5.712
  724    HB3  LYS  93           2HB      LYS  93   3.642  -1.335  -5.589
  725    HG2  LYS  93           1HG      LYS  93   2.303  -3.217  -4.765
  726    HG3  LYS  93           2HG      LYS  93   0.854  -2.205  -4.688
  727    HD2  LYS  93           1HD      LYS  93   0.849  -1.898  -7.097
  728    HD3  LYS  93           2HD      LYS  93   2.315  -2.895  -7.260
  729    HE2  LYS  93           1HE      LYS  93   1.193  -4.866  -6.514
  730    HE3  LYS  93           2HE      LYS  93  -0.167  -3.949  -5.850
  731    HZ1  LYS  93           3HZ      LYS  93  -0.668  -5.048  -7.991
  732    HZ2  LYS  93           1HZ      LYS  93  -0.934  -3.441  -8.010
  733    HZ3  LYS  93           2HZ      LYS  93   0.402  -4.069  -8.752
  734    H    ARG  94           H        ARG  94   1.270   1.261  -4.141
  735    HA   ARG  94           HA       ARG  94  -0.892   0.378  -2.263
  736    HB2  ARG  94           1HB      ARG  94  -0.315   3.066  -3.572
  737    HB3  ARG  94           2HB      ARG  94  -1.824   2.678  -2.731
  738    HG2  ARG  94           1HG      ARG  94  -0.603   2.216  -0.656
  739    HG3  ARG  94           2HG      ARG  94   0.940   2.595  -1.437
  740    HD2  ARG  94           1HD      ARG  94  -1.377   4.549  -1.067
  741    HD3  ARG  94           2HD      ARG  94   0.046   4.453  -0.039
  742    HE   ARG  94           HE       ARG  94   1.446   5.223  -1.806
  743   HH11  ARG  94          1HH1      ARG  94  -2.004   5.519  -2.724
  744   HH12  ARG  94          2HH1      ARG  94  -1.557   6.575  -4.064
  745   HH21  ARG  94          1HH2      ARG  94   1.774   6.631  -3.572
  746   HH22  ARG  94          2HH2      ARG  94   0.355   7.144  -4.485
  747    H    ASP  95           H        ASP  95  -2.924   0.001  -3.121
  748    HA   ASP  95           HA       ASP  95  -3.447   0.321  -6.007
  749    HB2  ASP  95           1HB      ASP  95  -2.479  -2.145  -5.110
  750    HB3  ASP  95           2HB      ASP  95  -4.241  -2.347  -5.046
  751    H    ILE  96           H        ILE  96  -5.744  -0.785  -6.393
  752    HA   ILE  96           HA       ILE  96  -7.637   0.324  -4.339
  753    HB   ILE  96           HB       ILE  96  -7.661   0.818  -7.332
  754   HG12  ILE  96          1HG1      ILE  96  -5.865   2.123  -6.238
  755   HG13  ILE  96          2HG1      ILE  96  -7.131   3.131  -6.900
  756   HG21  ILE  96          1HG2      ILE  96  -9.946   0.810  -6.523
  757   HG22  ILE  96          2HG2      ILE  96  -9.516   1.756  -5.078
  758   HG23  ILE  96          3HG2      ILE  96  -9.489   2.505  -6.689
  759   HD11  ILE  96          3HD1      ILE  96  -6.286   3.807  -4.595
  760   HD12  ILE  96          1HD1      ILE  96  -8.045   3.595  -4.736
  761   HD13  ILE  96          2HD1      ILE  96  -7.085   2.340  -3.971
  762    H    ILE  97           H        ILE  97  -9.433  -0.733  -4.076
  763    HA   ILE  97           HA       ILE  97  -9.950  -3.285  -5.531
  764    HB   ILE  97           HB       ILE  97 -11.336  -2.153  -3.101
  765   HG12  ILE  97          1HG1      ILE  97 -10.173  -4.310  -2.102
  766   HG13  ILE  97          2HG1      ILE  97  -8.989  -4.033  -3.368
  767   HG21  ILE  97          1HG2      ILE  97 -12.832  -3.562  -4.297
  768   HG22  ILE  97          2HG2      ILE  97 -11.591  -4.830  -4.491
  769   HG23  ILE  97          3HG2      ILE  97 -12.266  -4.449  -2.886
  770   HD11  ILE  97          3HD1      ILE  97  -8.682  -2.983  -0.995
  771   HD12  ILE  97          1HD1      ILE  97  -8.331  -1.949  -2.400
  772   HD13  ILE  97          2HD1      ILE  97  -9.858  -1.780  -1.491
  773    H    ASP  98           H        ASP  98 -11.732  -3.662  -6.768
  774    HA   ASP  98           HA       ASP  98 -13.307  -1.328  -7.653
  775    HB2  ASP  98           1HB      ASP  98 -12.054  -2.713  -9.282
  776    HB3  ASP  98           2HB      ASP  98 -12.989  -4.126  -8.805
  777    H    ILE  99           H        ILE  99 -13.817  -4.322  -5.994
  778    HA   ILE  99           HA       ILE  99 -15.460  -5.168  -4.729
  779    HB   ILE  99           HB       ILE  99 -17.130  -2.725  -5.309
  780   HG12  ILE  99          1HG1      ILE  99 -14.970  -2.132  -4.197
  781   HG13  ILE  99          2HG1      ILE  99 -16.392  -1.784  -3.236
  782   HG21  ILE  99          1HG2      ILE  99 -18.539  -4.523  -4.508
  783   HG22  ILE  99          2HG2      ILE  99 -17.455  -4.824  -3.143
  784   HG23  ILE  99          3HG2      ILE  99 -18.356  -3.298  -3.255
  785   HD11  ILE  99          3HD1      ILE  99 -14.490  -2.748  -1.931
  786   HD12  ILE  99          1HD1      ILE  99 -15.991  -3.662  -1.770
  787   HD13  ILE  99          2HD1      ILE  99 -14.691  -4.274  -2.813
  788    HA   PRO 100           HA       PRO 100 -17.734  -7.275  -7.983
  789    HB2  PRO 100           1HB      PRO 100 -18.528  -9.498  -6.646
  790    HB3  PRO 100           2HB      PRO 100 -16.808  -9.176  -7.001
  791    HG2  PRO 100           1HG      PRO 100 -18.319  -8.598  -4.426
  792    HG3  PRO 100           2HG      PRO 100 -16.752  -9.448  -4.615
  793    HD2  PRO 100           1HD      PRO 100 -16.928  -6.766  -4.020
  794    HD3  PRO 100           2HD      PRO 100 -15.606  -7.441  -5.018
  795    H    LYS 101           H        LYS 101 -19.926  -8.167  -8.374
  796    HA   LYS 101           HA       LYS 101 -22.002  -6.380  -7.641
  797    HB2  LYS 101           1HB      LYS 101 -23.496  -7.892  -8.798
  798    HB3  LYS 101           2HB      LYS 101 -21.996  -7.682  -9.698
  799    HG2  LYS 101           1HG      LYS 101 -21.191  -9.899  -8.841
  800    HG3  LYS 101           2HG      LYS 101 -22.736 -10.107  -7.992
  801    HD2  LYS 101           1HD      LYS 101 -23.944  -9.984 -10.153
  802    HD3  LYS 101           2HD      LYS 101 -22.397  -9.775 -11.005
  803    HE2  LYS 101           1HE      LYS 101 -21.625 -11.974 -10.130
  804    HE3  LYS 101           2HE      LYS 101 -23.166 -12.183  -9.287
  805    HZ1  LYS 101           3HZ      LYS 101 -23.157 -13.344 -11.413
  806    HZ2  LYS 101           1HZ      LYS 101 -24.278 -12.158 -11.452
  807    HZ3  LYS 101           2HZ      LYS 101 -22.853 -11.965 -12.231
  808    H    LYS 102           H        LYS 102 -21.030  -9.374  -6.069
  809    HA   LYS 102           HA       LYS 102 -23.262  -9.587  -4.246
  810    HB2  LYS 102           1HB      LYS 102 -21.709 -11.416  -4.945
  811    HB3  LYS 102           2HB      LYS 102 -20.411 -10.644  -4.024
  812    HG2  LYS 102           1HG      LYS 102 -21.657 -11.003  -1.924
  813    HG3  LYS 102           2HG      LYS 102 -23.055 -11.601  -2.830
  814    HD2  LYS 102           1HD      LYS 102 -21.868 -13.467  -1.866
  815    HD3  LYS 102           2HD      LYS 102 -21.714 -13.531  -3.627
  816    HE2  LYS 102           1HE      LYS 102 -19.435 -12.549  -3.469
  817    HE3  LYS 102           2HE      LYS 102 -19.606 -12.416  -1.713
  818    HZ1  LYS 102           3HZ      LYS 102 -18.371 -14.405  -2.338
  819    HZ2  LYS 102           1HZ      LYS 102 -19.767 -14.840  -1.613
  820    HZ3  LYS 102           2HZ      LYS 102 -19.614 -14.964  -3.237
  821    H    GLY 103           H        GLY 103 -20.362  -7.627  -4.194
  822    HA2  GLY 103           1HA      GLY 103 -20.715  -6.733  -1.384
  823    HA3  GLY 103           2HA      GLY 103 -19.459  -6.219  -2.535
  824    H    VAL 104           H        VAL 104 -21.102  -5.426  -4.695
  825    HA   VAL 104           HA       VAL 104 -22.002  -2.818  -3.913
  826    HB   VAL 104           HB       VAL 104 -22.477  -4.403  -6.460
  827   HG11  VAL 104          1HG1      VAL 104 -24.274  -2.741  -6.368
  828   HG12  VAL 104          2HG1      VAL 104 -23.113  -1.464  -5.930
  829   HG13  VAL 104          3HG1      VAL 104 -23.063  -2.223  -7.536
  830   HG21  VAL 104          3HG2      VAL 104 -20.769  -2.868  -7.398
  831   HG22  VAL 104          1HG2      VAL 104 -20.593  -2.085  -5.813
  832   HG23  VAL 104          2HG2      VAL 104 -20.116  -3.778  -6.038
  833    H    SER 105           H        SER 105 -23.840  -5.869  -4.441
  834    HA   SER 105           HA       SER 105 -26.440  -4.620  -3.956
  835    HB2  SER 105           1HB      SER 105 -25.637  -7.553  -3.953
  836    HB3  SER 105           2HB      SER 105 -27.286  -6.910  -3.953
  837    HG   SER 105           HG       SER 105 -25.318  -6.762  -6.001
  838    H    GLY 106           H        GLY 106 -27.330  -4.135  -2.013
  839    HA2  GLY 106           1HA      GLY 106 -26.040  -4.894   0.491
  840    HA3  GLY 106           2HA      GLY 106 -27.499  -3.907   0.305
  841    HA   PRO 107           HA       PRO 107 -28.615  -8.451   1.325
  842    HB2  PRO 107           1HB      PRO 107 -28.317  -8.771   4.008
  843    HB3  PRO 107           2HB      PRO 107 -26.951  -8.970   2.866
  844    HG2  PRO 107           1HG      PRO 107 -27.669  -6.505   4.494
  845    HG3  PRO 107           2HG      PRO 107 -26.074  -7.313   4.362
  846    HD2  PRO 107           1HD      PRO 107 -26.739  -5.144   2.833
  847    HD3  PRO 107           2HD      PRO 107 -25.717  -6.468   2.197
  848    H    SER 108           H        SER 108 -29.356  -5.368   2.844
  849    HA   SER 108           HA       SER 108 -32.245  -6.006   3.003
  850    HB2  SER 108           1HB      SER 108 -32.308  -5.190   5.340
  851    HB3  SER 108           2HB      SER 108 -31.363  -6.670   5.162
  852    HG   SER 108           HG       SER 108 -30.307  -5.106   6.500
  853    H    SER 109           H        SER 109 -30.438  -4.216   1.345
  854    HA   SER 109           HA       SER 109 -31.843  -1.659   1.550
  855    HB2  SER 109           1HB      SER 109 -29.781  -0.361   1.971
  856    HB3  SER 109           2HB      SER 109 -30.216  -1.387   3.342
  857    HG   SER 109           HG       SER 109 -27.961  -1.490   2.858
  858    H    GLY 110           H        GLY 110 -31.123  -0.113  -0.113
  859    HA2  GLY 110           1HA      GLY 110 -29.328  -0.585  -2.218
  860    HA3  GLY 110           2HA      GLY 110 -30.858  -1.313  -2.713
  861   H5'1  ATP 201          H5"       ATP 111  11.897 -12.460   3.855
  862   H5'2  ATP 201          H5'       ATP 111  12.670 -13.970   4.340
  863    H4'  ATP 201           H4'      ATP 111  11.481 -13.803   6.562
  864    H3'  ATP 201           H3'      ATP 111  10.618 -14.961   4.274
  865   HO3'  ATP 201          H3T       ATP 111   8.542 -15.326   5.481
  866    H2'  ATP 201           H2'      ATP 111   9.774 -12.949   3.290
  867   HO2'  ATP 201          2HO       ATP 111   8.050 -14.479   3.158
  868    H1'  ATP 201           H1'      ATP 111   8.303 -12.314   5.836
  869    H8   ATP 201           8H       ATP 111  11.003 -10.173   4.059
  870   HN61  ATP 201          2H6       ATP 111   7.860  -6.841   2.173
  871   HN62  ATP 201          1H6       ATP 111   6.112  -6.670   2.396
  872    H2   ATP 201           2H       ATP 111   4.649  -9.846   4.917