*HEADER    OXIDOREDUCTASE                          08-MAR-05   1Z2D              
*TITLE     SOLUTION STRUCTURE OF BACILLUS SUBTILIS ARSC IN REDUCED               
*TITLE    2 STATE                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARSENATE REDUCTASE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ARSENICAL PUMP MODIFIER;                                    
*COMPND   5 EC: 1.20.4.1;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    BACILLUS SUBTILIS, ARSENATE REDUCTASE, SOLUTION STRUCTURE,            
*KEYWDS   2 STRUCTURAL GENOMICS                                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.JIN, Y.LI                                                           
*REVDAT   1   04-OCT-05 1Z2D    0                                                


#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,33,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=37,42,40,41, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=35,47,38,39, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=51,56,54,55, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=53,59,57,58, &end
#
#  chirality for residue 4 atoms:  CD NZ HE2 HE3
 &rst iat=59,65,63,64, &end
#
#  chirality for residue 4 atoms:  CG CE HD2 HD3
 &rst iat=56,62,60,61, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=49,69,52,53, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=73,77,81,76, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=75,84,82,83, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=71,88,74,75, &end
#
#  chirality for residue 6 atoms:  CA CG2 CG1 HB
 &rst iat=92,96,100,95, &end
#
#  chirality for residue 6 atoms:  CB CD1 HG12 HG13
 &rst iat=94,103,101,102, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=90,107,93,94, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=111,116,114,115, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=109,128,112,113, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=132,137,135,136, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=130,148,133,134, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=152,157,155,156, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=154,159,163,158, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=150,167,153,154, &end
#
#  chirality for residue 10 atoms:  CA SG HB2 HB3
 &rst iat=171,176,174,175, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=169,178,172,173, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=182,186,190,185, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=180,192,183,184, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=194,199,197,198, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=203,208,206,207, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=201,213,204,205, &end
#
#  chirality for residue 14 atoms:  CA OG HB2 HB3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=215,224,218,219, &end
#
#  chirality for residue 15 atoms:  CA SG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=226,235,229,230, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=239,244,242,243, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 16 atoms:  CG NE HD2 HD3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=237,259,240,241, &end
#
#  chirality for residue 17 atoms:  CA OG HB2 HB3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=261,270,264,265, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=274,279,277,278, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=276,282,280,281, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=272,287,275,276, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 19 atoms:  CB SD HG2 HG3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=289,304,292,293, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=306,314,309,310, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=318,323,321,322, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=320,326,324,325, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=316,329,319,320, &end
#
#  chirality for residue 22 atoms:  N C HA2 HA3
 &rst iat=331,336,334,335, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=340,345,343,344, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=338,360,341,342, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=362,370,365,366, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=374,379,377,378, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=376,382,380,381, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=382,388,386,387, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=379,385,383,384, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=372,392,375,376, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=396,401,399,400, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=398,404,402,403, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=394,409,397,398, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=411,430,414,415, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=434,439,437,438, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=436,441,445,440, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=432,449,435,436, &end
#
#  chirality for residue 29 atoms:  N C HA2 HA3
 &rst iat=451,456,454,455, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=460,465,463,464, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=458,468,461,462, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=472,477,475,476, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=474,480,478,479, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=470,483,473,474, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=487,492,490,491, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=485,507,488,489, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=511,516,514,515, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=513,519,517,518, &end
#
#  chirality for residue 33 atoms:  CD NZ HE2 HE3
 &rst iat=519,525,523,524, &end
#
#  chirality for residue 33 atoms:  CG CE HD2 HD3
 &rst iat=516,522,520,521, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=509,529,512,513, &end
#
#  chirality for residue 34 atoms:  CA CG1 CG2 HB
 &rst iat=533,537,541,536, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=531,545,534,535, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=549,554,552,553, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=547,566,550,551, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=570,575,573,574, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=568,577,571,572, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=579,587,582,583, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=589,594,592,593, &end
#
#  chirality for residue 39 atoms:  CA CG2 CG1 HB
 &rst iat=598,602,606,601, &end
#
#  chirality for residue 39 atoms:  CB CD1 HG12 HG13
 &rst iat=600,609,607,608, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=596,613,599,600, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=617,622,620,621, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=619,625,623,624, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=615,628,618,619, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=630,638,633,634, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=642,647,645,646, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=640,655,643,644, &end
#
#  chirality for residue 43 atoms:  N C HA2 HA3
 &rst iat=657,662,660,661, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=666,671,669,670, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=668,673,677,672, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=664,681,667,668, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=685,690,688,689, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=683,695,686,687, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=707,701,705,706, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=704,698,702,703, &end
#
#  chirality for residue 46 atoms:  CG N HD2 HD3
 &rst iat=701,697,699,700, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=697,709,708,704, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=711,723,714,715, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=725,733,728,729, &end
#
#  chirality for residue 49 atoms:  CA CG1 CG2 HB
 &rst iat=737,741,745,740, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=735,749,738,739, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=753,758,756,757, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=755,761,759,760, &end
#
#  chirality for residue 50 atoms:  CD NZ HE2 HE3
 &rst iat=761,767,765,766, &end
#
#  chirality for residue 50 atoms:  CG CE HD2 HD3
 &rst iat=758,764,762,763, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=751,771,754,755, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=773,781,776,777, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=785,790,788,789, &end
#
#  chirality for residue 52 atoms:  CB SD HG2 HG3
 &rst iat=787,793,791,792, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=783,798,786,787, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=802,807,805,806, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=804,810,808,809, &end
#
#  chirality for residue 53 atoms:  CD NZ HE2 HE3
 &rst iat=810,816,814,815, &end
#
#  chirality for residue 53 atoms:  CG CE HD2 HD3
 &rst iat=807,813,811,812, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=800,820,803,804, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=824,829,827,828, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=826,832,830,831, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=822,835,825,826, &end
#
#  chirality for residue 55 atoms:  CA CG1 CG2 HB
 &rst iat=839,843,847,842, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=837,851,840,841, &end
#
#  chirality for residue 56 atoms:  N C HA2 HA3
 &rst iat=853,858,856,857, &end
#
#  chirality for residue 57 atoms:  CA CG2 CG1 HB
 &rst iat=862,866,870,865, &end
#
#  chirality for residue 57 atoms:  CB CD1 HG12 HG13
 &rst iat=864,873,871,872, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=860,877,863,864, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=881,886,884,885, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=879,889,882,883, &end
#
#  chirality for residue 59 atoms:  CA CG2 CG1 HB
 &rst iat=893,897,901,896, &end
#
#  chirality for residue 59 atoms:  CB CD1 HG12 HG13
 &rst iat=895,904,902,903, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=891,908,894,895, &end
#
#  chirality for residue 60 atoms:  CA OG HB2 HB3
 &rst iat=912,917,915,916, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=910,919,913,914, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=923,928,926,927, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=921,933,924,925, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=937,942,940,941, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=939,945,943,944, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=935,950,938,939, &end
#
#  chirality for residue 63 atoms:  CA CG2 OG1 HB
 &rst iat=954,958,962,957, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=952,964,955,956, &end
#
#  chirality for residue 64 atoms:  CA OG HB2 HB3
 &rst iat=968,973,971,972, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=966,975,969,970, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=979,984,982,983, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=977,987,980,981, &end
#
#  chirality for residue 66 atoms:  CA CG2 CG1 HB
 &rst iat=991,995,999,994, &end
#
#  chirality for residue 66 atoms:  CB CD1 HG12 HG13
 &rst iat=993,1002,1000,1001, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=989,1006,992,993, &end
#
#  chirality for residue 67 atoms:  CA CG2 CG1 HB
 &rst iat=1010,1014,1018,1013, &end
#
#  chirality for residue 67 atoms:  CB CD1 HG12 HG13
 &rst iat=1012,1021,1019,1020, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1008,1025,1011,1012, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1029,1034,1032,1033, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1027,1037,1030,1031, &end
#
#  chirality for residue 69 atoms:  CA OG HB2 HB3
 &rst iat=1041,1046,1044,1045, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1039,1048,1042,1043, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1052,1057,1055,1056, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1050,1060,1053,1054, &end
#
#  chirality for residue 71 atoms:  CA CG2 CG1 HB
 &rst iat=1064,1068,1072,1067, &end
#
#  chirality for residue 71 atoms:  CB CD1 HG12 HG13
 &rst iat=1066,1075,1073,1074, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1062,1079,1065,1066, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1083,1088,1086,1087, &end
#
#  chirality for residue 72 atoms:  CB CD1 CD2 HG
 &rst iat=1085,1090,1094,1089, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1081,1098,1084,1085, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1102,1107,1105,1106, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1100,1112,1103,1104, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1114,1126,1117,1118, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1128,1136,1131,1132, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1140,1145,1143,1144, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1138,1148,1141,1142, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1152,1157,1155,1156, &end
#
#  chirality for residue 77 atoms:  CB CD1 CD2 HG
 &rst iat=1154,1159,1163,1158, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1150,1167,1153,1154, &end
#
#  chirality for residue 78 atoms:  CA CG1 CG2 HB
 &rst iat=1171,1175,1179,1174, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1169,1183,1172,1173, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1187,1191,1195,1190, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1185,1199,1188,1189, &end
#
#  chirality for residue 80 atoms:  CA CG2 OG1 HB
 &rst iat=1203,1207,1211,1206, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1201,1213,1204,1205, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1217,1222,1220,1221, &end
#
#  chirality for residue 81 atoms:  CB CD1 CD2 HG
 &rst iat=1219,1224,1228,1223, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1215,1232,1218,1219, &end
#
#  chirality for residue 82 atoms:  CA SG HB2 HB3
 &rst iat=1236,1241,1239,1240, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1234,1243,1237,1238, &end
#
#  chirality for residue 83 atoms:  N C HA2 HA3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1254,1259,1257,1258, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1252,1262,1255,1256, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1264,1272,1267,1268, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1274,1282,1277,1278, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1286,1291,1289,1290, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1284,1294,1287,1288, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1298,1303,1301,1302, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1300,1306,1304,1305, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=1306,1312,1310,1311, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=1303,1309,1307,1308, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1296,1316,1299,1300, &end
#
#  chirality for residue 89 atoms:  CA SG HB2 HB3
 &rst iat=1320,1325,1323,1324, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1318,1327,1321,1322, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1339,1333,1337,1338, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1336,1330,1334,1335, &end
#
#  chirality for residue 90 atoms:  CG N HD2 HD3
 &rst iat=1333,1329,1331,1332, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1329,1341,1340,1336, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1345,1350,1348,1349, &end
#
#  chirality for residue 91 atoms:  CB SD HG2 HG3
 &rst iat=1347,1353,1351,1352, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1343,1358,1346,1347, &end
#
#  chirality for residue 92 atoms:  CA CG2 OG1 HB
 &rst iat=1362,1366,1370,1365, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1360,1372,1363,1364, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1384,1378,1382,1383, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1381,1375,1379,1380, &end
#
#  chirality for residue 93 atoms:  CG N HD2 HD3
 &rst iat=1378,1374,1376,1377, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1374,1386,1385,1381, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1398,1392,1396,1397, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1395,1389,1393,1394, &end
#
#  chirality for residue 94 atoms:  CG N HD2 HD3
 &rst iat=1392,1388,1390,1391, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1388,1400,1399,1395, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1404,1409,1407,1408, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1402,1417,1405,1406, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1421,1425,1429,1424, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1419,1433,1422,1423, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1437,1442,1440,1441, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1439,1445,1443,1444, &end
#
#  chirality for residue 97 atoms:  CD NZ HE2 HE3
 &rst iat=1445,1451,1449,1450, &end
#
#  chirality for residue 97 atoms:  CG CE HD2 HD3
 &rst iat=1442,1448,1446,1447, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1435,1455,1438,1439, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1459,1464,1462,1463, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1461,1467,1465,1466, &end
#
#  chirality for residue 98 atoms:  CG NE HD2 HD3
 &rst iat=1464,1470,1468,1469, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1457,1479,1460,1461, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1483,1488,1486,1487, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1485,1491,1489,1490, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1481,1494,1484,1485, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1498,1503,1501,1502, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1496,1511,1499,1500, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1515,1520,1518,1519, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1513,1535,1516,1517, &end
#
#  chirality for residue 102 atoms:  N C HA2 HA3
 &rst iat=1537,1542,1540,1541, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1546,1551,1549,1550, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1544,1562,1547,1548, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1566,1571,1569,1570, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1564,1574,1567,1568, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1578,1583,1581,1582, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1576,1586,1579,1580, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1598,1592,1596,1597, &end
#
#  chirality for residue 106 atoms:  CB CD HG2 HG3
 &rst iat=1595,1589,1593,1594, &end
#
#  chirality for residue 106 atoms:  CG N HD2 HD3
 &rst iat=1592,1588,1590,1591, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1588,1600,1599,1595, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1602,1610,1605,1606, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1614,1619,1617,1618, &end
#
#  chirality for residue 108 atoms:  CB CD HG2 HG3
 &rst iat=1616,1622,1620,1621, &end
#
#  chirality for residue 108 atoms:  CG NE HD2 HD3
 &rst iat=1619,1625,1623,1624, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1612,1634,1615,1616, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1636,1644,1639,1640, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1648,1653,1651,1652, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1650,1656,1654,1655, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1646,1661,1649,1650, &end
#
#  chirality for residue 111 atoms:  N C HA2 HA3
 &rst iat=1663,1668,1666,1667, &end
#
#  chirality for residue 112 atoms:  CA CG2 OG1 HB
 &rst iat=1672,1676,1680,1675, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1670,1682,1673,1674, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1686,1691,1689,1690, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1688,1694,1692,1693, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1684,1697,1687,1688, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1701,1706,1704,1705, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1703,1709,1707,1708, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1699,1712,1702,1703, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1716,1721,1719,1720, &end
#
#  chirality for residue 115 atoms:  CB CD HG2 HG3
 &rst iat=1718,1724,1722,1723, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1714,1727,1717,1718, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1731,1736,1734,1735, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1733,1739,1737,1738, &end
#
#  chirality for residue 116 atoms:  CD NZ HE2 HE3
 &rst iat=1739,1745,1743,1744, &end
#
#  chirality for residue 116 atoms:  CG CE HD2 HD3
 &rst iat=1736,1742,1740,1741, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1729,1749,1732,1733, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1753,1758,1756,1757, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1751,1773,1754,1755, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1775,1783,1778,1779, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1787,1792,1790,1791, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1785,1803,1788,1789, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1807,1812,1810,1811, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1805,1823,1808,1809, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1827,1832,1830,1831, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1829,1835,1833,1834, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1825,1840,1828,1829, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1844,1849,1847,1848, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1846,1852,1850,1851, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=1849,1855,1853,1854, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1842,1864,1845,1846, &end
#
#  chirality for residue 123 atoms:  CA CG1 CG2 HB
 &rst iat=1868,1872,1876,1871, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1866,1880,1869,1870, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1884,1889,1887,1888, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1886,1892,1890,1891, &end
#
#  chirality for residue 124 atoms:  CG NE HD2 HD3
 &rst iat=1889,1895,1893,1894, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1882,1904,1885,1886, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1908,1913,1911,1912, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1906,1916,1909,1910, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1920,1925,1923,1924, &end
#
#  chirality for residue 126 atoms:  CB CD HG2 HG3
 &rst iat=1922,1928,1926,1927, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1918,1931,1921,1922, &end
#
#  chirality for residue 127 atoms:  CA CG2 CG1 HB
 &rst iat=1935,1939,1943,1938, &end
#
#  chirality for residue 127 atoms:  CB CD1 HG12 HG13
 &rst iat=1937,1946,1944,1945, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1933,1950,1936,1937, &end
#
#  chirality for residue 128 atoms:  N C HA2 HA3
 &rst iat=1952,1957,1955,1956, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1961,1966,1964,1965, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1959,1971,1962,1963, &end
#
#  chirality for residue 130 atoms:  CA CG HB2 HB3
 &rst iat=1975,1980,1978,1979, &end
#
#  chirality for residue 130 atoms:  CB CD HG2 HG3
 &rst iat=1977,1983,1981,1982, &end
#
#  chirality for residue 130 atoms:  CG NE HD2 HD3
 &rst iat=1980,1986,1984,1985, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1973,1995,1976,1977, &end
#
#  chirality for residue 131 atoms:  CA CG HB2 HB3
 &rst iat=1999,2004,2002,2003, &end
#
#  chirality for residue 131 atoms:  CB CD1 CD2 HG
 &rst iat=2001,2006,2010,2005, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1997,2014,2000,2001, &end
#
#  chirality for residue 132 atoms:  CA CG HB2 HB3
 &rst iat=2018,2023,2021,2022, &end
#
#  chirality for residue 132 atoms:  CB CD HG2 HG3
 &rst iat=2020,2026,2024,2025, &end
#
#  chirality for residue 132 atoms:  CD NZ HE2 HE3
 &rst iat=2026,2032,2030,2031, &end
#
#  chirality for residue 132 atoms:  CG CE HD2 HD3
 &rst iat=2023,2029,2027,2028, &end
#
#  chirality for residue 132 atoms:  N C HA CB
 &rst iat=2016,2036,2019,2020, &end
#
#  chirality for residue 133 atoms:  CA CG HB2 HB3
 &rst iat=2040,2045,2043,2044, &end
#
#  chirality for residue 133 atoms:  CB CD HG2 HG3
 &rst iat=2042,2048,2046,2047, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2038,2051,2041,2042, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2055,2060,2058,2059, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2053,2071,2056,2057, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2073,2081,2076,2077, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2085,2090,2088,2089, &end
#
#  chirality for residue 136 atoms:  CB CD HG2 HG3
 &rst iat=2087,2093,2091,2092, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2083,2096,2086,2087, &end
#
#  chirality for residue 137 atoms:  CA CG2 OG1 HB
 &rst iat=2100,2104,2108,2103, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2098,2110,2101,2102, &end
#
#  chirality for residue 138 atoms:  N C HA2 HA3
 &rst iat=2112,2117,2115,2116, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2121,2126,2124,2125, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2123,2129,2127,2128, &end
#
#  chirality for residue 139 atoms:  CD NZ HE2 HE3
 &rst iat=2129,2135,2133,2134, &end
#
#  chirality for residue 139 atoms:  CG CE HD2 HD3
 &rst iat=2126,2132,2130,2131, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2119,2139,2122,2123, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=37,35,33,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=51,49,47,37, &end
#
#  trans-omega constraint for residue 5
 &rst iat=73,71,69,51, &end
#
#  trans-omega constraint for residue 6
 &rst iat=92,90,88,73, &end
#
#  trans-omega constraint for residue 7
 &rst iat=111,109,107,92, &end
#
#  trans-omega constraint for residue 8
 &rst iat=132,130,128,111, &end
#
#  trans-omega constraint for residue 9
 &rst iat=152,150,148,132, &end
#
#  trans-omega constraint for residue 10
 &rst iat=171,169,167,152, &end
#
#  trans-omega constraint for residue 11
 &rst iat=182,180,178,171, &end
#
#  trans-omega constraint for residue 12
 &rst iat=196,194,192,182, &end
#
#  trans-omega constraint for residue 13
 &rst iat=203,201,199,196, &end
#
#  trans-omega constraint for residue 14
 &rst iat=217,215,213,203, &end
#
#  trans-omega constraint for residue 15
 &rst iat=228,226,224,217, &end
#
#  trans-omega constraint for residue 16
 &rst iat=239,237,235,228, &end
#
#  trans-omega constraint for residue 17
 &rst iat=263,261,259,239, &end
#
#  trans-omega constraint for residue 18
 &rst iat=274,272,270,263, &end
#
#  trans-omega constraint for residue 19
 &rst iat=291,289,287,274, &end
#
#  trans-omega constraint for residue 20
 &rst iat=308,306,304,291, &end
#
#  trans-omega constraint for residue 21
 &rst iat=318,316,314,308, &end
#
#  trans-omega constraint for residue 22
 &rst iat=333,331,329,318, &end
#
#  trans-omega constraint for residue 23
 &rst iat=340,338,336,333, &end
#
#  trans-omega constraint for residue 24
 &rst iat=364,362,360,340, &end
#
#  trans-omega constraint for residue 25
 &rst iat=374,372,370,364, &end
#
#  trans-omega constraint for residue 26
 &rst iat=396,394,392,374, &end
#
#  trans-omega constraint for residue 27
 &rst iat=413,411,409,396, &end
#
#  trans-omega constraint for residue 28
 &rst iat=434,432,430,413, &end
#
#  trans-omega constraint for residue 29
 &rst iat=453,451,449,434, &end
#
#  trans-omega constraint for residue 30
 &rst iat=460,458,456,453, &end
#
#  trans-omega constraint for residue 31
 &rst iat=472,470,468,460, &end
#
#  trans-omega constraint for residue 32
 &rst iat=487,485,483,472, &end
#
#  trans-omega constraint for residue 33
 &rst iat=511,509,507,487, &end
#
#  trans-omega constraint for residue 34
 &rst iat=533,531,529,511, &end
#
#  trans-omega constraint for residue 35
 &rst iat=549,547,545,533, &end
#
#  trans-omega constraint for residue 36
 &rst iat=570,568,566,549, &end
#
#  trans-omega constraint for residue 37
 &rst iat=581,579,577,570, &end
#
#  trans-omega constraint for residue 38
 &rst iat=591,589,587,581, &end
#
#  trans-omega constraint for residue 39
 &rst iat=598,596,594,591, &end
#
#  trans-omega constraint for residue 40
 &rst iat=617,615,613,598, &end
#
#  trans-omega constraint for residue 41
 &rst iat=632,630,628,617, &end
#
#  trans-omega constraint for residue 42
 &rst iat=642,640,638,632, &end
#
#  trans-omega constraint for residue 43
 &rst iat=659,657,655,642, &end
#
#  trans-omega constraint for residue 44
 &rst iat=666,664,662,659, &end
#
#  trans-omega constraint for residue 45
 &rst iat=685,683,681,666, &end
#
#  trans-omega constraint for residue 46
 &rst iat=707,697,695,685, &end
#
#  trans-omega constraint for residue 47
 &rst iat=713,711,709,707, &end
#
#  trans-omega constraint for residue 48
 &rst iat=727,725,723,713, &end
#
#  trans-omega constraint for residue 49
 &rst iat=737,735,733,727, &end
#
#  trans-omega constraint for residue 50
 &rst iat=753,751,749,737, &end
#
#  trans-omega constraint for residue 51
 &rst iat=775,773,771,753, &end
#
#  trans-omega constraint for residue 52
 &rst iat=785,783,781,775, &end
#
#  trans-omega constraint for residue 53
 &rst iat=802,800,798,785, &end
#
#  trans-omega constraint for residue 54
 &rst iat=824,822,820,802, &end
#
#  trans-omega constraint for residue 55
 &rst iat=839,837,835,824, &end
#
#  trans-omega constraint for residue 56
 &rst iat=855,853,851,839, &end
#
#  trans-omega constraint for residue 57
 &rst iat=862,860,858,855, &end
#
#  trans-omega constraint for residue 58
 &rst iat=881,879,877,862, &end
#
#  trans-omega constraint for residue 59
 &rst iat=893,891,889,881, &end
#
#  trans-omega constraint for residue 60
 &rst iat=912,910,908,893, &end
#
#  trans-omega constraint for residue 61
 &rst iat=923,921,919,912, &end
#
#  trans-omega constraint for residue 62
 &rst iat=937,935,933,923, &end
#
#  trans-omega constraint for residue 63
 &rst iat=954,952,950,937, &end
#
#  trans-omega constraint for residue 64
 &rst iat=968,966,964,954, &end
#
#  trans-omega constraint for residue 65
 &rst iat=979,977,975,968, &end
#
#  trans-omega constraint for residue 66
 &rst iat=991,989,987,979, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1010,1008,1006,991, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1029,1027,1025,1010, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1041,1039,1037,1029, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1052,1050,1048,1041, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1064,1062,1060,1052, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1083,1081,1079,1064, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1102,1100,1098,1083, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1116,1114,1112,1102, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1130,1128,1126,1116, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1140,1138,1136,1130, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1152,1150,1148,1140, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1171,1169,1167,1152, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1187,1185,1183,1171, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1203,1201,1199,1187, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1217,1215,1213,1203, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1236,1234,1232,1217, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1247,1245,1243,1236, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1254,1252,1250,1247, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1266,1264,1262,1254, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1276,1274,1272,1266, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1286,1284,1282,1276, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1298,1296,1294,1286, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1320,1318,1316,1298, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1339,1329,1327,1320, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1345,1343,1341,1339, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1362,1360,1358,1345, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1384,1374,1372,1362, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1398,1388,1386,1384, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1404,1402,1400,1398, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1421,1419,1417,1404, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1437,1435,1433,1421, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1459,1457,1455,1437, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1483,1481,1479,1459, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1498,1496,1494,1483, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1515,1513,1511,1498, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1539,1537,1535,1515, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1546,1544,1542,1539, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1566,1564,1562,1546, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1578,1576,1574,1566, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1598,1588,1586,1578, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1604,1602,1600,1598, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1614,1612,1610,1604, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1638,1636,1634,1614, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1648,1646,1644,1638, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1665,1663,1661,1648, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1672,1670,1668,1665, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1686,1684,1682,1672, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1701,1699,1697,1686, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1716,1714,1712,1701, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1731,1729,1727,1716, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1753,1751,1749,1731, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1777,1775,1773,1753, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1787,1785,1783,1777, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1807,1805,1803,1787, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1827,1825,1823,1807, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1844,1842,1840,1827, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1868,1866,1864,1844, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1884,1882,1880,1868, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1908,1906,1904,1884, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1920,1918,1916,1908, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1935,1933,1931,1920, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1954,1952,1950,1935, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1961,1959,1957,1954, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1975,1973,1971,1961, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1999,1997,1995,1975, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2018,2016,2014,1999, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2040,2038,2036,2018, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2055,2053,2051,2040, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2075,2073,2071,2055, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2085,2083,2081,2075, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2100,2098,2096,2085, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2114,2112,2110,2100, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2121,2119,2117,2114, &end
# 2141 atoms read from pdb file amb_01.pdb.
# 5 ILE PHI:  (4 LYS C)-(5 ILE N)-(5 ILE CA)-(5 ILE C) -150.0 -90.0
 &rst     iat =    69,    71,    73,    88,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
   rk2 =   30.0, rk3 =   30.0,    &end

# 6 ILE PHI:  (5 ILE C)-(6 ILE N)-(6 ILE CA)-(6 ILE C) -145.0 -95.0
 &rst     iat =    88,    90,    92,   107,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 7 TYR PHI:  (6 ILE C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -150.0 -90.0
 &rst     iat =   107,   109,   111,   128,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 11 THR PHI:  (10 CYS C)-(11 THR N)-(11 THR CA)-(11 THR C) -90.0 -40.0
 &rst     iat =   178,   180,   182,   192,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 15 CYS PHI:  (14 SER C)-(15 CYS N)-(15 CYS CA)-(15 CYS C) -150.0 -90.0
 &rst     iat =   224,   226,   228,   235,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 19 MET PHI:  (18 GLN C)-(19 MET N)-(19 MET CA)-(19 MET C) -90.0 -40.0
 &rst     iat =   287,   289,   291,   304,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 20 ALA PHI:  (19 MET C)-(20 ALA N)-(20 ALA CA)-(20 ALA C) -90.0 -40.0
 &rst     iat =   304,   306,   308,   314,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 21 GLU PHI:  (20 ALA C)-(21 GLU N)-(21 GLU CA)-(21 GLU C) -90.0 -40.0
 &rst     iat =   314,   316,   318,   329,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 23 TRP PHI:  (22 GLY C)-(23 TRP N)-(23 TRP CA)-(23 TRP C) -90.0 -40.0
 &rst     iat =   336,   338,   340,   360,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 24 ALA PHI:  (23 TRP C)-(24 ALA N)-(24 ALA CA)-(24 ALA C) -90.0 -40.0
 &rst     iat =   360,   362,   364,   370,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 25 LYS PHI:  (24 ALA C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -90.0 -40.0
 &rst     iat =   370,   372,   374,   392,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 30 ASP PHI:  (29 GLY C)-(30 ASP N)-(30 ASP CA)-(30 ASP C) -90.0 -40.0
 &rst     iat =   456,   458,   460,   468,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 33 LYS PHI:  (32 TRP C)-(33 LYS N)-(33 LYS CA)-(33 LYS C) -150.0 -90.0
 &rst     iat =   507,   509,   511,   529,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 34 VAL PHI:  (33 LYS C)-(34 VAL N)-(34 VAL CA)-(34 VAL C) -150.0 -90.0
 &rst     iat =   529,   531,   533,   545,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 35 TYR PHI:  (34 VAL C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -150.0 -90.0
 &rst     iat =   545,   547,   549,   566,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 36 SER PHI:  (35 TYR C)-(36 SER N)-(36 SER CA)-(36 SER C) -145.0 -95.0
 &rst     iat =   566,   568,   570,   577,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 40 GLU PHI:  (39 ILE C)-(40 GLU N)-(40 GLU CA)-(40 GLU C) -145.0 -95.0
 &rst     iat =   613,   615,   617,   628,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 44 LEU PHI:  (43 GLY C)-(44 LEU N)-(44 LEU CA)-(44 LEU C) -85.0 -45.0
 &rst     iat =   662,   664,   666,   681,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 49 VAL PHI:  (48 ALA C)-(49 VAL N)-(49 VAL CA)-(49 VAL C) -90.0 -40.0
 &rst     iat =   733,   735,   737,   749,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 51 ALA PHI:  (50 LYS C)-(51 ALA N)-(51 ALA CA)-(51 ALA C) -90.0 -40.0
 &rst     iat =   771,   773,   775,   781,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 52 MET PHI:  (51 ALA C)-(52 MET N)-(52 MET CA)-(52 MET C) -90.0 -40.0
 &rst     iat =   781,   783,   785,   798,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 53 LYS PHI:  (52 MET C)-(53 LYS N)-(53 LYS CA)-(53 LYS C) -90.0 -40.0
 &rst     iat =   798,   800,   802,   820,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 54 GLU PHI:  (53 LYS C)-(54 GLU N)-(54 GLU CA)-(54 GLU C) -90.0 -40.0
 &rst     iat =   820,   822,   824,   835,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 55 VAL PHI:  (54 GLU C)-(55 VAL N)-(55 VAL CA)-(55 VAL C) -150.0 -90.0
 &rst     iat =   835,   837,   839,   851,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 57 ILE PHI:  (56 GLY C)-(57 ILE N)-(57 ILE CA)-(57 ILE C) -150.0 -90.0
 &rst     iat =   858,   860,   862,   877,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 58 ASP PHI:  (57 ILE C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -160.0 -80.0
 &rst     iat =   877,   879,   881,   889,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 59 ILE PHI:  (58 ASP C)-(59 ILE N)-(59 ILE CA)-(59 ILE C) -160.0 -80.0
 &rst     iat =   889,   891,   893,   908,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 60 SER PHI:  (59 ILE C)-(60 SER N)-(60 SER CA)-(60 SER C) -90.0 -40.0
 &rst     iat =   908,   910,   912,   919,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 61 ASN PHI:  (60 SER C)-(61 ASN N)-(61 ASN CA)-(61 ASN C) -160.0 -80.0
 &rst     iat =   919,   921,   923,   933,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 62 GLN PHI:  (61 ASN C)-(62 GLN N)-(62 GLN CA)-(62 GLN C) -160.0 -80.0
 &rst     iat =   933,   935,   937,   950,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 63 THR PHI:  (62 GLN C)-(63 THR N)-(63 THR CA)-(63 THR C) -145.0 -95.0
 &rst     iat =   950,   952,   954,   964,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 64 SER PHI:  (63 THR C)-(64 SER N)-(64 SER CA)-(64 SER C) -160.0 -80.0
 &rst     iat =   964,   966,   968,   975,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 66 ILE PHI:  (65 ASP C)-(66 ILE N)-(66 ILE CA)-(66 ILE C) -145.0 -95.0
 &rst     iat =   987,   989,   991,  1006,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 67 ILE PHI:  (66 ILE C)-(67 ILE N)-(67 ILE CA)-(67 ILE C) -85.0 -45.0
 &rst     iat =  1006,  1008,  1010,  1025,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 68 ASP PHI:  (67 ILE C)-(68 ASP N)-(68 ASP CA)-(68 ASP C) -145.0 -95.0
 &rst     iat =  1025,  1027,  1029,  1037,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 69 SER PHI:  (68 ASP C)-(69 SER N)-(69 SER CA)-(69 SER C) -85.0 -45.0
 &rst     iat =  1037,  1039,  1041,  1048,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 72 LEU PHI:  (71 ILE C)-(72 LEU N)-(72 LEU CA)-(72 LEU C) -85.0 -45.0
 &rst     iat =  1079,  1081,  1083,  1098,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 74 ASN PHI:  (73 ASN C)-(74 ASN N)-(74 ASN CA)-(74 ASN C) -160.0 -80.0
 &rst     iat =  1112,  1114,  1116,  1126,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 75 ALA PHI:  (74 ASN C)-(75 ALA N)-(75 ALA CA)-(75 ALA C) -85.0 -45.0
 &rst     iat =  1126,  1128,  1130,  1136,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 76 ASP PHI:  (75 ALA C)-(76 ASP N)-(76 ASP CA)-(76 ASP C) -160.0 -80.0
 &rst     iat =  1136,  1138,  1140,  1148,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 77 LEU PHI:  (76 ASP C)-(77 LEU N)-(77 LEU CA)-(77 LEU C) -145.0 -95.0
 &rst     iat =  1148,  1150,  1152,  1167,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 78 VAL PHI:  (77 LEU C)-(78 VAL N)-(78 VAL CA)-(78 VAL C) -150.0 -90.0
 &rst     iat =  1167,  1169,  1171,  1183,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 79 VAL PHI:  (78 VAL C)-(79 VAL N)-(79 VAL CA)-(79 VAL C) -150.0 -90.0
 &rst     iat =  1183,  1185,  1187,  1199,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 80 THR PHI:  (79 VAL C)-(80 THR N)-(80 THR CA)-(80 THR C) -145.0 -95.0
 &rst     iat =  1199,  1201,  1203,  1213,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 87 ASP PHI:  (86 ALA C)-(87 ASP N)-(87 ASP CA)-(87 ASP C) -85.0 -45.0
 &rst     iat =  1282,  1284,  1286,  1294,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 88 LYS PHI:  (87 ASP C)-(88 LYS N)-(88 LYS CA)-(88 LYS C) -160.0 -80.0
 &rst     iat =  1294,  1296,  1298,  1316,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 98 ARG PHI:  (97 LYS C)-(98 ARG N)-(98 ARG CA)-(98 ARG C) -150.0 -90.0
 &rst     iat =  1455,  1457,  1459,  1479,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 103 PHE PHI:  (102 GLY C)-(103 PHE N)-(103 PHE CA)-(103 PHE C) -150.0 -90.0
 &rst     iat =  1542,  1544,  1546,  1562,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 104 ASP PHI:  (103 PHE C)-(104 ASP N)-(104 ASP CA)-(104 ASP C) -85.0 -45.0
 &rst     iat =  1562,  1564,  1566,  1574,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 108 ARG PHI:  (107 ALA C)-(108 ARG N)-(108 ARG CA)-(108 ARG C) -145.0 -95.0
 &rst     iat =  1610,  1612,  1614,  1634,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 109 ALA PHI:  (108 ARG C)-(109 ALA N)-(109 ALA CA)-(109 ALA C) -85.0 -45.0
 &rst     iat =  1634,  1636,  1638,  1644,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 113 GLU PHI:  (112 THR C)-(113 GLU N)-(113 GLU CA)-(113 GLU C) -90.0 -40.0
 &rst     iat =  1682,  1684,  1686,  1697,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 114 GLU PHI:  (113 GLU C)-(114 GLU N)-(114 GLU CA)-(114 GLU C) -90.0 -40.0
 &rst     iat =  1697,  1699,  1701,  1712,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 118 ALA PHI:  (117 TRP C)-(118 ALA N)-(118 ALA CA)-(118 ALA C) -85.0 -45.0
 &rst     iat =  1773,  1775,  1777,  1783,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 119 PHE PHI:  (118 ALA C)-(119 PHE N)-(119 PHE CA)-(119 PHE C) -85.0 -45.0
 &rst     iat =  1783,  1785,  1787,  1803,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 121 GLN PHI:  (120 PHE C)-(121 GLN N)-(121 GLN CA)-(121 GLN C) -85.0 -45.0
 &rst     iat =  1823,  1825,  1827,  1840,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 122 ARG PHI:  (121 GLN C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -90.0 -40.0
 &rst     iat =  1840,  1842,  1844,  1864,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 123 VAL PHI:  (122 ARG C)-(123 VAL N)-(123 VAL CA)-(123 VAL C) -90.0 -40.0
 &rst     iat =  1864,  1866,  1868,  1880,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 125 ASP PHI:  (124 ARG C)-(125 ASP N)-(125 ASP CA)-(125 ASP C) -90.0 -40.0
 &rst     iat =  1904,  1906,  1908,  1916,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 126 GLU PHI:  (125 ASP C)-(126 GLU N)-(126 GLU CA)-(126 GLU C) -90.0 -40.0
 &rst     iat =  1916,  1918,  1920,  1931,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 127 ILE PHI:  (126 GLU C)-(127 ILE N)-(127 ILE CA)-(127 ILE C) -90.0 -40.0
 &rst     iat =  1931,  1933,  1935,  1950,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 129 ASN PHI:  (128 GLY C)-(129 ASN N)-(129 ASN CA)-(129 ASN C) -90.0 -40.0
 &rst     iat =  1957,  1959,  1961,  1971,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 130 ARG PHI:  (129 ASN C)-(130 ARG N)-(130 ARG CA)-(130 ARG C) -90.0 -40.0
 &rst     iat =  1971,  1973,  1975,  1995,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 132 LYS PHI:  (131 LEU C)-(132 LYS N)-(132 LYS CA)-(132 LYS C) -85.0 -45.0
 &rst     iat =  2014,  2016,  2018,  2036,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 133 GLU PHI:  (132 LYS C)-(133 GLU N)-(133 GLU CA)-(133 GLU C) -90.0 -40.0
 &rst     iat =  2036,  2038,  2040,  2051,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 134 PHE PHI:  (133 GLU C)-(134 PHE N)-(134 PHE CA)-(134 PHE C) -90.0 -40.0
 &rst     iat =  2051,  2053,  2055,  2071,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 135 ALA PHI:  (134 PHE C)-(135 ALA N)-(135 ALA CA)-(135 ALA C) -90.0 -40.0
 &rst     iat =  2071,  2073,  2075,  2081,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 137 THR PHI:  (136 GLU C)-(137 THR N)-(137 THR CA)-(137 THR C) -145.0 -95.0
 &rst     iat =  2096,  2098,  2100,  2110,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

#
# 6 ILE HN 33 LYS+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 530, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 7 TYR HN 77 LEU O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 110,1168, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 8 PHE HN 35 TYR O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 567, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 9 LEU HN 79 VAL O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 151,1200, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 19 MET HN 15 CYS O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 236, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 20 ALA HN 16 ARG+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 260, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 21 GLU- HN 17 SER O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 271, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 22 GLY HN 18 GLN O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 288, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 23 TRP HN 19 MET O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 305, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 24 ALA HN 20 ALA O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 315, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 25 LYS+ HN 21 GLU- O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 330, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 32 TRP HN 29 GLY O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 457, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 33 LYS+ HN 4 LYS+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  70, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 35 TYR HN 6 ILE O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 108, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 37 ALA HN 8 PHE O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 149, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 49 VAL HN 45 ASN O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 696, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 50 LYS+ HN 46 PRO O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 710, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 51 ALA HN 47 ASN O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 724, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 52 MET HN 48 ALA O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 734, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 53 LYS+ HN 49 VAL O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 750, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 54 GLU- HN 50 LYS+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 772, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 75 ALA HN 72 LEU O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1099, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 76 ASP- HN 5 ILE O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  89, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 78 VAL HN 97 LYS+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1456, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 79 VAL HN 7 TYR O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1186, 129, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 80 THR HN 99 GLU- O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1495, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 81 LEU HN 9 LEU O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1216, 168, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 101 TRP HN 80 THR O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1214, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 120 PHE HN 116 LYS+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1750, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 121 GLN HN 117 TRP O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1774, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 122 ARG+ HN 118 ALA O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1784, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 123 VAL HN 119 PHE O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1867,1804, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 124 ARG+ HN 120 PHE O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1824, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 125 ASP- HN 121 GLN O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1907,1841, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 126 GLU- HN 122 ARG+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1865, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 127 ILE HN 123 VAL O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1881, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 128 GLY HN 124 ARG+ O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1905, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 129 ASN HN 125 ASP- O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1917, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 130 ARG+ HN 126 GLU- O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1932, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 131 LEU HN 127 ILE O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1998,1951, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 132 LYS+ HN 128 GLY O 1.5 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=2017,1958, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,  &end
#
# 6 ILE N 33 LYS+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 530, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 7 TYR N 77 LEU O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 109,1168, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 8 PHE N 35 TYR O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 567, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 9 LEU N 79 VAL O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 150,1200, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 19 MET N 15 CYS O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 236, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 20 ALA N 16 ARG+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 260, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 21 GLU- N 17 SER O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 271, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 22 GLY N 18 GLN O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 288, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 TRP N 19 MET O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 305, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 24 ALA N 20 ALA O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 315, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 25 LYS+ N 21 GLU- O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 330, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 32 TRP N 29 GLY O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 457, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 33 LYS+ N 4 LYS+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 509,  70, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 35 TYR N 6 ILE O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 108, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 37 ALA N 8 PHE O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 149, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 49 VAL N 45 ASN O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 696, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 50 LYS+ N 46 PRO O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 710, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 51 ALA N 47 ASN O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 724, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 52 MET N 48 ALA O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 734, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 53 LYS+ N 49 VAL O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 750, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 54 GLU- N 50 LYS+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 772, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 75 ALA N 72 LEU O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1099, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 76 ASP- N 5 ILE O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  89, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 78 VAL N 97 LYS+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1456, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 79 VAL N 7 TYR O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1185, 129, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 80 THR N 99 GLU- O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1495, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 81 LEU N 9 LEU O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1215, 168, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 101 TRP N 80 THR O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1214, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 120 PHE N 116 LYS+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1750, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 121 GLN N 117 TRP O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1825,1774, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 122 ARG+ N 118 ALA O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1842,1784, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 123 VAL N 119 PHE O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1866,1804, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 124 ARG+ N 120 PHE O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1882,1824, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 125 ASP- N 121 GLN O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1906,1841, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 126 GLU- N 122 ARG+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1865, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 127 ILE N 123 VAL O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1933,1881, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 128 GLY N 124 ARG+ O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1952,1905, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 129 ASN N 125 ASP- O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1917, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 130 ARG+ N 126 GLU- O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1973,1932, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 131 LEU N 127 ILE O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1997,1951, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 132 LYS+ N 128 GLY O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=2016,1958, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 10 CYS HA 10 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 10 CYS HA 10 CYS QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 174, 175,
 &end
#
# 10 CYS HA 11 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 10 CYS HA 12 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 CYS HA 81 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10 CYS HA 82 CYS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 CYS HA 85 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1269,1270,1271,
 &end
#
# 10 CYS HA 88 LYS+ QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1301,1302,
 &end
#
# 10 CYS QB 10 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 174, 175,
 &end
#
# 17 SER QB 10 CYS HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 266, 267,
 &end
#
# 10 CYS HN 37 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 CYS HN 38 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10 CYS HN 38 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
# 85 ALA QB 10 CYS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1269,1270,1271,
 &end
#
# 10 CYS HN 9 LEU HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 9 LEU HG 10 CYS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 CYS HN 9 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10 CYS HN 9 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 155, 156,
 &end
#
# 9 LEU QQD 10 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 160, 161, 162, 164, 165, 166,
 &end
#
# 10 CYS QB 11 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 174, 175,
 &end
#
# 10 CYS QB 12 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 174, 175,
 &end
#
# 10 CYS QB 17 SER HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 175,
 &end
#
# 10 CYS QB 17 SER QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 174, 175,
 igr2= 266, 267,
 &end
#
# 81 LEU QB 10 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1220,1221,
 igr2= 174, 175,
 &end
#
# 81 LEU QQD 10 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2= 174, 175,
 &end
#
# 100 HIS HN 100 HIS HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 100 HIS QB 100 HIS HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1501,1502,
 &end
#
# 101 TRP HN 100 HIS HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1499, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 VAL QQG 100 HIS HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 80 THR HN 100 HIS HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 THR QG2 100 HIS HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1208,1209,1210,
 &end
#
# 100 HIS HA 81 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1499,1216, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 86 ALA QB 100 HIS HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1279,1280,1281,
 &end
#
# 100 HIS QB 100 HIS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1501,1502,
 &end
#
# 101 TRP HD1 100 HIS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 HIS HN 101 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 100 HIS HN 101 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1514, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 VAL QQG 100 HIS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 100 HIS HN 99 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1484, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 99 GLU- HN 100 HIS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1497, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 GLU- QB 100 HIS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1486,1487,
 &end
#
# 100 HIS QB 101 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1501,1502,
 &end
#
# 100 HIS QB 86 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1501,1502,
 igr2=1279,1280,1281,
 &end
#
# 101 TRP HD1 101 TRP HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 TRP HA 101 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1524, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 101 TRP HN 101 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1516, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 101 TRP QB 101 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1518,1519,
 &end
#
# 102 GLY HN 101 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1538,1516, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 PHE QE 101 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1555,1559,
 &end
#
# 101 TRP HD1 101 TRP HE1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1524, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 101 TRP HD1 101 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1514, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 TRP HD1 102 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 TRP HD1 79 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 TRP HD1 81 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 101 TRP HH2 101 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1529,1524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 TRP HZ2 101 TRP HE1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 101 TRP HZ3 101 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1531,1524, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 77 LEU QQD 101 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1160,1161,1162,1164,1165,1166,
 &end
#
# 79 VAL QQG 101 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 101 TRP HE1 99 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1486,1487,
 &end
#
# 101 TRP HE1 99 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
# 101 TRP HH2 134 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1529,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 TRP HH2 134 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2058,2059,
 &end
#
# 101 TRP HN 101 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1518,1519,
 &end
#
# 101 TRP HN 102 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 PHE QE 101 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1555,1559,
 &end
#
# 79 VAL HA 101 TRP HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1514, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 79 VAL QQG 101 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 101 TRP HN 80 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 TRP HN 81 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 TRP HN 81 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 101 TRP HZ2 134 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1527,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 TRP HZ2 81 LEU QQD 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 101 TRP QB 102 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1518,1519,
 &end
#
# 101 TRP QB 81 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1518,1519,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 102 GLY HN 102 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1540,1541,
 &end
#
# 102 GLY HN 103 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1538,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 PHE HZ 102 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 PHE QE 102 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1555,1559,
 &end
#
# 79 VAL QQG 102 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 102 GLY HN 81 LEU HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1538,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 GLY HN 81 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 102 GLY QA 103 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1540,1541,
 &end
#
# 81 LEU HA 102 GLY QA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1540,1541,
 &end
#
# 82 CYS HN 102 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1540,1541,
 &end
#
# 102 GLY QA 86 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1540,1541,
 igr2=1279,1280,1281,
 &end
#
# 103 PHE HA 103 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 PHE HA 103 PHE QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1549,1550,
 &end
#
# 103 PHE HA 104 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1565, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 PHE QB 103 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1549,1550,
 &end
#
# 104 ASP- HN 103 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 123 VAL QQG 103 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
# 81 LEU HA 103 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LEU QQD 103 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 103 PHE HZ 127 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 PHE HZ 130 ARG+ QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1978,1979,
 &end
#
# 104 ASP- HN 103 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1549,1550,
 &end
#
# 103 PHE QB 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1549,1550,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 103 PHE QB 127 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1549,1550,
 igr2=1947,1948,1949,
 &end
#
# 103 PHE QE 104 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1555,1559,
 &end
#
# 103 PHE QE 123 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1555,1559,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 103 PHE QE 126 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1555,1559,
 &end
#
# 103 PHE QE 126 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1555,1559,
 &end
#
# 103 PHE QE 126 GLU- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1555,1559,
 igr2=1923,1924,
 &end
#
# 103 PHE QE 127 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1555,1559,
 &end
#
# 103 PHE QE 127 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1555,1559,
 &end
#
# 103 PHE QE 130 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1555,1559,
 &end
#
# 104 ASP- HN 104 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 ASP- HA 104 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1569,1570,
 &end
#
# 105 ASP- HN 104 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1577,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 ASP- HA 106 PRO HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 104 ASP- HN 104 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1569,1570,
 &end
#
# 105 ASP- HN 104 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1577,1565, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 104 ASP- HN 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 105 ASP- HN 104 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1577,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1569,1570,
 &end
#
# 104 ASP- QB 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1569,1570,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 105 ASP- HN 105 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1577,1579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 105 ASP- HA 105 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1579,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1581,1582,
 &end
#
# 106 PRO QD 105 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1579, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1590,1591,
 &end
#
# 107 ALA HN 105 ASP- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 ASP- HA 108 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 105 ASP- HA 109 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1579,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1641,1642,1643,
 &end
#
# 16 ARG+ QG 105 ASP- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 245, 246,
 &end
#
# 105 ASP- HN 105 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1577,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1581,1582,
 &end
#
# 106 PRO QD 105 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1577, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1590,1591,
 &end
#
# 108 ARG+ HN 105 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1577, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 105 ASP- QB 108 ARG+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1581,1582,
 igr2=1623,1624,
 &end
#
# 119 PHE QE 105 ASP- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1796,1800,
 igr2=1581,1582,
 &end
#
# 106 PRO HA 106 PRO QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1596,1597,
 &end
#
# 106 PRO QG 106 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1593,1594,
 &end
#
# 107 ALA HN 106 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 PRO HA 108 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1599,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 PRO HA 109 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1599,1637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 106 PRO HA 109 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1641,1642,1643,
 &end
#
# 119 PHE QB 106 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1790,1791,
 &end
#
# 106 PRO QD 106 PRO QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1590,1591,
 igr2=1596,1597,
 &end
#
# 106 PRO QG 106 PRO QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1593,1594,
 igr2=1596,1597,
 &end
#
# 106 PRO QB 107 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1596,1597,
 &end
#
# 106 PRO QB 109 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1596,1597,
 igr2=1641,1642,1643,
 &end
#
# 106 PRO QB 120 PHE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1596,1597,
 &end
#
# 106 PRO QB 120 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1596,1597,
 &end
#
# 106 PRO QB 123 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1596,1597,
 &end
#
# 106 PRO QB 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1596,1597,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 106 PRO QD 106 PRO QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1590,1591,
 igr2=1593,1594,
 &end
#
# 107 ALA HN 106 PRO QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1590,1591,
 &end
#
# 106 PRO QD 123 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1590,1591,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 106 PRO QD 47 ASN QD2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1590,1591,
 igr2= 721, 722,
 &end
#
# 106 PRO QG 107 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1593,1594,
 &end
#
# 106 PRO QG 108 ARG+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1593,1594,
 igr2=1623,1624,
 &end
#
# 106 PRO QG 120 PHE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1593,1594,
 &end
#
# 106 PRO QG 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1593,1594,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 106 PRO QG 127 ILE QG1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1593,1594,
 igr2=1944,1945,
 &end
#
# 107 ALA HN 107 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1605, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 107 ALA HA 107 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1607,1608,1609,
 &end
#
# 108 ARG+ HN 107 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1605, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 109 ALA HN 107 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 116 LYS+ QG 107 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1605, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1737,1738,
 &end
#
# 107 ALA HA 45 ASN QD2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 693, 694,
 &end
#
# 107 ALA HN 107 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1607,1608,1609,
 &end
#
# 108 ARG+ HA 107 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1615,1603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 107 ALA HN 108 ARG+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1613, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 107 ALA HN 109 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 109 ALA QB 107 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1641,1642,1643,
 &end
#
# 47 ASN QB 107 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 716, 717,
 &end
#
# 108 ARG+ HN 107 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1607,1608,1609,
 &end
#
# 108 ARG+ QD 107 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1623,1624,
 igr2=1607,1608,1609,
 &end
#
# 109 ALA HN 107 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1607,1608,1609,
 &end
#
# 109 ALA QB 107 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1641,1642,1643,
 igr2=1607,1608,1609,
 &end
#
# 45 ASN QD2 107 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 693, 694,
 igr2=1607,1608,1609,
 &end
#
# 47 ASN QD2 107 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 721, 722,
 igr2=1607,1608,1609,
 &end
#
# 108 ARG+ HN 108 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 108 ARG+ HA 108 ARG+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1617,1618,
 &end
#
# 108 ARG+ QD 108 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1623,1624,
 &end
#
# 108 ARG+ HA 108 ARG+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1620,1621,
 &end
#
# 109 ALA HN 108 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 108 ARG+ HA 110 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1659,1660,
 &end
#
# 108 ARG+ HN 108 ARG+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1617,1618,
 &end
#
# 108 ARG+ HN 108 ARG+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1623,1624,
 &end
#
# 108 ARG+ HN 108 ARG+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1620,1621,
 &end
#
# 109 ALA HA 108 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 108 ARG+ HN 109 ALA HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1637, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 116 LYS+ QE 108 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1743,1744,
 &end
#
# 108 ARG+ QB 108 ARG+ QD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1617,1618,
 igr2=1623,1624,
 &end
#
# 108 ARG+ QB 108 ARG+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1617,1618,
 igr2=1620,1621,
 &end
#
# 109 ALA HN 108 ARG+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1617,1618,
 &end
#
# 108 ARG+ QD 108 ARG+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1623,1624,
 igr2=1620,1621,
 &end
#
# 108 ARG+ QD 109 ALA HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1623,1624,
 &end
#
# 109 ALA HN 108 ARG+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1623,1624,
 &end
#
# 109 ALA HN 109 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 109 ALA HA 109 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1641,1642,1643,
 &end
#
# 110 GLN HN 109 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 109 ALA HA 110 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1654,1655,
 &end
#
# 109 ALA HN 109 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1641,1642,1643,
 &end
#
# 109 ALA HN 110 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 116 LYS+ QE 109 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1743,1744,
 &end
#
# 116 LYS+ QG 109 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1737,1738,
 &end
#
# 109 ALA QB 110 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1641,1642,1643,
 &end
#
# 109 ALA QB 110 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,1643,
 igr2=1654,1655,
 &end
#
# 109 ALA QB 116 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1641,1642,1643,
 &end
#
# 109 ALA QB 116 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1641,1642,1643,
 &end
#
# 116 LYS+ QB 109 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1734,1735,
 igr2=1641,1642,1643,
 &end
#
# 109 ALA QB 116 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1641,1642,1643,
 igr2=1740,1741,
 &end
#
# 109 ALA QB 116 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,1643,
 igr2=1743,1744,
 &end
#
# 116 LYS+ QG 109 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1737,1738,
 igr2=1641,1642,1643,
 &end
#
# 109 ALA QB 117 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1641,1642,1643,
 &end
#
# 109 ALA QB 119 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1641,1642,1643,
 &end
#
# 119 PHE QB 109 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1790,1791,
 igr2=1641,1642,1643,
 &end
#
# 109 ALA QB 120 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1806, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1641,1642,1643,
 &end
#
# 11 THR HA 11 THR HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 11 THR HA 11 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 11 THR HA 11 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 187, 188, 189,
 &end
#
# 11 THR HA 12 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 THR HA 39 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 39 ILE HN 11 THR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 THR HA 39 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 610, 611, 612,
 &end
#
# 11 THR HA 39 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 607, 608,
 &end
#
# 11 THR HA 39 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 603, 604, 605,
 &end
#
# 11 THR HA 40 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 82 CYS QB 11 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1239,1240,
 &end
#
# 85 ALA QB 11 THR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1269,1270,1271,
 &end
#
# 11 THR HB 11 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 11 THR HB 11 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 187, 188, 189,
 &end
#
# 11 THR HB 12 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 ILE QD1 11 THR HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 610, 611, 612,
 &end
#
# 39 ILE QG1 11 THR HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 607, 608,
 &end
#
# 11 THR QG2 11 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 187, 188, 189,
 &end
#
# 12 GLY HN 11 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 12 GLY QA 11 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 197, 198,
 &end
#
# 82 CYS QB 11 THR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1239,1240,
 &end
#
# 85 ALA QB 11 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1269,1270,1271,
 &end
#
# 12 GLY HN 11 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 187, 188, 189,
 &end
#
# 12 GLY QA 11 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198,
 igr2= 187, 188, 189,
 &end
#
# 39 ILE QD1 11 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 610, 611, 612,
 igr2= 187, 188, 189,
 &end
#
# 11 THR QG2 40 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 187, 188, 189,
 &end
#
# 88 LYS+ HN 11 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 187, 188, 189,
 &end
#
# 110 GLN HN 110 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 110 GLN HA 110 GLN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1649,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1651,1652,
 &end
#
# 110 GLN HA 110 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1649,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1659,1660,
 &end
#
# 110 GLN HA 110 GLN QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1649,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
# 111 GLY HN 110 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1664,1649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 110 GLN HA 112 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1649,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 110 GLN HA 112 THR QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1649,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1677,1678,1679,
 &end
#
# 113 GLU- HA 110 GLN HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 110 GLN HA 116 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1649,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1740,1741,
 &end
#
# 116 LYS+ QE 110 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1743,1744,
 &end
#
# 116 LYS+ QG 110 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1737,1738,
 &end
#
# 110 GLN HA 117 TRP HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1649,1752, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 110 GLN HN 110 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1651,1652,
 &end
#
# 110 GLN HN 110 GLN QE2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1659,1660,
 &end
#
# 110 GLN QG 110 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
# 111 GLY QA 110 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1666,1667,
 &end
#
# 116 LYS+ QG 110 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1737,1738,
 &end
#
# 119 PHE QB 110 GLN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1790,1791,
 &end
#
# 110 GLN QB 110 GLN QE2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1651,1652,
 igr2=1659,1660,
 &end
#
# 110 GLN QB 110 GLN QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1651,1652,
 igr2=1654,1655,
 &end
#
# 111 GLY HN 110 GLN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1651,1652,
 &end
#
# 110 GLN QG 110 GLN QE2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1654,1655,
 igr2=1659,1660,
 &end
#
# 110 GLN QG 111 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1654,1655,
 &end
#
# 110 GLN QG 112 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1654,1655,
 &end
#
# 111 GLY HN 111 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1666,1667,
 &end
#
# 112 THR HA 111 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 111 GLY HN 112 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1664,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 GLY HN 116 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1743,1744,
 &end
#
# 112 THR HN 111 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1666,1667,
 &end
#
# 111 GLY QA 112 THR QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1666,1667,
 igr2=1677,1678,1679,
 &end
#
# 111 GLY QA 115 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1666,1667,
 &end
#
# 111 GLY QA 115 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1666,1667,
 igr2=1719,1720,
 &end
#
# 115 GLU- QG 111 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1722,1723,
 igr2=1666,1667,
 &end
#
# 112 THR HB 112 THR HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 112 THR HA 112 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 112 THR HA 112 THR QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1677,1678,1679,
 &end
#
# 113 GLU- HN 112 THR HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 112 THR HA 114 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 115 GLU- HA 112 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 115 GLU- HN 112 THR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 115 GLU- QB 112 THR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1719,1720,
 &end
#
# 112 THR HB 112 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1677,1678,1679,
 &end
#
# 112 THR HN 112 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1677,1678,1679,
 &end
#
# 113 GLU- HN 112 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 115 GLU- HA 112 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 115 GLU- HN 112 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 112 THR HN 115 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1719,1720,
 &end
#
# 112 THR HN 115 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1722,1723,
 &end
#
# 116 LYS+ HA 112 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1732,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 116 LYS+ HN 112 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS+ QB 112 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1734,1735,
 &end
#
# 116 LYS+ QG 112 THR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1737,1738,
 &end
#
# 113 GLU- HA 112 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1677,1678,1679,
 &end
#
# 113 GLU- HN 112 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1677,1678,1679,
 &end
#
# 115 GLU- HA 112 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1677,1678,1679,
 &end
#
# 115 GLU- HN 112 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1677,1678,1679,
 &end
#
# 112 THR QG2 115 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1677,1678,1679,
 igr2=1719,1720,
 &end
#
# 113 GLU- HA 113 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 113 GLU- HA 113 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1689,1690,
 &end
#
# 113 GLU- HA 113 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1692,1693,
 &end
#
# 113 GLU- HA 114 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 113 GLU- HA 115 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 113 GLU- HA 115 GLU- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1719,1720,
 &end
#
# 113 GLU- HA 116 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1734,1735,
 &end
#
# 113 GLU- HA 116 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1740,1741,
 &end
#
# 113 GLU- HA 116 LYS+ QE 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1743,1744,
 &end
#
# 117 TRP HN 113 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 113 GLU- QB 113 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1689,1690,
 &end
#
# 113 GLU- QG 113 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
# 113 GLU- HN 114 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 113 GLU- HN 115 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 116 LYS+ QB 113 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1734,1735,
 &end
#
# 114 GLU- HA 113 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1692,1693,
 &end
#
# 114 GLU- HN 113 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1692,1693,
 &end
#
# 116 LYS+ QD 113 GLU- QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1740,1741,
 igr2=1692,1693,
 &end
#
# 116 LYS+ QG 113 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1737,1738,
 igr2=1692,1693,
 &end
#
# 114 GLU- HN 114 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 114 GLU- HA 114 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1704,1705,
 &end
#
# 114 GLU- HA 114 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1707,1708,
 &end
#
# 114 GLU- HA 115 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1715, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 114 GLU- HA 116 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 TRP HD1 114 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 TRP HN 114 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 114 GLU- HA 117 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1756,1757,
 &end
#
# 114 GLU- HA 118 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1780,1781,1782,
 &end
#
# 114 GLU- HN 114 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1704,1705,
 &end
#
# 114 GLU- HN 114 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1707,1708,
 &end
#
# 115 GLU- HA 114 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 115 GLU- HN 114 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1700, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 116 LYS+ QB 114 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1734,1735,
 &end
#
# 117 TRP HN 114 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 TRP QB 114 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1756,1757,
 &end
#
# 118 ALA HN 114 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1700, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 114 GLU- QG 114 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1707,1708,
 igr2=1704,1705,
 &end
#
# 115 GLU- HN 114 GLU- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1704,1705,
 &end
#
# 115 GLU- HN 114 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1707,1708,
 &end
#
# 118 ALA QB 114 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1780,1781,1782,
 igr2=1707,1708,
 &end
#
# 115 GLU- HA 115 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 115 GLU- HA 115 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1719,1720,
 &end
#
# 115 GLU- HA 115 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1722,1723,
 &end
#
# 115 GLU- HA 116 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 116 LYS+ QG 115 GLU- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1717, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1737,1738,
 &end
#
# 117 TRP HN 115 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 115 GLU- HA 118 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 115 GLU- HA 118 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1780,1781,1782,
 &end
#
# 115 GLU- HA 119 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1717,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 115 GLU- HN 115 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1719,1720,
 &end
#
# 115 GLU- HN 116 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1730, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 117 TRP HN 115 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 PHE QB 115 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1715, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1790,1791,
 &end
#
# 115 GLU- QB 115 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1719,1720,
 igr2=1722,1723,
 &end
#
# 116 LYS+ HN 115 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1719,1720,
 &end
#
# 115 GLU- QG 116 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1722,1723,
 &end
#
# 115 GLU- QG 118 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1722,1723,
 &end
#
# 115 GLU- QG 119 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1722,1723,
 &end
#
# 116 LYS+ HN 116 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1732, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 116 LYS+ QB 116 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1734,1735,
 &end
#
# 116 LYS+ QD 116 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1740,1741,
 &end
#
# 116 LYS+ QE 116 LYS+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1743,1744,
 &end
#
# 116 LYS+ HA 116 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1737,1738,
 &end
#
# 116 LYS+ HA 117 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1732,1752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS+ HA 118 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1732,1776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 119 PHE HN 116 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 PHE QB 116 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1790,1791,
 &end
#
# 120 PHE HN 116 LYS+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 116 LYS+ HN 116 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1734,1735,
 &end
#
# 116 LYS+ HN 116 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1740,1741,
 &end
#
# 116 LYS+ HN 116 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1743,1744,
 &end
#
# 116 LYS+ QG 116 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1737,1738,
 &end
#
# 116 LYS+ HN 117 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS+ HN 118 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 116 LYS+ HN 119 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1786, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 119 PHE QB 116 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1790,1791,
 &end
#
# 116 LYS+ QB 116 LYS+ QD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1734,1735,
 igr2=1740,1741,
 &end
#
# 116 LYS+ QB 116 LYS+ QE 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1734,1735,
 igr2=1743,1744,
 &end
#
# 116 LYS+ QB 116 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1734,1735,
 igr2=1737,1738,
 &end
#
# 116 LYS+ QB 117 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1734,1735,
 &end
#
# 116 LYS+ QB 118 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1734,1735,
 &end
#
# 116 LYS+ QD 116 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1740,1741,
 igr2=1743,1744,
 &end
#
# 116 LYS+ QD 116 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1740,1741,
 igr2=1737,1738,
 &end
#
# 116 LYS+ QD 117 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1740,1741,
 &end
#
# 116 LYS+ QD 119 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1740,1741,
 &end
#
# 116 LYS+ QE 116 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1743,1744,
 igr2=1737,1738,
 &end
#
# 116 LYS+ QE 119 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1743,1744,
 &end
#
# 116 LYS+ QG 117 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1737,1738,
 &end
#
# 116 LYS+ QG 118 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1737,1738,
 &end
#
# 116 LYS+ QG 119 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1737,1738,
 &end
#
# 117 TRP HN 117 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 117 TRP HA 117 TRP QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1754,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1756,1757,
 &end
#
# 118 ALA HN 117 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 117 TRP HA 119 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 117 TRP HA 120 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 120 PHE QB 117 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1810,1811,
 &end
#
# 120 PHE QE 117 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1816,1820,
 &end
#
# 117 TRP HA 121 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 TRP HA 47 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1754,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 721, 722,
 &end
#
# 50 LYS+ QD 117 TRP HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 762, 763,
 &end
#
# 117 TRP HD1 117 TRP HE1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 117 TRP HD1 118 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 117 TRP HD1 118 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1780,1781,1782,
 &end
#
# 117 TRP HD1 120 PHE QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1810,1811,
 &end
#
# 117 TRP HD1 121 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1838,1839,
 &end
#
# 117 TRP HZ2 117 TRP HE1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1765,1762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 117 TRP QB 117 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1762, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1756,1757,
 &end
#
# 118 ALA HA 117 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1762, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 117 TRP HE1 121 GLN QE2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1838,1839,
 &end
#
# 121 GLN QG 117 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1762, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1833,1834,
 &end
#
# 54 GLU- QB 117 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 827, 828,
 &end
#
# 54 GLU- QG 117 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1762, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 830, 831,
 &end
#
# 117 TRP HH2 50 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 762, 763,
 &end
#
# 117 TRP HN 117 TRP QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1756,1757,
 &end
#
# 117 TRP HN 118 ALA HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1776, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 117 TRP HN 119 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 117 TRP HZ2 121 GLN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1765,1826, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 117 TRP HZ2 121 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1838,1839,
 &end
#
# 117 TRP HZ2 51 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1765, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 TRP HZ2 54 GLU- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1765, 825, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 117 TRP HZ2 54 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 827, 828,
 &end
#
# 117 TRP HZ2 54 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 830, 831,
 &end
#
# 118 ALA HN 117 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1756,1757,
 &end
#
# 117 TRP QB 118 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1756,1757,
 igr2=1780,1781,1782,
 &end
#
# 117 TRP QB 119 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1756,1757,
 &end
#
# 120 PHE QE 117 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1816,1820,
 igr2=1756,1757,
 &end
#
# 118 ALA HN 118 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1778, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 118 ALA HA 118 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1780,1781,1782,
 &end
#
# 118 ALA HA 119 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 118 ALA HA 120 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 118 ALA HA 121 GLN HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 118 ALA HA 121 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 118 ALA HA 121 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1830,1831,
 &end
#
# 118 ALA HA 121 GLN QE2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1838,1839,
 &end
#
# 118 ALA HA 121 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1833,1834,
 &end
#
# 118 ALA HA 122 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 118 ALA HN 118 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1780,1781,1782,
 &end
#
# 118 ALA HN 119 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 120 PHE HN 118 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 GLN QB 118 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1830,1831,
 &end
#
# 122 ARG+ QD 118 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1776, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1853,1854,
 &end
#
# 119 PHE HN 118 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1780,1781,1782,
 &end
#
# 119 PHE QB 118 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1790,1791,
 igr2=1780,1781,1782,
 &end
#
# 122 ARG+ HA 118 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1845,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1780,1781,1782,
 &end
#
# 119 PHE HA 119 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 119 PHE HA 120 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 122 ARG+ HA 119 PHE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 122 ARG+ HN 119 PHE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1788, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 119 PHE HA 122 ARG+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1847,1848,
 &end
#
# 119 PHE HA 123 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 PHE HA 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 119 PHE QB 119 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1790,1791,
 &end
#
# 119 PHE QE 119 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1796,1800,
 &end
#
# 120 PHE HA 119 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 120 PHE HN 119 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 121 GLN HA 119 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1828,1786, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 119 PHE HN 121 GLN QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1830,1831,
 &end
#
# 122 ARG+ QB 119 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1847,1848,
 &end
#
# 119 PHE QB 120 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1790,1791,
 &end
#
# 12 GLY QA 12 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 197, 198,
 &end
#
# 12 GLY HN 13 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 38 GLY QA 12 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 592, 593,
 &end
#
# 12 GLY HN 39 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 GLY HN 40 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13 ASN HN 12 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 197, 198,
 &end
#
# 12 GLY QA 38 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 197, 198,
 igr2= 592, 593,
 &end
#
# 12 GLY QA 39 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 197, 198,
 &end
#
# 12 GLY QA 40 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 197, 198,
 &end
#
# 40 GLU- QB 12 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 620, 621,
 igr2= 197, 198,
 &end
#
# 12 GLY QA 67 ILE QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 197, 198,
 igr2=1015,1016,1017,
 &end
#
# 120 PHE HA 120 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 120 PHE HA 120 PHE QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1810,1811,
 &end
#
# 120 PHE HA 121 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 120 PHE HA 122 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 120 PHE HA 123 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 120 PHE HA 124 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 47 ASN QD2 120 PHE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 721, 722,
 &end
#
# 120 PHE HN 120 PHE QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1806,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1810,1811,
 &end
#
# 120 PHE QE 120 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1816,1820,
 &end
#
# 47 ASN QB 120 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1806, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 716, 717,
 &end
#
# 120 PHE HZ 120 PHE QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1818,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1810,1811,
 &end
#
# 120 PHE QE 120 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1816,1820,
 igr2=1810,1811,
 &end
#
# 121 GLN HN 120 PHE QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1810,1811,
 &end
#
# 120 PHE QB 124 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1810,1811,
 &end
#
# 120 PHE QB 51 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1810,1811,
 igr2= 778, 779, 780,
 &end
#
# 121 GLN HN 121 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1828, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 121 GLN QB 121 GLN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1828, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1830,1831,
 &end
#
# 121 GLN QE2 121 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1828, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1838,1839,
 &end
#
# 121 GLN HA 121 GLN QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1828,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1833,1834,
 &end
#
# 122 ARG+ HN 121 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1828, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 124 ARG+ HN 121 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 GLN HA 124 ARG+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1828,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1887,1888,
 &end
#
# 125 ASP- HN 121 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1907,1828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TRP HZ2 121 GLN HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352,1828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 121 GLN QB 121 GLN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1830,1831,
 &end
#
# 121 GLN QE2 121 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1838,1839,
 &end
#
# 121 GLN HN 121 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1833,1834,
 &end
#
# 121 GLN HN 122 ARG+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 121 GLN QB 121 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1830,1831,
 igr2=1838,1839,
 &end
#
# 121 GLN QB 121 GLN QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1830,1831,
 igr2=1833,1834,
 &end
#
# 122 ARG+ HN 121 GLN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1830,1831,
 &end
#
# 122 ARG+ QD 121 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1853,1854,
 igr2=1830,1831,
 &end
#
# 121 GLN QB 122 ARG+ QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1830,1831,
 igr2=1850,1851,
 &end
#
# 121 GLN QB 123 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1830,1831,
 &end
#
# 125 ASP- QB 121 GLN QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1911,1912,
 igr2=1830,1831,
 &end
#
# 121 GLN QE2 121 GLN QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1838,1839,
 igr2=1833,1834,
 &end
#
# 121 GLN QE2 124 ARG+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1838,1839,
 igr2=1893,1894,
 &end
#
# 121 GLN QE2 51 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1838,1839,
 &end
#
# 121 GLN QE2 51 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1838,1839,
 igr2= 778, 779, 780,
 &end
#
# 121 GLN QE2 54 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1838,1839,
 &end
#
# 121 GLN QE2 54 GLU- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1838,1839,
 igr2= 827, 828,
 &end
#
# 121 GLN QE2 55 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1838,1839,
 &end
#
# 121 GLN QE2 55 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1838,1839,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 122 ARG+ HN 122 ARG+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1845, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 122 ARG+ QB 122 ARG+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1845, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1847,1848,
 &end
#
# 122 ARG+ QD 122 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1845, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1853,1854,
 &end
#
# 122 ARG+ HA 122 ARG+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1845,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1850,1851,
 &end
#
# 122 ARG+ HA 123 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1845,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- HN 122 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1907,1845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 122 ARG+ HA 125 ASP- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1911,1912,
 &end
#
# 122 ARG+ QB 122 ARG+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1847,1848,
 &end
#
# 122 ARG+ QD 122 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1853,1854,
 &end
#
# 122 ARG+ HN 122 ARG+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1850,1851,
 &end
#
# 123 VAL HA 122 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 123 VAL QQG 122 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
# 122 ARG+ HN 125 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 122 ARG+ QB 122 ARG+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1847,1848,
 igr2=1853,1854,
 &end
#
# 123 VAL HN 122 ARG+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1847,1848,
 &end
#
# 122 ARG+ QD 122 ARG+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1853,1854,
 igr2=1850,1851,
 &end
#
# 122 ARG+ QD 123 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1853,1854,
 &end
#
# 122 ARG+ QG 123 VAL HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1869, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1850,1851,
 &end
#
# 122 ARG+ QG 123 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1867, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1850,1851,
 &end
#
# 122 ARG+ QG 126 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1850,1851,
 &end
#
# 122 ARG+ QG 126 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1850,1851,
 igr2=1926,1927,
 &end
#
# 123 VAL HA 123 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 123 VAL HN 123 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1867,1869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 123 VAL HA 123 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 123 VAL HA 124 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 123 VAL HA 125 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 126 GLU- HA 123 VAL HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1921,1869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 126 GLU- HN 123 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 126 GLU- QB 123 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1869, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1923,1924,
 &end
#
# 123 VAL HA 126 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1926,1927,
 &end
#
# 123 VAL HA 127 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 123 VAL HN 123 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1867,1871, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 123 VAL HB 123 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 123 VAL HN 123 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 125 ASP- HN 123 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1907,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 GLU- HN 123 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 VAL QQG 124 ARG+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
# 123 VAL QQG 126 GLU- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
# 123 VAL QQG 126 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
# 123 VAL QQG 127 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1947,1948,1949,
 &end
#
# 127 ILE QG1 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1944,1945,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 16 ARG+ HN 123 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 16 ARG+ QG 123 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 246,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
# 124 ARG+ HN 124 ARG+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1885, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 124 ARG+ QB 124 ARG+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1887,1888,
 &end
#
# 124 ARG+ QG 124 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1890,1891,
 &end
#
# 124 ARG+ HA 125 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 127 ILE HB 124 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1938,1885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 124 ARG+ HA 127 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1947,1948,1949,
 &end
#
# 128 GLY HN 124 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 MET QB 124 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 294, 295,
 &end
#
# 23 TRP HE1 124 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 124 ARG+ HA 51 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 778, 779, 780,
 &end
#
# 124 ARG+ QB 124 ARG+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1887,1888,
 &end
#
# 124 ARG+ QG 124 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1890,1891,
 &end
#
# 124 ARG+ HN 125 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 126 GLU- HN 124 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 MET QB 124 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 294, 295,
 &end
#
# 23 TRP HE1 124 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23 TRP HZ2 124 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352,1883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 47 ASN QD2 124 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 721, 722,
 &end
#
# 51 ALA QB 124 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 778, 779, 780,
 &end
#
# 124 ARG+ QB 124 ARG+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1887,1888,
 igr2=1893,1894,
 &end
#
# 124 ARG+ QB 124 ARG+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1887,1888,
 igr2=1890,1891,
 &end
#
# 124 ARG+ QB 125 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1887,1888,
 &end
#
# 124 ARG+ QB 126 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1887,1888,
 &end
#
# 124 ARG+ QB 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1887,1888,
 &end
#
# 124 ARG+ QB 51 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1887,1888,
 igr2= 778, 779, 780,
 &end
#
# 52 MET QE 124 ARG+ QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 795, 796, 797,
 igr2=1887,1888,
 &end
#
# 124 ARG+ QB 55 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1887,1888,
 &end
#
# 124 ARG+ QD 124 ARG+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1893,1894,
 igr2=1890,1891,
 &end
#
# 23 TRP HZ2 124 ARG+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1893,1894,
 &end
#
# 124 ARG+ QD 51 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1893,1894,
 igr2= 778, 779, 780,
 &end
#
# 52 MET HA 124 ARG+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1893,1894,
 &end
#
# 124 ARG+ QD 55 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1893,1894,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 124 ARG+ QG 125 ASP- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1890,1891,
 &end
#
# 124 ARG+ QG 125 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1890,1891,
 &end
#
# 124 ARG+ QG 128 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1890,1891,
 &end
#
# 124 ARG+ QG 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1890,1891,
 &end
#
# 23 TRP HH2 124 ARG+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1890,1891,
 &end
#
# 23 TRP HZ2 124 ARG+ QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1890,1891,
 &end
#
# 125 ASP- HN 125 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1907,1909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 125 ASP- HA 125 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1911,1912,
 &end
#
# 126 GLU- HN 125 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- HA 127 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 125 ASP- HA 128 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 128 GLY QA 125 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1955,1956,
 &end
#
# 129 ASN HN 125 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- HA 129 ASN QD2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1969,1970,
 &end
#
# 23 TRP HE1 125 ASP- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1909, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23 TRP HH2 125 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TRP HZ2 125 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- HN 125 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1911,1912,
 &end
#
# 125 ASP- HN 126 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1907,1919, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 126 GLU- QG 125 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1926,1927,
 &end
#
# 125 ASP- HN 23 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1907, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TRP HZ2 125 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,1907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- QB 126 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1911,1912,
 &end
#
# 125 ASP- QB 127 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1911,1912,
 &end
#
# 125 ASP- QB 129 ASN QD2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1911,1912,
 igr2=1969,1970,
 &end
#
# 126 GLU- HN 126 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1921, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 126 GLU- HA 126 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1923,1924,
 &end
#
# 126 GLU- HA 126 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1926,1927,
 &end
#
# 126 GLU- HA 127 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1921,1934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 128 GLY HN 126 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 129 ASN HN 126 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 126 GLU- HA 129 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1964,1965,
 &end
#
# 129 ASN QD2 126 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1969,1970,
 &end
#
# 130 ARG+ HN 126 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 GLU- QB 126 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1923,1924,
 &end
#
# 126 GLU- HN 126 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1926,1927,
 &end
#
# 127 ILE HA 126 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 127 ILE HN 126 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1919, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 127 ILE QG1 126 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1944,1945,
 &end
#
# 126 GLU- HN 128 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 GLU- HN 129 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1960, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 129 ASN QD2 126 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1969,1970,
 &end
#
# 126 GLU- QB 126 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1923,1924,
 igr2=1926,1927,
 &end
#
# 126 GLU- QB 127 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1923,1924,
 &end
#
# 126 GLU- QB 129 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1923,1924,
 igr2=1964,1965,
 &end
#
# 127 ILE HN 126 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1926,1927,
 &end
#
# 126 GLU- QG 129 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1926,1927,
 igr2=1964,1965,
 &end
#
# 129 ASN QD2 126 GLU- QG 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1969,1970,
 igr2=1926,1927,
 &end
#
# 127 ILE HA 127 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1938, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 ILE HN 127 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 127 ILE QG1 127 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1944,1945,
 &end
#
# 127 ILE QG2 127 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1940,1941,1942,
 &end
#
# 127 ILE HA 128 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 130 ARG+ HN 127 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 130 ARG+ QB 127 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1978,1979,
 &end
#
# 130 ARG+ QG 127 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1981,1982,
 &end
#
# 127 ILE HN 127 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 127 ILE HB 127 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1947,1948,1949,
 &end
#
# 127 ILE HB 127 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1944,1945,
 &end
#
# 127 ILE HB 127 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1940,1941,1942,
 &end
#
# 128 GLY HN 127 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 MET QB 127 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 294, 295,
 &end
#
# 127 ILE HB 20 ALA HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1938, 309, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23 TRP HD1 127 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1938, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 ILE HB 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1938, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 ILE HN 127 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1947,1948,1949,
 &end
#
# 127 ILE QG1 127 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1944,1945,
 &end
#
# 127 ILE HN 127 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1940,1941,1942,
 &end
#
# 127 ILE HN 128 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 127 ILE HN 129 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1960, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 129 ASN QD2 127 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1969,1970,
 &end
#
# 23 TRP HD1 127 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1934, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23 TRP HE1 127 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 127 ILE QG1 127 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1944,1945,
 igr2=1947,1948,1949,
 &end
#
# 128 GLY HN 127 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1947,1948,1949,
 &end
#
# 16 ARG+ HA 127 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1947,1948,1949,
 &end
#
# 16 ARG+ HN 127 ILE QD1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1947,1948,1949,
 &end
#
# 16 ARG+ QG 127 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 245, 246,
 igr2=1947,1948,1949,
 &end
#
# 19 MET QB 127 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 294, 295,
 igr2=1947,1948,1949,
 &end
#
# 20 ALA HN 127 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1947,1948,1949,
 &end
#
# 81 LEU QQD 127 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1947,1948,1949,
 &end
#
# 127 ILE QG1 128 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1944,1945,
 &end
#
# 127 ILE QG1 131 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1944,1945,
 &end
#
# 127 ILE QG1 20 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1944,1945,
 &end
#
# 127 ILE QG1 20 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1944,1945,
 &end
#
# 127 ILE QG1 20 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1944,1945,
 igr2= 311, 312, 313,
 &end
#
# 127 ILE QG1 23 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1944,1945,
 &end
#
# 81 LEU QQD 127 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1944,1945,
 &end
#
# 127 ILE QG2 128 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1953, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1940,1941,1942,
 &end
#
# 127 ILE QG2 128 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1940,1941,1942,
 igr2=1955,1956,
 &end
#
# 127 ILE QG2 131 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1940,1941,1942,
 &end
#
# 19 MET QB 127 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 294, 295,
 igr2=1940,1941,1942,
 &end
#
# 127 ILE QG2 20 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1940,1941,1942,
 &end
#
# 20 ALA HN 127 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1940,1941,1942,
 &end
#
# 23 TRP HD1 127 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1940,1941,1942,
 &end
#
# 23 TRP HE1 127 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1940,1941,1942,
 &end
#
# 127 ILE QG2 23 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1940,1941,1942,
 igr2= 343, 344,
 &end
#
# 81 LEU QQD 127 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1940,1941,1942,
 &end
#
# 128 GLY HN 128 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1953,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1955,1956,
 &end
#
# 128 GLY HN 129 ASN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1960, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 128 GLY HN 130 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 130 ARG+ QB 128 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1978,1979,
 &end
#
# 128 GLY HN 131 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TRP HD1 128 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 128 GLY HN 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1953, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TRP HZ2 128 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 TYR QE 128 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 427,
 &end
#
# 128 GLY QA 129 ASN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1960, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1955,1956,
 &end
#
# 128 GLY QA 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1955,1956,
 &end
#
# 23 TRP QB 128 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 343, 344,
 igr2=1955,1956,
 &end
#
# 27 TYR QE 128 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 422, 427,
 igr2=1955,1956,
 &end
#
# 129 ASN HN 129 ASN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1962, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 129 ASN HA 129 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1962,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1964,1965,
 &end
#
# 129 ASN QD2 129 ASN HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1962, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1969,1970,
 &end
#
# 130 ARG+ HN 129 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 132 LYS+ HN 129 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2017,1962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 129 ASN HA 132 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1962,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2021,2022,
 &end
#
# 132 LYS+ QD 129 ASN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1962, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=2027,2028,
 &end
#
# 132 LYS+ QE 129 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1962, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2030,2031,
 &end
#
# 132 LYS+ QG 129 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1962, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2024,2025,
 &end
#
# 129 ASN HN 129 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1960,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1964,1965,
 &end
#
# 129 ASN QD2 129 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1969,1970,
 &end
#
# 130 ARG+ HN 129 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1960, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 132 LYS+ QB 129 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2021,2022,
 &end
#
# 23 TRP HE1 129 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1960, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 129 ASN QD2 129 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1969,1970,
 igr2=1964,1965,
 &end
#
# 130 ARG+ HN 129 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1964,1965,
 &end
#
# 129 ASN QB 131 LEU QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1964,1965,
 igr2=2002,2003,
 &end
#
# 129 ASN QD2 130 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1969,1970,
 &end
#
# 131 LEU HN 129 ASN QD2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1969,1970,
 &end
#
# 13 ASN HA 13 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13 ASN QD2 13 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 211, 212,
 &end
#
# 13 ASN HA 14 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13 ASN HA 15 CYS HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 13 ASN HA 17 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 36 SER QB 13 ASN HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 573, 574,
 &end
#
# 13 ASN QB 13 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 206, 207,
 &end
#
# 13 ASN HN 14 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13 ASN HN 41 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 41 ALA QB 13 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 635, 636, 637,
 &end
#
# 13 ASN QB 38 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 206, 207,
 &end
#
# 13 ASN QB 41 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 206, 207,
 igr2= 635, 636, 637,
 &end
#
# 13 ASN QB 65 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 206, 207,
 &end
#
# 13 ASN QD2 14 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 211, 212,
 &end
#
# 17 SER QB 13 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 266, 267,
 igr2= 211, 212,
 &end
#
# 13 ASN QD2 18 GLN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 211, 212,
 &end
#
# 18 GLN QG 13 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 280, 281,
 igr2= 211, 212,
 &end
#
# 36 SER QB 13 ASN QD2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 573, 574,
 igr2= 211, 212,
 &end
#
# 13 ASN QD2 37 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 211, 212,
 &end
#
# 13 ASN QD2 43 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 211, 212,
 &end
#
# 130 ARG+ HN 130 ARG+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1976, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 130 ARG+ HA 130 ARG+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1978,1979,
 &end
#
# 131 LEU QQD 130 ARG+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2007,2008,2009,2011,2012,2013,
 &end
#
# 132 LYS+ QB 130 ARG+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2021,2022,
 &end
#
# 133 GLU- HN 130 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,1976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 130 ARG+ HE 130 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1987,1974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 130 ARG+ QB 130 ARG+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1978,1979,
 &end
#
# 130 ARG+ QG 130 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1981,1982,
 &end
#
# 131 LEU HN 130 ARG+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1998,1974, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 131 LEU QQD 130 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2007,2008,2009,2011,2012,2013,
 &end
#
# 130 ARG+ HN 132 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1974,2017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 132 LYS+ QB 130 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2021,2022,
 &end
#
# 130 ARG+ HN 134 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1974,2054, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 130 ARG+ QB 131 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1978,1979,
 &end
#
# 130 ARG+ QG 79 VAL HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1981,1982,
 &end
#
# 131 LEU HG 131 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2005,2000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 LEU HN 131 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 LEU HA 131 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2002,2003,
 &end
#
# 133 GLU- HN 131 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 PHE HN 131 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2054,2000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 LEU HA 134 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2058,2059,
 &end
#
# 135 ALA HN 131 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 131 LEU HA 135 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2078,2079,2080,
 &end
#
# 27 TYR QE 131 LEU HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 422, 427,
 &end
#
# 131 LEU HG 131 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2005,1998, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 131 LEU HG 135 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2005,2074, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 131 LEU HN 131 LEU QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2002,2003,
 &end
#
# 131 LEU QQD 131 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=2007,2008,2009,2011,2012,2013,
 &end
#
# 131 LEU HN 132 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2017, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 131 LEU HN 133 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27 TYR QE 131 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 427,
 &end
#
# 131 LEU QB 132 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2017, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2002,2003,
 &end
#
# 132 LYS+ QG 131 LEU QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2024,2025,
 igr2=2002,2003,
 &end
#
# 23 TRP QB 131 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 343, 344,
 igr2=2002,2003,
 &end
#
# 131 LEU QB 24 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=2002,2003,
 &end
#
# 26 GLN HN 131 LEU QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2002,2003,
 &end
#
# 27 TYR QB 131 LEU QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 416, 417,
 igr2=2002,2003,
 &end
#
# 131 LEU QQD 24 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2007,2008,2009,2011,2012,2013,
 igr2= 367, 368, 369,
 &end
#
# 132 LYS+ HN 132 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2017,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 132 LYS+ HA 132 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2019,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2021,2022,
 &end
#
# 132 LYS+ QD 132 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2027,2028,
 &end
#
# 132 LYS+ QG 132 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=2024,2025,
 &end
#
# 133 GLU- HN 132 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 132 LYS+ HA 135 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2019,2076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 132 LYS+ HA 135 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2019,2074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 132 LYS+ HA 135 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2019,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2078,2079,2080,
 &end
#
# 136 GLU- HN 132 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 136 GLU- QG 132 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2091,2092,
 &end
#
# 26 GLN QB 132 LYS+ HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 399, 400,
 &end
#
# 27 TYR QB 132 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 416, 417,
 &end
#
# 27 TYR QE 132 LYS+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 427,
 &end
#
# 28 LEU QQD 132 LYS+ HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 132 LYS+ HN 132 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2017,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2021,2022,
 &end
#
# 132 LYS+ HN 132 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2017,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2027,2028,
 &end
#
# 132 LYS+ HN 132 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2017,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2024,2025,
 &end
#
# 133 GLU- HN 132 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2017, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 133 GLU- QG 132 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2017, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2046,2047,
 &end
#
# 135 ALA HN 132 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 132 LYS+ HN 136 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2017,2084, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 27 TYR QB 132 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 416, 417,
 &end
#
# 27 TYR QE 132 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2017, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 422, 427,
 &end
#
# 132 LYS+ QD 132 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2027,2028,
 igr2=2021,2022,
 &end
#
# 132 LYS+ QB 132 LYS+ QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2021,2022,
 igr2=2030,2031,
 &end
#
# 132 LYS+ QB 132 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2021,2022,
 igr2=2024,2025,
 &end
#
# 133 GLU- HN 132 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2021,2022,
 &end
#
# 132 LYS+ QB 134 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2021,2022,
 &end
#
# 132 LYS+ QB 134 PHE QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2021,2022,
 igr2=2058,2059,
 &end
#
# 132 LYS+ QB 136 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2021,2022,
 &end
#
# 132 LYS+ QB 136 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2021,2022,
 igr2=2091,2092,
 &end
#
# 132 LYS+ QD 132 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2027,2028,
 igr2=2030,2031,
 &end
#
# 132 LYS+ QD 132 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2027,2028,
 igr2=2024,2025,
 &end
#
# 132 LYS+ QD 133 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2039, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2027,2028,
 &end
#
# 132 LYS+ QD 134 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2027,2028,
 &end
#
# 132 LYS+ QD 135 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2027,2028,
 &end
#
# 132 LYS+ QG 132 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2024,2025,
 igr2=2030,2031,
 &end
#
# 132 LYS+ QG 133 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2024,2025,
 &end
#
# 132 LYS+ QG 133 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2039, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2024,2025,
 &end
#
# 133 GLU- QB 132 LYS+ QG 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2043,2044,
 igr2=2024,2025,
 &end
#
# 132 LYS+ QG 135 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2024,2025,
 &end
#
# 132 LYS+ QG 135 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2024,2025,
 igr2=2078,2079,2080,
 &end
#
# 132 LYS+ QG 136 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2024,2025,
 &end
#
# 132 LYS+ QG 136 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2024,2025,
 igr2=2091,2092,
 &end
#
# 132 LYS+ QG 137 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2024,2025,
 igr2=2105,2106,2107,
 &end
#
# 133 GLU- HN 133 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2041, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 133 GLU- HA 133 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2041,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2043,2044,
 &end
#
# 133 GLU- HA 133 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2041,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2046,2047,
 &end
#
# 133 GLU- HA 134 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 135 ALA HN 133 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 136 GLU- HN 133 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 133 GLU- HA 136 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2041,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2088,2089,
 &end
#
# 136 GLU- QG 133 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2091,2092,
 &end
#
# 133 GLU- HA 137 THR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 133 GLU- HA 137 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 137 THR QG2 133 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2105,2106,2107,
 &end
#
# 133 GLU- HA 138 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 133 GLU- HA 139 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 133 GLU- HN 133 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2043,2044,
 &end
#
# 133 GLU- HN 133 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2046,2047,
 &end
#
# 134 PHE HA 133 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2056,2039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 133 GLU- HN 134 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 133 GLU- HN 135 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 133 GLU- HN 135 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2078,2079,2080,
 &end
#
# 133 GLU- HN 136 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 133 GLU- HN 137 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2105,2106,2107,
 &end
#
# 139 LYS+ QB 133 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2039, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2124,2125,
 &end
#
# 134 PHE HN 133 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2043,2044,
 &end
#
# 133 GLU- QB 139 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2043,2044,
 &end
#
# 134 PHE HN 133 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2046,2047,
 &end
#
# 137 THR QG2 133 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2105,2106,2107,
 igr2=2046,2047,
 &end
#
# 134 PHE HA 134 PHE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2056,2054, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 134 PHE HA 134 PHE QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2056,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2058,2059,
 &end
#
# 134 PHE HA 135 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2056,2074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 138 GLY HN 134 PHE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2113,2056, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 PHE HA 139 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2056,2120, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 134 PHE HN 134 PHE QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2058,2059,
 &end
#
# 135 ALA HA 134 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2076,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 134 PHE HN 135 ALA HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2054,2074, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 136 GLU- HN 134 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 139 LYS+ HN 134 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 134 PHE HZ 77 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2066,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 134 PHE QE 134 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2064,2068,
 igr2=2058,2059,
 &end
#
# 135 ALA HN 134 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2058,2059,
 &end
#
# 134 PHE QB 136 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2058,2059,
 &end
#
# 137 THR HB 134 PHE QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2103,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2058,2059,
 &end
#
# 138 GLY QA 134 PHE QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2115,2116,
 igr2=2058,2059,
 &end
#
# 139 LYS+ HN 134 PHE QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2120,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2058,2059,
 &end
#
# 134 PHE QE 135 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2064,2068,
 &end
#
# 134 PHE QE 135 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2064,2068,
 &end
#
# 134 PHE QE 139 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2064,2068,
 &end
#
# 134 PHE QE 28 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2064,2068,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 134 PHE QE 32 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2064,2068,
 &end
#
# 135 ALA HN 135 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 135 ALA HA 135 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2076,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2078,2079,2080,
 &end
#
# 136 GLU- HN 135 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 135 ALA HA 137 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2076,2101, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 135 ALA HA 137 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2076,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 135 ALA HA 138 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2076,2113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 138 GLY QA 135 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2115,2116,
 &end
#
# 28 LEU HA 135 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 LEU HG 135 ALA HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 440,2076, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 135 ALA HA 28 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2076,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 32 TRP HH2 135 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,2076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 135 ALA HN 135 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2074,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2078,2079,2080,
 &end
#
# 135 ALA HN 136 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 135 ALA HN 136 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2084, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 136 GLU- QG 135 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2091,2092,
 &end
#
# 135 ALA HN 137 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2101, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 135 ALA HN 137 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 137 THR QG2 135 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2105,2106,2107,
 &end
#
# 135 ALA HN 138 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2074,2113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 TYR QB 135 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 416, 417,
 &end
#
# 28 LEU QQD 135 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2074, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 136 GLU- HN 135 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2084,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2078,2079,2080,
 &end
#
# 135 ALA QB 136 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2078,2079,2080,
 igr2=2091,2092,
 &end
#
# 135 ALA QB 139 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2078,2079,2080,
 &end
#
# 27 TYR QB 135 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 416, 417,
 igr2=2078,2079,2080,
 &end
#
# 27 TYR QE 135 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 422, 427,
 igr2=2078,2079,2080,
 &end
#
# 135 ALA QB 28 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2078,2079,2080,
 &end
#
# 28 LEU QQD 135 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2=2078,2079,2080,
 &end
#
# 135 ALA QB 29 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2078,2079,2080,
 &end
#
# 136 GLU- HA 136 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2086,2084, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 136 GLU- HA 136 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2086,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2088,2089,
 &end
#
# 136 GLU- HA 136 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2086,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2091,2092,
 &end
#
# 137 THR HN 136 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 136 GLU- HA 137 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2086,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2105,2106,2107,
 &end
#
# 138 GLY HN 136 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2113,2086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 139 LYS+ HN 136 GLU- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2086, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 136 GLU- HN 136 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2084,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2088,2089,
 &end
#
# 136 GLU- HN 136 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2084,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2091,2092,
 &end
#
# 136 GLU- HN 137 THR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 136 GLU- HN 137 THR HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2099, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 136 GLU- HN 137 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2105,2106,2107,
 &end
#
# 136 GLU- HN 138 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 136 GLU- HN 139 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2084,2120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 LEU QQD 136 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2084, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 137 THR HN 136 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2088,2089,
 &end
#
# 136 GLU- QB 137 THR QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2088,2089,
 igr2=2105,2106,2107,
 &end
#
# 138 GLY HN 136 GLU- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2088,2089,
 &end
#
# 137 THR HN 136 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2091,2092,
 &end
#
# 137 THR QG2 136 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2105,2106,2107,
 igr2=2091,2092,
 &end
#
# 137 THR HA 137 THR HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2101,2103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 137 THR HA 137 THR HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2101,2099, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 137 THR HA 137 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2101,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2105,2106,2107,
 &end
#
# 137 THR HA 138 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2101,2113, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 139 LYS+ HN 137 THR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 137 THR HB 137 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2103,2099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 137 THR HB 137 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2103,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2105,2106,2107,
 &end
#
# 138 GLY HN 137 THR HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2113,2103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 139 LYS+ HN 137 THR HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 137 THR HB 139 LYS+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2103,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2124,2125,
 &end
#
# 139 LYS+ QE 137 THR HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2133,2134,
 &end
#
# 137 THR HN 137 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=2105,2106,2107,
 &end
#
# 137 THR HN 138 GLY HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2113, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 137 THR HN 138 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2115,2116,
 &end
#
# 137 THR HN 139 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2099,2120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 138 GLY HN 137 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2105,2106,2107,
 &end
#
# 137 THR QG2 139 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2105,2106,2107,
 &end
#
# 139 LYS+ QE 137 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2133,2134,
 igr2=2105,2106,2107,
 &end
#
# 138 GLY HN 138 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2115,2116,
 &end
#
# 139 LYS+ HA 138 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=2122,2113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 138 GLY HN 139 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2113,2120, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 TRP HH2 138 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 501,2113, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 139 LYS+ HN 138 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=2120,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2115,2116,
 &end
#
# 139 LYS+ QG 138 GLY QA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2127,2128,
 igr2=2115,2116,
 &end
#
# 139 LYS+ HN 139 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 139 LYS+ HA 139 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2122,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2124,2125,
 &end
#
# 139 LYS+ HA 139 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=2122,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2127,2128,
 &end
#
# 139 LYS+ QB 139 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=2124,2125,
 &end
#
# 139 LYS+ QE 139 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2133,2134,
 &end
#
# 139 LYS+ QG 139 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2127,2128,
 &end
#
# 32 TRP HH2 139 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 501,2120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 139 LYS+ QE 139 LYS+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2133,2134,
 igr2=2124,2125,
 &end
#
# 139 LYS+ QB 139 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2124,2125,
 igr2=2127,2128,
 &end
#
# 139 LYS+ QB 97 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2124,2125,
 igr2=1449,1450,
 &end
#
# 139 LYS+ QE 139 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2133,2134,
 igr2=2127,2128,
 &end
#
# 14 SER HN 14 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 14 SER HA 14 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 220, 221,
 &end
#
# 14 SER HA 15 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14 SER HA 18 GLN QE2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 285, 286,
 &end
#
# 18 GLN QG 14 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 280, 281,
 &end
#
# 14 SER HA 44 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 14 SER HA 44 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 45 ASN HN 14 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14 SER QB 14 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 220, 221,
 &end
#
# 14 SER HN 15 CYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 14 SER QB 15 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 220, 221,
 &end
#
# 14 SER QB 40 GLU- QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 221,
 igr2= 623, 624,
 &end
#
# 14 SER QB 45 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 220, 221,
 &end
#
# 45 ASN QB 14 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 688, 689,
 igr2= 220, 221,
 &end
#
# 15 CYS HN 15 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
# 15 CYS HN 16 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 CYS HN 17 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 15 CYS HN 18 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 ARG+ HN 15 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
# 48 ALA QB 15 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 730, 731, 732,
 igr2= 231, 232,
 &end
#
# 16 ARG+ HN 16 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 ARG+ QB 16 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
# 16 ARG+ QG 16 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
# 17 SER HN 16 ARG+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 MET HN 16 ARG+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 MET QB 16 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 294, 295,
 &end
#
# 19 MET QG 16 ARG+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 297, 298,
 &end
#
# 16 ARG+ QB 16 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 242, 243,
 &end
#
# 16 ARG+ QD 16 ARG+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 248, 249,
 &end
#
# 16 ARG+ QG 16 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
# 16 ARG+ HN 17 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 ARG+ HN 18 GLN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 273, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 16 ARG+ QB 17 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 242, 243,
 &end
#
# 16 ARG+ QB 82 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 242, 243,
 igr2=1239,1240,
 &end
#
# 16 ARG+ QG 17 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 245, 246,
 &end
#
# 17 SER HN 17 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17 SER QB 17 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 266, 267,
 &end
#
# 20 ALA HN 17 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 ALA QB 17 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 311, 312, 313,
 &end
#
# 17 SER HA 81 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 17 SER HG 37 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 584, 585, 586,
 &end
#
# 17 SER QB 17 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 266, 267,
 &end
#
# 17 SER HN 18 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62 GLN QE2 17 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 948, 949,
 &end
#
# 81 LEU QQD 17 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 17 SER QB 18 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 266, 267,
 &end
#
# 17 SER QB 81 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 266, 267,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 18 GLN HA 18 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 18 GLN HA 18 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 277, 278,
 &end
#
# 18 GLN HA 18 GLN QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 280, 281,
 &end
#
# 18 GLN HA 19 MET HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18 GLN HA 20 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 307, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 18 GLN HA 21 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18 GLN HA 21 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 324, 325,
 &end
#
# 22 GLY HN 18 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE QD1 18 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 905, 906, 907,
 &end
#
# 62 GLN QE2 18 GLN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 948, 949,
 &end
#
# 18 GLN QB 18 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 277, 278,
 &end
#
# 18 GLN QG 18 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 280, 281,
 &end
#
# 18 GLN HN 19 MET HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 MET QG 18 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 297, 298,
 &end
#
# 18 GLN HN 20 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ILE QD1 18 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 905, 906, 907,
 &end
#
# 62 GLN QE2 18 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 948, 949,
 &end
#
# 18 GLN QB 19 MET HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
# 18 GLN QB 59 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 277, 278,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QG1 18 GLN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 902, 903,
 igr2= 277, 278,
 &end
#
# 18 GLN QB 62 GLN QE2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 277, 278,
 igr2= 948, 949,
 &end
#
# 18 GLN QE2 18 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 285, 286,
 igr2= 280, 281,
 &end
#
# 18 GLN QE2 44 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 285, 286,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 18 GLN QE2 63 THR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 285, 286,
 &end
#
# 64 SER HA 18 GLN QE2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 285, 286,
 &end
#
# 18 GLN QE2 64 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 285, 286,
 &end
#
# 64 SER QB 18 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 971, 972,
 igr2= 285, 286,
 &end
#
# 18 GLN QE2 65 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 285, 286,
 &end
#
# 44 LEU QQD 18 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 280, 281,
 &end
#
# 18 GLN QG 45 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 280, 281,
 &end
#
# 19 MET HN 19 MET HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 MET QB 19 MET HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 294, 295,
 &end
#
# 20 ALA HN 19 MET HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 MET HA 21 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 GLY HN 19 MET HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TRP HN 19 MET HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 MET HA 52 MET HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 MET QG 19 MET HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
# 59 ILE QD1 19 MET HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 905, 906, 907,
 &end
#
# 19 MET HA 59 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 898, 899, 900,
 &end
#
# 19 MET QB 19 MET HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 294, 295,
 &end
#
# 19 MET HN 19 MET QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 297, 298,
 &end
#
# 19 MET HN 20 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 MET HN 21 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 48 ALA QB 19 MET HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 730, 731, 732,
 &end
#
# 19 MET QB 19 MET QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 294, 295,
 igr2= 297, 298,
 &end
#
# 19 MET QB 20 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 294, 295,
 &end
#
# 19 MET QB 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 294, 295,
 &end
#
# 19 MET QB 48 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 294, 295,
 igr2= 730, 731, 732,
 &end
#
# 52 MET QE 19 MET QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 795, 796, 797,
 igr2= 294, 295,
 &end
#
# 19 MET QG 20 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 297, 298,
 &end
#
# 19 MET QG 22 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 297, 298,
 &end
#
# 19 MET QG 48 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 297, 298,
 igr2= 730, 731, 732,
 &end
#
# 2 GLU- HA 2 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  25,  26,
 &end
#
# 2 GLU- QG 2 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  28,  29,
 &end
#
# 3 ASN HN 2 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 2 GLU- HA 30 ASP- QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 463, 464,
 &end
#
# 4 LYS+ HN 2 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 ASN HN 2 GLU- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
# 2 GLU- QG 3 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  28,  29,
 &end
#
# 33 LYS+ QD 2 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 520, 521,
 igr2=  28,  29,
 &end
#
# 20 ALA HN 20 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20 ALA HA 20 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 311, 312, 313,
 &end
#
# 21 GLU- HN 20 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 GLY HN 20 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TRP HD1 20 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 ALA HA 23 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 349, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23 TRP HN 20 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 ALA HA 23 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 343, 344,
 &end
#
# 24 ALA HN 20 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 ALA HA 24 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 367, 368, 369,
 &end
#
# 81 LEU QQD 20 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 20 ALA HN 20 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 311, 312, 313,
 &end
#
# 20 ALA HN 21 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 ALA HN 22 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LEU QQD 20 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 20 ALA QB 21 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 311, 312, 313,
 &end
#
# 20 ALA QB 22 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 311, 312, 313,
 &end
#
# 8 PHE QB 20 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 135, 136,
 igr2= 311, 312, 313,
 &end
#
# 20 ALA QB 81 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 311, 312, 313,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 21 GLU- HN 21 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21 GLU- HA 21 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 324, 325,
 &end
#
# 22 GLY HN 21 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24 ALA HN 21 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21 GLU- HA 24 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 367, 368, 369,
 &end
#
# 21 GLU- HA 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 81 LEU QQD 21 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 21 GLU- QB 21 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 321, 322,
 &end
#
# 21 GLU- HN 21 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 324, 325,
 &end
#
# 21 GLU- HN 22 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22 GLY QA 21 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 334, 335,
 &end
#
# 23 TRP HN 21 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 VAL QQG 21 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 538, 539, 540, 542, 543, 544,
 &end
#
# 59 ILE QG2 21 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 898, 899, 900,
 &end
#
# 62 GLN QE2 21 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 948, 949,
 &end
#
# 21 GLU- HN 81 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 21 GLU- QB 22 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 321, 322,
 &end
#
# 21 GLU- QB 35 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
# 21 GLU- QB 36 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
# 62 GLN QE2 21 GLU- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 948, 949,
 igr2= 321, 322,
 &end
#
# 21 GLU- QG 22 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 324, 325,
 &end
#
# 25 LYS+ QE 21 GLU- QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 386, 387,
 igr2= 324, 325,
 &end
#
# 34 VAL QQG 21 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2= 324, 325,
 &end
#
# 62 GLN QE2 21 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 948, 949,
 igr2= 324, 325,
 &end
#
# 22 GLY HN 22 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 334, 335,
 &end
#
# 22 GLY HN 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24 ALA HN 22 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 MET QE 22 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 795, 796, 797,
 &end
#
# 57 ILE QG2 22 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 867, 868, 869,
 &end
#
# 22 GLY HN 59 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 898, 899, 900,
 &end
#
# 22 GLY HN 62 GLN QE2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 948, 949,
 &end
#
# 23 TRP HN 22 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 334, 335,
 &end
#
# 25 LYS+ HN 22 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 334, 335,
 &end
#
# 25 LYS+ QB 22 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 377, 378,
 igr2= 334, 335,
 &end
#
# 25 LYS+ QD 22 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 383, 384,
 igr2= 334, 335,
 &end
#
# 22 GLY QA 26 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 334, 335,
 &end
#
# 22 GLY QA 57 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 334, 335,
 &end
#
# 22 GLY QA 57 ILE HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 334, 335,
 &end
#
# 22 GLY QA 57 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 334, 335,
 igr2= 867, 868, 869,
 &end
#
# 59 ILE QD1 22 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 905, 906, 907,
 igr2= 334, 335,
 &end
#
# 22 GLY QA 59 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 334, 335,
 igr2= 898, 899, 900,
 &end
#
# 62 GLN QE2 22 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 948, 949,
 igr2= 334, 335,
 &end
#
# 23 TRP HD1 23 TRP HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TRP HN 23 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 TRP HA 23 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 343, 344,
 &end
#
# 24 ALA HN 23 TRP HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TRP HA 25 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 GLN HA 23 TRP HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 341, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 26 GLN HN 23 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 GLN QB 23 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 399, 400,
 &end
#
# 26 GLN QE2 23 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 407, 408,
 &end
#
# 23 TRP HA 26 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
# 23 TRP HA 27 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TRP HA 57 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 874, 875, 876,
 &end
#
# 57 ILE QG2 23 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 867, 868, 869,
 &end
#
# 23 TRP HD1 23 TRP HE1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 23 TRP HD1 23 TRP HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TRP HD1 23 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 343, 344,
 &end
#
# 23 TRP HZ2 23 TRP HE1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 TRP QB 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 343, 344,
 &end
#
# 52 MET QE 23 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 795, 796, 797,
 &end
#
# 23 TRP HE1 55 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 23 TRP HH2 55 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 23 TRP HN 23 TRP QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 343, 344,
 &end
#
# 23 TRP HN 24 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 TRP HN 25 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26 GLN HN 23 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 GLN QE2 23 TRP HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 407, 408,
 &end
#
# 52 MET QE 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 795, 796, 797,
 &end
#
# 57 ILE QD1 23 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 874, 875, 876,
 &end
#
# 57 ILE QG2 23 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 867, 868, 869,
 &end
#
# 59 ILE QG2 23 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 898, 899, 900,
 &end
#
# 23 TRP HZ2 51 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 778, 779, 780,
 &end
#
# 23 TRP HZ2 55 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TRP HZ2 55 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23 TRP HZ2 55 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 23 TRP HZ2 57 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 874, 875, 876,
 &end
#
# 23 TRP QB 24 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 343, 344,
 &end
#
# 23 TRP QB 57 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 343, 344,
 igr2= 874, 875, 876,
 &end
#
# 24 ALA HN 24 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 24 ALA HA 24 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 367, 368, 369,
 &end
#
# 25 LYS+ HN 24 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 GLN HN 24 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26 GLN QE2 24 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 407, 408,
 &end
#
# 27 TYR HN 24 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 27 TYR QB 24 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 416, 417,
 &end
#
# 28 LEU HN 24 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 LEU QQD 24 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 24 ALA HN 24 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 367, 368, 369,
 &end
#
# 24 ALA HN 25 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24 ALA HN 26 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24 ALA HN 27 TYR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 24 ALA HN 28 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 25 LYS+ HN 24 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
# 28 LEU QQD 24 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 367, 368, 369,
 &end
#
# 32 TRP HH2 24 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 367, 368, 369,
 &end
#
# 32 TRP HZ3 24 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 367, 368, 369,
 &end
#
# 24 ALA QB 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 367, 368, 369,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 24 ALA QB 6 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 367, 368, 369,
 igr2= 104, 105, 106,
 &end
#
# 24 ALA QB 6 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 367, 368, 369,
 igr2=  97,  98,  99,
 &end
#
# 79 VAL QQG 24 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2= 367, 368, 369,
 &end
#
# 25 LYS+ HA 25 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 373, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 LYS+ HA 25 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 377, 378,
 &end
#
# 25 LYS+ HA 25 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
# 25 LYS+ HA 25 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 380, 381,
 &end
#
# 26 GLN HN 25 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 LYS+ HA 29 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 LYS+ HA 34 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 532, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 25 LYS+ HA 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 25 LYS+ HN 25 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 377, 378,
 &end
#
# 25 LYS+ QE 25 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
# 25 LYS+ HN 25 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 380, 381,
 &end
#
# 25 LYS+ HN 26 GLN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 LEU QQD 25 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 25 LYS+ HN 34 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LYS+ HN 34 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 26 GLN HN 25 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 377, 378,
 &end
#
# 34 VAL QQG 25 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2= 383, 384,
 &end
#
# 25 LYS+ QE 34 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 386, 387,
 &end
#
# 25 LYS+ QG 26 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 381,
 &end
#
# 25 LYS+ QG 34 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 380, 381,
 &end
#
# 25 LYS+ QG 34 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 380, 381,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 26 GLN HN 26 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 GLN QB 26 GLN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 399, 400,
 &end
#
# 26 GLN QE2 26 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 407, 408,
 &end
#
# 26 GLN HA 26 GLN QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 402, 403,
 &end
#
# 27 TYR HN 26 GLN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 GLN HA 57 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 874, 875, 876,
 &end
#
# 26 GLN HN 26 GLN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 399, 400,
 &end
#
# 26 GLN QE2 26 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 407, 408,
 &end
#
# 26 GLN HN 26 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
# 26 GLN HN 27 TYR HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 LEU HN 26 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 GLY HN 26 GLN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 395, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 34 VAL QQG 26 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 538, 539, 540, 542, 543, 544,
 &end
#
# 26 GLN HN 57 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 874, 875, 876,
 &end
#
# 57 ILE QG2 26 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 867, 868, 869,
 &end
#
# 26 GLN QE2 26 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 407, 408,
 igr2= 399, 400,
 &end
#
# 26 GLN QB 27 TYR HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 399, 400,
 &end
#
# 26 GLN QB 27 TYR QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 399, 400,
 igr2= 416, 417,
 &end
#
# 26 GLN QB 57 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 399, 400,
 igr2= 874, 875, 876,
 &end
#
# 26 GLN QE2 26 GLN QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 407, 408,
 igr2= 402, 403,
 &end
#
# 26 GLN QE2 27 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 407, 408,
 &end
#
# 26 GLN QE2 27 TYR QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 407, 408,
 igr2= 416, 417,
 &end
#
# 26 GLN QE2 28 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 407, 408,
 &end
#
# 55 VAL QQG 26 GLN QE2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 407, 408,
 &end
#
# 57 ILE HN 26 GLN QE2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 407, 408,
 &end
#
# 26 GLN QE2 57 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 407, 408,
 igr2= 874, 875, 876,
 &end
#
# 26 GLN QE2 57 ILE QG1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 407, 408,
 igr2= 871, 872,
 &end
#
# 57 ILE QG2 26 GLN QE2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 867, 868, 869,
 igr2= 407, 408,
 &end
#
# 27 TYR HN 26 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
# 27 TYR QE 26 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 422, 427,
 igr2= 402, 403,
 &end
#
# 52 MET QE 26 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 795, 796, 797,
 igr2= 402, 403,
 &end
#
# 57 ILE HA 26 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 402, 403,
 &end
#
# 57 ILE HB 26 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 402, 403,
 &end
#
# 57 ILE QD1 26 GLN QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 874, 875, 876,
 igr2= 402, 403,
 &end
#
# 57 ILE QG1 26 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 871, 872,
 igr2= 402, 403,
 &end
#
# 27 TYR HN 27 TYR QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 416, 417,
 &end
#
# 27 TYR QE 27 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 427,
 &end
#
# 27 TYR HN 28 LEU HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 LEU HG 27 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27 TYR HN 28 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 LEU QQD 27 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 27 TYR HN 29 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 452, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 57 ILE QD1 27 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 874, 875, 876,
 &end
#
# 27 TYR QE 27 TYR QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 422, 427,
 igr2= 416, 417,
 &end
#
# 28 LEU HG 27 TYR QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 416, 417,
 &end
#
# 28 LEU HN 27 TYR QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 416, 417,
 &end
#
# 27 TYR QB 28 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 416, 417,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU HG 28 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 LEU HN 28 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 LEU HA 28 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 437, 438,
 &end
#
# 28 LEU HA 28 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 29 GLY HN 28 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 LEU HA 32 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 LEU HG 28 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 LEU QQD 28 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QB 28 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 437, 438,
 &end
#
# 28 LEU QQD 28 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU HN 29 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 LEU HN 29 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 454, 455,
 &end
#
# 28 LEU QB 28 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 437, 438,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QB 29 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 437, 438,
 &end
#
# 32 TRP HD1 28 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 437, 438,
 &end
#
# 28 LEU QB 32 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 437, 438,
 &end
#
# 28 LEU QB 32 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 437, 438,
 igr2= 490, 491,
 &end
#
# 29 GLY HN 28 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 29 GLY QA 28 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 454, 455,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 32 TRP HD1 28 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QQD 32 TRP HE1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 32 TRP HH2 28 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QQD 32 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QQD 32 TRP QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 490, 491,
 &end
#
# 28 LEU QQD 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 28 LEU QQD 6 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QQD 6 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 442, 443, 444, 446, 447, 448,
 &end
#
# 28 LEU QQD 6 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 104, 105, 106,
 &end
#
# 28 LEU QQD 6 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2=  97,  98,  99,
 &end
#
# 29 GLY HN 29 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 454, 455,
 &end
#
# 29 GLY HN 30 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 GLY HN 31 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HD1 29 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 GLY HN 32 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HN 29 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP QB 29 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 490, 491,
 &end
#
# 30 ASP- HN 29 GLY QA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 454, 455,
 &end
#
# 31 GLU- HN 29 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 454, 455,
 &end
#
# 31 GLU- QB 29 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 475, 476,
 igr2= 454, 455,
 &end
#
# 32 TRP HD1 29 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 454, 455,
 &end
#
# 29 GLY QA 32 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 454, 455,
 &end
#
# 32 TRP HN 29 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 454, 455,
 &end
#
# 3 ASN HA 3 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  40,  41,
 &end
#
# 3 ASN HA 31 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 ASN HA 33 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 510, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 3 ASN HA 4 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 ASN QB 3 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  40,  41,
 &end
#
# 3 ASN QD2 3 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  45,  46,
 &end
#
# 3 ASN HN 31 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  36, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HA 3 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 33 LYS+ HA 3 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  36, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 4 LYS+ HA 3 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3 ASN HN 4 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 LYS+ QD 3 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  60,  61,
 &end
#
# 76 ASP- QB 3 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1143,1144,
 &end
#
# 3 ASN QD2 3 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  45,  46,
 igr2=  40,  41,
 &end
#
# 31 GLU- HA 3 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  40,  41,
 &end
#
# 31 GLU- QB 3 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 475, 476,
 igr2=  40,  41,
 &end
#
# 32 TRP HA 3 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  40,  41,
 &end
#
# 33 LYS+ QB 3 ASN QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 514, 515,
 igr2=  40,  41,
 &end
#
# 4 LYS+ HN 3 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  40,  41,
 &end
#
# 4 LYS+ QD 3 ASN QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  60,  61,
 igr2=  40,  41,
 &end
#
# 5 ILE QG1 3 ASN QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  82,  83,
 igr2=  40,  41,
 &end
#
# 3 ASN QD2 31 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  45,  46,
 &end
#
# 3 ASN QD2 32 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  45,  46,
 &end
#
# 3 ASN QD2 32 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  45,  46,
 &end
#
# 3 ASN QD2 4 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  45,  46,
 &end
#
# 30 ASP- HN 30 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 30 ASP- HA 30 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 463, 464,
 &end
#
# 31 GLU- HN 30 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 TRP HN 30 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 30 ASP- HN 30 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 463, 464,
 &end
#
# 31 GLU- HN 30 ASP- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 459, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 31 GLU- QG 30 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 478, 479,
 &end
#
# 32 TRP HD1 30 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HN 30 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 TRP QB 30 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 490, 491,
 &end
#
# 30 ASP- QB 31 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 463, 464,
 &end
#
# 32 TRP HN 30 ASP- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
# 31 GLU- HN 31 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 31 GLU- HA 31 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 475, 476,
 &end
#
# 31 GLU- QG 31 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 478, 479,
 &end
#
# 32 TRP HD1 31 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HN 31 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 LYS+ HN 31 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31 GLU- HN 31 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 475, 476,
 &end
#
# 31 GLU- QG 31 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 478, 479,
 &end
#
# 32 TRP HA 31 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HD1 31 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31 GLU- HN 32 TRP HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 TRP HD1 31 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 478, 479,
 &end
#
# 32 TRP HE1 31 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 478, 479,
 &end
#
# 32 TRP HN 31 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 478, 479,
 &end
#
# 4 LYS+ QD 31 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  60,  61,
 igr2= 478, 479,
 &end
#
# 32 TRP HD1 32 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 TRP HN 32 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 TRP HA 32 TRP QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 490, 491,
 &end
#
# 33 LYS+ HN 32 TRP HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 488, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 TRP HA 33 LYS+ QG 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 517, 518,
 &end
#
# 32 TRP HA 34 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 4 LYS+ HN 32 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 TRP HA 4 LYS+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  54,  55,
 &end
#
# 5 ILE HA 32 TRP HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 TRP HA 6 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HD1 32 TRP HE1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 TRP HD1 32 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 TRP HD1 32 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 490, 491,
 &end
#
# 32 TRP HH2 32 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HE1 32 TRP HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HZ2 32 TRP HE1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 TRP QB 32 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 490, 491,
 &end
#
# 32 TRP HE1 4 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  63,  64,
 &end
#
# 4 LYS+ QG 32 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  57,  58,
 &end
#
# 77 LEU QQD 32 TRP HE1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1160,1161,1162,1164,1165,1166,
 &end
#
# 32 TRP HH2 6 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 104, 105, 106,
 &end
#
# 32 TRP HH2 77 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 32 TRP QB 32 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 490, 491,
 &end
#
# 32 TRP HN 33 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 TRP HZ2 4 LYS+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  60,  61,
 &end
#
# 32 TRP HZ3 5 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  72, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 32 TRP HZ3 6 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 TRP HZ3 6 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  95, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 TRP HZ3 6 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 32 TRP HZ3 6 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 104, 105, 106,
 &end
#
# 32 TRP HZ3 7 TYR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 32 TRP HZ3 76 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 503,1139, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 32 TRP HZ3 76 ASP- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1143,1144,
 &end
#
# 32 TRP HZ3 77 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 503,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 TRP HZ3 77 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1155,1156,
 &end
#
# 32 TRP QB 33 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 490, 491,
 &end
#
# 32 TRP QB 34 VAL HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 490, 491,
 &end
#
# 32 TRP QB 34 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 490, 491,
 &end
#
# 32 TRP QB 34 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 490, 491,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 32 TRP QB 6 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 490, 491,
 &end
#
# 32 TRP QB 6 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 490, 491,
 igr2=  97,  98,  99,
 &end
#
# 33 LYS+ HN 33 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 33 LYS+ HA 33 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 514, 515,
 &end
#
# 33 LYS+ HA 33 LYS+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 520, 521,
 &end
#
# 33 LYS+ QE 33 LYS+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 523, 524,
 &end
#
# 33 LYS+ HA 33 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 517, 518,
 &end
#
# 34 VAL HN 33 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 512, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 34 VAL QQG 33 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 538, 539, 540, 542, 543, 544,
 &end
#
# 33 LYS+ HN 33 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 514, 515,
 &end
#
# 33 LYS+ QD 33 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 520, 521,
 &end
#
# 33 LYS+ QG 33 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
# 33 LYS+ HN 34 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 33 LYS+ HN 34 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 33 LYS+ HN 4 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4 LYS+ QB 33 LYS+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  54,  55,
 &end
#
# 5 ILE HA 33 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 5 ILE QG1 33 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  82,  83,
 &end
#
# 33 LYS+ HN 6 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 33 LYS+ QB 33 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 514, 515,
 igr2= 517, 518,
 &end
#
# 33 LYS+ QB 34 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 514, 515,
 &end
#
# 35 TYR QE 33 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 563,
 igr2= 514, 515,
 &end
#
# 5 ILE HA 33 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 514, 515,
 &end
#
# 6 ILE HN 33 LYS+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 514, 515,
 &end
#
# 33 LYS+ QD 33 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 520, 521,
 igr2= 523, 524,
 &end
#
# 34 VAL HN 33 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
# 33 LYS+ QG 33 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 517, 518,
 igr2= 523, 524,
 &end
#
# 33 LYS+ QE 35 TYR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 523, 524,
 &end
#
# 33 LYS+ QG 34 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
# 33 LYS+ QG 35 TYR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 517, 518,
 &end
#
# 33 LYS+ QG 5 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 517, 518,
 &end
#
# 33 LYS+ QG 5 ILE QG1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 517, 518,
 igr2=  82,  83,
 &end
#
# 34 VAL HB 34 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34 VAL HN 34 VAL HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 34 VAL HA 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 35 TYR HN 34 VAL HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 534, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 34 VAL HA 5 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 VAL HA 5 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  78,  79,  80,
 &end
#
# 6 ILE HN 34 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34 VAL HA 6 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  97,  98,  99,
 &end
#
# 34 VAL HN 34 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34 VAL HB 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 35 TYR HN 34 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 34 VAL HN 34 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 34 VAL HN 35 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 TYR QE 34 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 558, 563,
 &end
#
# 34 VAL HN 6 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  97,  98,  99,
 &end
#
# 34 VAL QQG 35 TYR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 538, 539, 540, 542, 543, 544,
 &end
#
# 34 VAL QQG 35 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 538, 539, 540, 542, 543, 544,
 &end
#
# 34 VAL QQG 6 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 538, 539, 540, 542, 543, 544,
 &end
#
# 34 VAL QQG 6 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2= 104, 105, 106,
 &end
#
# 6 ILE QG1 34 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 101, 102,
 igr2= 538, 539, 540, 542, 543, 544,
 &end
#
# 34 VAL QQG 6 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2=  97,  98,  99,
 &end
#
# 35 TYR HN 35 TYR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 TYR HA 35 TYR QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 552, 553,
 &end
#
# 36 SER HN 35 TYR HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 550, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 TYR HA 6 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 35 TYR HA 8 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 131, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 35 TYR QB 35 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 552, 553,
 &end
#
# 35 TYR QE 35 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 558, 563,
 &end
#
# 36 SER HN 35 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5 ILE HA 35 TYR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 548, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 6 ILE HN 35 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 TYR HN 6 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  97,  98,  99,
 &end
#
# 35 TYR HN 7 TYR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7 TYR QB 35 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
# 71 ILE QG2 35 TYR HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1069,1070,1071,
 &end
#
# 35 TYR HN 8 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 TYR QE 35 TYR QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 558, 563,
 igr2= 552, 553,
 &end
#
# 36 SER HN 35 TYR QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 552, 553,
 &end
#
# 35 TYR QB 7 TYR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 552, 553,
 &end
#
# 35 TYR QB 71 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 552, 553,
 igr2=1076,1077,1078,
 &end
#
# 35 TYR QB 71 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 552, 553,
 igr2=1069,1070,1071,
 &end
#
# 35 TYR QB 8 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 552, 553,
 &end
#
# 35 TYR QE 5 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 558, 563,
 igr2=  85,  86,  87,
 &end
#
# 35 TYR QE 5 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 558, 563,
 igr2=  78,  79,  80,
 &end
#
# 35 TYR QE 6 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 558, 563,
 &end
#
# 35 TYR QE 7 TYR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 558, 563,
 &end
#
# 35 TYR QE 7 TYR QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 558, 563,
 igr2= 114, 115,
 &end
#
# 35 TYR QE 71 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 558, 563,
 igr2=1076,1077,1078,
 &end
#
# 35 TYR QE 71 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 558, 563,
 igr2=1069,1070,1071,
 &end
#
# 35 TYR QE 72 LEU HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 558, 563,
 &end
#
# 36 SER HN 36 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 36 SER QB 36 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 573, 574,
 &end
#
# 36 SER HA 37 ALA HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 580, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 36 SER HA 7 TYR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 TYR QE 36 SER HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 120, 125,
 &end
#
# 36 SER HA 8 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 8 PHE QB 36 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 135, 136,
 &end
#
# 36 SER QB 36 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 573, 574,
 &end
#
# 36 SER HN 37 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 580, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 7 TYR QE 36 SER HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 120, 125,
 &end
#
# 36 SER QB 37 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 573, 574,
 &end
#
# 36 SER QB 8 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 573, 574,
 &end
#
# 8 PHE QB 36 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 135, 136,
 igr2= 573, 574,
 &end
#
# 37 ALA HA 37 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 37 ALA HA 37 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 584, 585, 586,
 &end
#
# 38 GLY HN 37 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 582, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 37 ALA HA 65 ASP- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 ALA HA 65 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 65 ASP- QB 37 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 983,
 &end
#
# 68 ASP- QB 37 ALA HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1032,1033,
 &end
#
# 37 ALA HN 37 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 584, 585, 586,
 &end
#
# 38 GLY HN 37 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 ILE QG1 37 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1019,1020,
 &end
#
# 7 TYR QE 37 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 120, 125,
 &end
#
# 37 ALA HN 9 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 37 ALA HN 9 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 160, 161, 162, 164, 165, 166,
 &end
#
# 38 GLY HN 37 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 584, 585, 586,
 &end
#
# 65 ASP- HN 37 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 584, 585, 586,
 &end
#
# 65 ASP- QB 37 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 982, 983,
 igr2= 584, 585, 586,
 &end
#
# 66 ILE HA 37 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 584, 585, 586,
 &end
#
# 66 ILE HN 37 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 584, 585, 586,
 &end
#
# 37 ALA QB 67 ILE HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 584, 585, 586,
 &end
#
# 67 ILE HN 37 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 584, 585, 586,
 &end
#
# 67 ILE QG2 37 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1015,1016,1017,
 igr2= 584, 585, 586,
 &end
#
# 68 ASP- HN 37 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 584, 585, 586,
 &end
#
# 7 TYR QE 37 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 120, 125,
 igr2= 584, 585, 586,
 &end
#
# 9 LEU QQD 37 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 160, 161, 162, 164, 165, 166,
 igr2= 584, 585, 586,
 &end
#
# 38 GLY HN 38 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
# 38 GLY HN 39 ILE QD1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 610, 611, 612,
 &end
#
# 38 GLY HN 40 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 ALA QB 38 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 635, 636, 637,
 &end
#
# 65 ASP- HN 38 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 38 GLY HN 66 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 38 GLY HN 66 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 GLY HN 66 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 996, 997, 998,
 &end
#
# 38 GLY HN 67 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 38 GLY HN 9 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 160, 161, 162, 164, 165, 166,
 &end
#
# 39 ILE HN 38 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
# 40 GLU- HN 38 GLY QA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 592, 593,
 &end
#
# 66 ILE QG1 38 GLY QA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1000,1001,
 igr2= 592, 593,
 &end
#
# 38 GLY QA 9 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 592, 593,
 &end
#
# 38 GLY QA 9 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 592, 593,
 &end
#
# 39 ILE HB 39 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 ILE HN 39 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 ILE HA 39 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 610, 611, 612,
 &end
#
# 39 ILE HA 39 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 607, 608,
 &end
#
# 39 ILE HA 39 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 603, 604, 605,
 &end
#
# 40 GLU- HN 39 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 ILE HA 67 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 599,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 ILE HA 67 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 599,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 ILE HA 67 ILE QG1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1019,1020,
 &end
#
# 67 ILE QG2 39 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1015,1016,1017,
 &end
#
# 39 ILE HN 39 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 601, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 39 ILE HB 39 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 610, 611, 612,
 &end
#
# 39 ILE HB 39 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 607, 608,
 &end
#
# 39 ILE QG2 39 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 603, 604, 605,
 &end
#
# 40 GLU- HN 39 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 39 ILE HN 39 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 610, 611, 612,
 &end
#
# 39 ILE QG1 39 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 607, 608,
 &end
#
# 39 ILE HN 39 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 603, 604, 605,
 &end
#
# 40 GLU- HN 39 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85 ALA QB 39 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1269,1270,1271,
 &end
#
# 39 ILE QD1 39 ILE QG1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 610, 611, 612,
 igr2= 607, 608,
 &end
#
# 39 ILE QD1 39 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611, 612,
 igr2= 603, 604, 605,
 &end
#
# 39 ILE QD1 40 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 610, 611, 612,
 &end
#
# 39 ILE QD1 85 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611, 612,
 igr2=1269,1270,1271,
 &end
#
# 86 ALA HA 39 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 610, 611, 612,
 &end
#
# 39 ILE QD1 88 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 610, 611, 612,
 &end
#
# 39 ILE QD1 88 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 610, 611, 612,
 igr2=1301,1302,
 &end
#
# 39 ILE QD1 88 LYS+ QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 610, 611, 612,
 igr2=1310,1311,
 &end
#
# 89 CYS HA 39 ILE QD1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 610, 611, 612,
 &end
#
# 39 ILE QD1 89 CYS HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 610, 611, 612,
 &end
#
# 9 LEU HG 39 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 610, 611, 612,
 &end
#
# 90 PRO QD 39 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1331,1332,
 igr2= 610, 611, 612,
 &end
#
# 39 ILE QG1 40 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 607, 608,
 &end
#
# 88 LYS+ QG 39 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1304,1305,
 igr2= 607, 608,
 &end
#
# 40 GLU- HA 39 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 603, 604, 605,
 &end
#
# 39 ILE QG2 40 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 603, 604, 605,
 &end
#
# 40 GLU- QB 39 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 620, 621,
 igr2= 603, 604, 605,
 &end
#
# 39 ILE QG2 40 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 603, 604, 605,
 igr2= 623, 624,
 &end
#
# 67 ILE HN 39 ILE QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 603, 604, 605,
 &end
#
# 39 ILE QG2 88 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 603, 604, 605,
 igr2=1310,1311,
 &end
#
# 4 LYS+ QB 4 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  54,  55,
 &end
#
# 4 LYS+ HA 4 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  60,  61,
 &end
#
# 4 LYS+ HA 4 LYS+ QE 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  63,  64,
 &end
#
# 4 LYS+ HA 4 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  57,  58,
 &end
#
# 5 ILE HN 4 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 LYS+ HA 5 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  85,  86,  87,
 &end
#
# 4 LYS+ HA 76 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  52,1139, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 4 LYS+ QB 4 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  54,  55,
 &end
#
# 4 LYS+ HN 4 LYS+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  60,  61,
 &end
#
# 4 LYS+ QG 4 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  57,  58,
 &end
#
# 4 LYS+ HN 5 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  72, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 4 LYS+ QB 4 LYS+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  54,  55,
 igr2=  60,  61,
 &end
#
# 4 LYS+ QB 4 LYS+ QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  54,  55,
 igr2=  63,  64,
 &end
#
# 4 LYS+ QG 4 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  57,  58,
 igr2=  54,  55,
 &end
#
# 4 LYS+ QB 5 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  54,  55,
 &end
#
# 76 ASP- QB 4 LYS+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1143,1144,
 igr2=  54,  55,
 &end
#
# 4 LYS+ QE 4 LYS+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  63,  64,
 igr2=  60,  61,
 &end
#
# 4 LYS+ QG 4 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  57,  58,
 igr2=  63,  64,
 &end
#
# 4 LYS+ QE 6 ILE HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  63,  64,
 &end
#
# 5 ILE HN 4 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  57,  58,
 &end
#
# 40 GLU- HA 40 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 40 GLU- HA 40 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 620, 621,
 &end
#
# 40 GLU- HA 40 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 623, 624,
 &end
#
# 41 ALA HN 40 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 40 GLU- HA 66 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1003,1004,1005,
 &end
#
# 66 ILE QG1 40 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1000,1001,
 &end
#
# 66 ILE QG2 40 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 996, 997, 998,
 &end
#
# 40 GLU- HA 67 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 618,1009, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 40 GLU- QB 40 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 620, 621,
 &end
#
# 40 GLU- QG 40 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 623, 624,
 &end
#
# 40 GLU- HN 67 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1015,1016,1017,
 &end
#
# 40 GLU- QB 40 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 620, 621,
 igr2= 623, 624,
 &end
#
# 41 ALA HN 40 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 620, 621,
 &end
#
# 66 ILE QG1 40 GLU- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1000,1001,
 igr2= 620, 621,
 &end
#
# 40 GLU- QG 41 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 623, 624,
 &end
#
# 41 ALA HN 41 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 41 ALA HA 41 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 635, 636, 637,
 &end
#
# 42 HIS HN 41 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 633, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 41 ALA HA 43 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 64 SER HN 41 ALA HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 633, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 41 ALA HA 66 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 990, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 41 ALA HA 66 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 996, 997, 998,
 &end
#
# 41 ALA QB 41 ALA HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 635, 636, 637,
 &end
#
# 42 HIS HN 41 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ILE QG1 41 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1000,1001,
 &end
#
# 42 HIS HN 41 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 635, 636, 637,
 &end
#
# 41 ALA QB 43 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 635, 636, 637,
 &end
#
# 43 GLY QA 41 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 660, 661,
 igr2= 635, 636, 637,
 &end
#
# 41 ALA QB 64 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 635, 636, 637,
 &end
#
# 41 ALA QB 64 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 635, 636, 637,
 igr2= 971, 972,
 &end
#
# 41 ALA QB 65 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 635, 636, 637,
 &end
#
# 65 ASP- HN 41 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 635, 636, 637,
 &end
#
# 41 ALA QB 65 ASP- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 635, 636, 637,
 igr2= 982, 983,
 &end
#
# 66 ILE QG1 41 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1000,1001,
 igr2= 635, 636, 637,
 &end
#
# 42 HIS HN 42 HIS QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 645, 646,
 &end
#
# 42 HIS HN 43 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 HIS QB 43 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 645, 646,
 &end
#
# 43 GLY HN 43 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 660, 661,
 &end
#
# 46 PRO QD 43 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 699, 700,
 &end
#
# 64 SER QB 43 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 971, 972,
 &end
#
# 44 LEU HG 43 GLY QA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 660, 661,
 &end
#
# 43 GLY QA 44 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 660, 661,
 &end
#
# 44 LEU QQD 43 GLY QA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 660, 661,
 &end
#
# 43 GLY QA 64 SER HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 660, 661,
 &end
#
# 43 GLY QA 64 SER QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 660, 661,
 igr2= 971, 972,
 &end
#
# 44 LEU HG 44 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 44 LEU HN 44 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 44 LEU HA 44 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 669, 670,
 &end
#
# 44 LEU HA 44 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 45 ASN HN 44 LEU HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 667, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 44 LEU HA 48 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
# 44 LEU HA 49 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 62 GLN QE2 44 LEU HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 948, 949,
 &end
#
# 44 LEU HN 44 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 44 LEU HG 44 LEU QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 669, 670,
 &end
#
# 44 LEU QQD 44 LEU HG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU HG 45 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 LEU HG 46 PRO HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 708, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 49 VAL QQG 44 LEU HG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 60 SER HA 44 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 44 LEU HN 44 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 669, 670,
 &end
#
# 44 LEU QQD 44 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 64 SER HN 44 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 SER QB 44 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 971, 972,
 &end
#
# 44 LEU QB 44 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 669, 670,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QB 45 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 669, 670,
 &end
#
# 44 LEU QB 49 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 669, 670,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 45 ASN HN 44 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 48 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 730, 731, 732,
 &end
#
# 44 LEU QQD 49 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 49 VAL QQG 44 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 60 SER HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 60 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 60 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 915, 916,
 &end
#
# 44 LEU QQD 61 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 62 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 62 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 62 GLN QB 44 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 940, 941,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 62 GLN QE2 44 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 948, 949,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 63 THR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 63 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 44 LEU QQD 63 THR QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 959, 960, 961,
 &end
#
# 44 LEU QQD 64 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 674, 675, 676, 678, 679, 680,
 &end
#
# 64 SER QB 44 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 971, 972,
 igr2= 674, 675, 676, 678, 679, 680,
 &end
#
# 45 ASN HN 45 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 45 ASN HA 45 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 688, 689,
 &end
#
# 45 ASN QD2 45 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 694,
 &end
#
# 45 ASN HA 46 PRO QD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 699, 700,
 &end
#
# 45 ASN HA 46 PRO QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 702, 703,
 &end
#
# 45 ASN HA 47 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 ASN HA 48 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 ASN QB 45 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 688, 689,
 &end
#
# 45 ASN QD2 45 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 694,
 &end
#
# 45 ASN HN 47 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 712, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 45 ASN HN 48 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ALA QB 45 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 730, 731, 732,
 &end
#
# 49 VAL QQG 45 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 45 ASN QB 45 ASN QD2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 688, 689,
 igr2= 693, 694,
 &end
#
# 45 ASN QB 47 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 688, 689,
 &end
#
# 48 ALA QB 45 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 730, 731, 732,
 igr2= 688, 689,
 &end
#
# 45 ASN QB 49 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 688, 689,
 &end
#
# 46 PRO QD 45 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
# 47 ASN QB 45 ASN QD2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 716, 717,
 igr2= 693, 694,
 &end
#
# 45 ASN QD2 47 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 693, 694,
 igr2= 721, 722,
 &end
#
# 45 ASN QD2 48 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 694,
 &end
#
# 45 ASN QD2 48 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 693, 694,
 igr2= 730, 731, 732,
 &end
#
# 46 PRO HA 46 PRO QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 705, 706,
 &end
#
# 46 PRO QD 46 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 699, 700,
 &end
#
# 46 PRO HA 46 PRO QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 702, 703,
 &end
#
# 47 ASN HN 46 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 48 ALA HN 46 PRO HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ALA QB 46 PRO HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 730, 731, 732,
 &end
#
# 46 PRO HA 49 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 VAL HN 46 PRO HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 PRO HA 49 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 50 LYS+ QG 46 PRO HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 759, 760,
 &end
#
# 51 ALA HN 46 PRO HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 708, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 46 PRO QD 46 PRO QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 699, 700,
 igr2= 705, 706,
 &end
#
# 47 ASN HN 46 PRO QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 705, 706,
 &end
#
# 46 PRO QB 49 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 705, 706,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 46 PRO QD 46 PRO QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 699, 700,
 igr2= 702, 703,
 &end
#
# 47 ASN HN 46 PRO QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 699, 700,
 &end
#
# 46 PRO QD 48 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 699, 700,
 &end
#
# 47 ASN HN 46 PRO QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 702, 703,
 &end
#
# 47 ASN HN 47 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 47 ASN HA 47 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 716, 717,
 &end
#
# 47 ASN QD2 47 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 721, 722,
 &end
#
# 47 ASN HA 48 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 47 ASN HA 49 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LYS+ HN 47 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 47 ASN HA 50 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 756, 757,
 &end
#
# 47 ASN HA 50 LYS+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 762, 763,
 &end
#
# 47 ASN HA 51 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 778, 779, 780,
 &end
#
# 47 ASN HN 47 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
# 47 ASN QD2 47 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 721, 722,
 &end
#
# 47 ASN HN 48 ALA HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 47 ASN HN 49 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 49 VAL QQG 47 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 47 ASN QD2 47 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 721, 722,
 igr2= 716, 717,
 &end
#
# 48 ALA HN 47 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
# 47 ASN QB 50 LYS+ QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 716, 717,
 igr2= 756, 757,
 &end
#
# 47 ASN QD2 48 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 721, 722,
 &end
#
# 47 ASN QD2 51 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 721, 722,
 &end
#
# 48 ALA HA 48 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 730, 731, 732,
 &end
#
# 48 ALA HN 48 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 730, 731, 732,
 &end
#
# 48 ALA HN 49 VAL HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 VAL QQG 48 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 59 ILE QD1 48 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 905, 906, 907,
 &end
#
# 49 VAL HN 48 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 730, 731, 732,
 &end
#
# 49 VAL QQG 48 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 730, 731, 732,
 &end
#
# 49 VAL HB 49 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 VAL HA 49 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 VAL HA 49 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 50 LYS+ HN 49 VAL HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET HN 49 VAL HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET QB 49 VAL HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 788, 789,
 &end
#
# 49 VAL HA 59 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 892, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 49 VAL HA 59 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 905, 906, 907,
 &end
#
# 49 VAL HA 59 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 902, 903,
 &end
#
# 49 VAL HA 59 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 898, 899, 900,
 &end
#
# 49 VAL HA 60 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 913, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 49 VAL HA 60 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 911, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 49 VAL HN 49 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 VAL HB 49 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 50 LYS+ HN 49 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 VAL HB 51 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 VAL HN 49 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 50 LYS+ HN 49 VAL HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 VAL HN 51 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 49 VAL HN 51 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 778, 779, 780,
 &end
#
# 49 VAL HN 59 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QG1 49 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
# 50 LYS+ HA 49 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 49 VAL QQG 50 LYS+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 756, 757,
 &end
#
# 49 VAL QQG 53 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 805, 806,
 &end
#
# 53 LYS+ QD 49 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 811, 812,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 58 ASP- HA 49 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 49 VAL QQG 59 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 49 VAL QQG 59 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QG1 49 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 902, 903,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 60 SER HN 49 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
# 49 VAL QQG 60 SER QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 915, 916,
 &end
#
# 49 VAL QQG 61 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 49 VAL QQG 62 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 742, 743, 744, 746, 747, 748,
 &end
#
# 5 ILE HA 5 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5 ILE HA 5 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  72, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5 ILE HA 5 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  85,  86,  87,
 &end
#
# 5 ILE HA 5 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  82,  83,
 &end
#
# 5 ILE HA 5 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  78,  79,  80,
 &end
#
# 6 ILE HN 5 ILE HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  74, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 5 ILE HA 6 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  97,  98,  99,
 &end
#
# 5 ILE HA 75 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE HA 76 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE HN 5 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  76, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 5 ILE QG1 5 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  82,  83,
 &end
#
# 6 ILE HN 5 ILE HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE HB 74 ASN QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
# 5 ILE HB 75 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 75 ALA HN 5 ILE HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE HB 75 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1133,1134,1135,
 &end
#
# 76 ASP- HN 5 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  76, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 LEU HN 5 ILE HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE QD1 5 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  85,  86,  87,
 &end
#
# 5 ILE QG1 5 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  82,  83,
 &end
#
# 6 ILE HN 5 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  72, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE HN 75 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,1131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 ALA QB 5 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1133,1134,1135,
 &end
#
# 5 ILE HN 76 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,1139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 5 ILE HN 76 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1143,1144,
 &end
#
# 5 ILE HN 77 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE QG1 5 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  82,  83,
 igr2=  85,  86,  87,
 &end
#
# 6 ILE HN 5 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  85,  86,  87,
 &end
#
# 71 ILE HA 5 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  85,  86,  87,
 &end
#
# 71 ILE QG2 5 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1069,1070,1071,
 igr2=  85,  86,  87,
 &end
#
# 74 ASN HA 5 ILE QD1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  85,  86,  87,
 &end
#
# 74 ASN QB 5 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1119,1120,
 igr2=  85,  86,  87,
 &end
#
# 74 ASN QD2 5 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1124,1125,
 igr2=  85,  86,  87,
 &end
#
# 75 ALA HA 5 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  85,  86,  87,
 &end
#
# 76 ASP- HN 5 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  85,  86,  87,
 &end
#
# 5 ILE QG1 6 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  82,  83,
 &end
#
# 75 ALA HA 5 ILE QG1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  82,  83,
 &end
#
# 5 ILE QG1 76 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  82,  83,
 &end
#
# 6 ILE HA 5 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  78,  79,  80,
 &end
#
# 6 ILE HN 5 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  78,  79,  80,
 &end
#
# 7 TYR QB 5 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 114, 115,
 igr2=  78,  79,  80,
 &end
#
# 5 ILE QG2 71 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  78,  79,  80,
 igr2=1076,1077,1078,
 &end
#
# 71 ILE QG1 5 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1073,1074,
 igr2=  78,  79,  80,
 &end
#
# 71 ILE QG2 5 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1069,1070,1071,
 igr2=  78,  79,  80,
 &end
#
# 74 ASN QD2 5 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1124,1125,
 igr2=  78,  79,  80,
 &end
#
# 75 ALA HA 5 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  78,  79,  80,
 &end
#
# 75 ALA HN 5 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  78,  79,  80,
 &end
#
# 75 ALA QB 5 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1133,1134,1135,
 igr2=  78,  79,  80,
 &end
#
# 77 LEU HN 5 ILE QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  78,  79,  80,
 &end
#
# 50 LYS+ HN 50 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 754, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 LYS+ HA 50 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 756, 757,
 &end
#
# 50 LYS+ HA 50 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 762, 763,
 &end
#
# 50 LYS+ QE 50 LYS+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 765, 766,
 &end
#
# 50 LYS+ HA 50 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 759, 760,
 &end
#
# 50 LYS+ HA 51 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LYS+ HA 52 MET HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LYS+ HA 53 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 LYS+ HA 53 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 805, 806,
 &end
#
# 50 LYS+ HA 53 LYS+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 811, 812,
 &end
#
# 50 LYS+ HA 54 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LYS+ HN 50 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 756, 757,
 &end
#
# 50 LYS+ QD 50 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 762, 763,
 &end
#
# 50 LYS+ HN 50 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 759, 760,
 &end
#
# 50 LYS+ HN 51 ALA HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 LYS+ QD 50 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 762, 763,
 igr2= 756, 757,
 &end
#
# 51 ALA HN 50 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 756, 757,
 &end
#
# 50 LYS+ QB 51 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757,
 igr2= 778, 779, 780,
 &end
#
# 52 MET HN 50 LYS+ QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 756, 757,
 &end
#
# 52 MET QG 50 LYS+ QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 791, 792,
 igr2= 756, 757,
 &end
#
# 54 GLU- HA 50 LYS+ QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 756, 757,
 &end
#
# 50 LYS+ QD 50 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 762, 763,
 igr2= 759, 760,
 &end
#
# 50 LYS+ QD 51 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 762, 763,
 &end
#
# 54 GLU- QB 50 LYS+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 827, 828,
 igr2= 762, 763,
 &end
#
# 54 GLU- QG 50 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 830, 831,
 igr2= 762, 763,
 &end
#
# 50 LYS+ QG 51 ALA HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 759, 760,
 &end
#
# 50 LYS+ QG 51 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 759, 760,
 &end
#
# 54 GLU- QB 50 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 827, 828,
 igr2= 759, 760,
 &end
#
# 54 GLU- QG 50 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 830, 831,
 igr2= 759, 760,
 &end
#
# 54 GLU- QB 51 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 827, 828,
 &end
#
# 51 ALA HA 55 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 51 ALA HN 51 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 778, 779, 780,
 &end
#
# 51 ALA HN 52 MET HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 52 MET QG 51 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 792,
 &end
#
# 51 ALA HN 53 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE QD1 51 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 905, 906, 907,
 &end
#
# 51 ALA QB 52 MET HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 778, 779, 780,
 &end
#
# 52 MET QB 51 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789,
 igr2= 778, 779, 780,
 &end
#
# 55 VAL QQG 51 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 778, 779, 780,
 &end
#
# 52 MET HA 52 MET HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 52 MET QB 52 MET HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 788, 789,
 &end
#
# 52 MET HA 53 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET HA 54 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET HA 55 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 55 VAL HN 52 MET HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET HA 55 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 52 MET HA 56 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 MET HA 57 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET HA 57 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 MET QB 52 MET HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 788, 789,
 &end
#
# 52 MET QE 52 MET HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 795, 796, 797,
 &end
#
# 52 MET QG 52 MET HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 791, 792,
 &end
#
# 52 MET HN 53 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 801, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 ILE QG2 52 MET HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 867, 868, 869,
 &end
#
# 59 ILE HN 52 MET HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 784, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 59 ILE QD1 52 MET HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 905, 906, 907,
 &end
#
# 52 MET HN 59 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 898, 899, 900,
 &end
#
# 52 MET QG 52 MET QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 791, 792,
 igr2= 788, 789,
 &end
#
# 53 LYS+ HN 52 MET QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 788, 789,
 &end
#
# 52 MET QB 54 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 788, 789,
 &end
#
# 52 MET QB 57 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 788, 789,
 &end
#
# 52 MET QB 57 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 788, 789,
 &end
#
# 52 MET QB 57 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789,
 igr2= 874, 875, 876,
 &end
#
# 52 MET QB 57 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 788, 789,
 igr2= 867, 868, 869,
 &end
#
# 52 MET QB 59 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 788, 789,
 &end
#
# 52 MET QB 59 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 788, 789,
 igr2= 898, 899, 900,
 &end
#
# 52 MET QE 55 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 795, 796, 797,
 &end
#
# 52 MET QE 57 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 795, 796, 797,
 &end
#
# 52 MET QG 53 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
# 52 MET QG 59 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 791, 792,
 igr2= 905, 906, 907,
 &end
#
# 52 MET QG 59 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 791, 792,
 igr2= 898, 899, 900,
 &end
#
# 53 LYS+ HN 53 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 803, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53 LYS+ HA 53 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 805, 806,
 &end
#
# 53 LYS+ HA 53 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 811, 812,
 &end
#
# 53 LYS+ QG 53 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 808, 809,
 &end
#
# 54 GLU- HN 53 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 VAL HN 53 LYS+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 53 LYS+ HA 56 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53 LYS+ HA 57 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53 LYS+ HA 58 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 53 LYS+ HN 53 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 805, 806,
 &end
#
# 53 LYS+ QD 53 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 812,
 &end
#
# 53 LYS+ QG 53 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
# 53 LYS+ HN 54 GLU- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53 LYS+ HN 55 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 53 LYS+ HN 56 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 LYS+ HN 57 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 58 ASP- HA 53 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE HB 53 LYS+ HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 801, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 53 LYS+ HN 59 ILE QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 898, 899, 900,
 &end
#
# 53 LYS+ QB 53 LYS+ QD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 805, 806,
 igr2= 811, 812,
 &end
#
# 53 LYS+ QB 53 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 805, 806,
 igr2= 808, 809,
 &end
#
# 54 GLU- HN 53 LYS+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 805, 806,
 &end
#
# 53 LYS+ QB 55 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 805, 806,
 &end
#
# 57 ILE HN 53 LYS+ QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 805, 806,
 &end
#
# 53 LYS+ QG 54 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
# 53 LYS+ QG 54 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
# 58 ASP- QB 53 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 884, 885,
 igr2= 808, 809,
 &end
#
# 54 GLU- HN 54 GLU- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 825, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 54 GLU- HA 54 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 827, 828,
 &end
#
# 54 GLU- HA 54 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 830, 831,
 &end
#
# 55 VAL HN 54 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 VAL QQG 54 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 56 GLY HN 54 GLU- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 56 GLY QA 54 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 856, 857,
 &end
#
# 54 GLU- HN 54 GLU- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 827, 828,
 &end
#
# 54 GLU- HN 54 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 830, 831,
 &end
#
# 55 VAL HA 54 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 54 GLU- HN 55 VAL HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 VAL QQG 54 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 54 GLU- HN 56 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 54 GLU- QB 54 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 827, 828,
 igr2= 830, 831,
 &end
#
# 55 VAL HN 54 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 827, 828,
 &end
#
# 55 VAL QQG 54 GLU- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 827, 828,
 &end
#
# 54 GLU- QB 56 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 827, 828,
 &end
#
# 55 VAL HN 54 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 830, 831,
 &end
#
# 55 VAL QQG 54 GLU- QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 830, 831,
 &end
#
# 55 VAL HA 55 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 VAL HN 55 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 VAL QQG 55 VAL HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 55 VAL HA 56 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 VAL HA 57 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 VAL HN 55 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 VAL QQG 55 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 55 VAL HB 56 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 55 VAL HB 57 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 ILE QD1 55 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 874, 875, 876,
 &end
#
# 55 VAL QQG 55 VAL HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 55 VAL HN 56 GLY HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 854, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 56 GLY QA 55 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 856, 857,
 &end
#
# 57 ILE HB 55 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 ILE QD1 55 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 874, 875, 876,
 &end
#
# 55 VAL QQG 56 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 56 GLY QA 55 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 856, 857,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 55 VAL QQG 57 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845, 846, 848, 849, 850,
 &end
#
# 55 VAL QQG 57 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 874, 875, 876,
 &end
#
# 57 ILE QG2 55 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 867, 868, 869,
 igr2= 844, 845, 846, 848, 849, 850,
 &end
#
# 56 GLY QA 56 GLY HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 856, 857,
 &end
#
# 57 ILE HA 56 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 ILE QD1 56 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 874, 875, 876,
 &end
#
# 57 ILE QG1 56 GLY HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 871, 872,
 &end
#
# 56 GLY QA 57 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 856, 857,
 &end
#
# 56 GLY QA 58 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 856, 857,
 &end
#
# 57 ILE HA 57 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 ILE HN 57 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 ILE HA 57 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 874, 875, 876,
 &end
#
# 57 ILE HA 57 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 871, 872,
 &end
#
# 57 ILE HA 57 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 867, 868, 869,
 &end
#
# 58 ASP- HN 57 ILE HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 863, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 ILE HN 57 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 ILE QD1 57 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 874, 875, 876,
 &end
#
# 57 ILE QG1 57 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 871, 872,
 &end
#
# 57 ILE HB 57 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 867, 868, 869,
 &end
#
# 57 ILE HB 58 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE HB 57 ILE HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 57 ILE HB 59 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 898, 899, 900,
 &end
#
# 57 ILE HN 57 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 874, 875, 876,
 &end
#
# 57 ILE QG1 57 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 871, 872,
 &end
#
# 57 ILE QG2 57 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 867, 868, 869,
 &end
#
# 57 ILE HN 58 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 ILE QD1 57 ILE QG1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 874, 875, 876,
 igr2= 871, 872,
 &end
#
# 57 ILE QD1 57 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 874, 875, 876,
 igr2= 867, 868, 869,
 &end
#
# 57 ILE QD1 58 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 874, 875, 876,
 &end
#
# 57 ILE QD1 59 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 874, 875, 876,
 igr2= 898, 899, 900,
 &end
#
# 57 ILE QG1 58 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 871, 872,
 &end
#
# 58 ASP- HN 57 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 867, 868, 869,
 &end
#
# 57 ILE QG2 59 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 867, 868, 869,
 &end
#
# 59 ILE HB 57 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 867, 868, 869,
 &end
#
# 59 ILE HN 57 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 867, 868, 869,
 &end
#
# 57 ILE QG2 59 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 867, 868, 869,
 igr2= 898, 899, 900,
 &end
#
# 58 ASP- HN 58 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 58 ASP- HA 58 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 884, 885,
 &end
#
# 59 ILE HN 58 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 882, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 58 ASP- HA 60 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 58 ASP- HA 61 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ASP- QB 58 ASP- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 884, 885,
 &end
#
# 58 ASP- HN 59 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 892, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE QG2 58 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 898, 899, 900,
 &end
#
# 58 ASP- QB 59 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 884, 885,
 &end
#
# 58 ASP- QB 60 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 884, 885,
 &end
#
# 58 ASP- QB 62 GLN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 884, 885,
 &end
#
# 59 ILE HA 59 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 59 ILE HA 59 ILE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 892, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 59 ILE QD1 59 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 905, 906, 907,
 &end
#
# 59 ILE QG1 59 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 903,
 &end
#
# 59 ILE HA 59 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 898, 899, 900,
 &end
#
# 60 SER HN 59 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 59 ILE HA 61 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE HA 61 ASN QD2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 931, 932,
 &end
#
# 62 GLN HA 59 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ILE HA 62 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 ILE HA 62 GLN QE2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 948, 949,
 &end
#
# 59 ILE HA 62 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 943, 944,
 &end
#
# 59 ILE HB 59 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QG1 59 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 902, 903,
 &end
#
# 62 GLN QE2 59 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 948, 949,
 &end
#
# 59 ILE HN 59 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QG1 59 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 902, 903,
 &end
#
# 59 ILE HN 59 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 898, 899, 900,
 &end
#
# 59 ILE HN 60 SER HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ASN HN 59 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ILE QG1 59 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 902, 903,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QD1 60 SER HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 905, 906, 907,
 &end
#
# 59 ILE QD1 60 SER HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 905, 906, 907,
 &end
#
# 59 ILE QD1 62 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 905, 906, 907,
 &end
#
# 62 GLN QE2 59 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 948, 949,
 igr2= 905, 906, 907,
 &end
#
# 59 ILE QG1 60 SER HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 903,
 &end
#
# 59 ILE QG1 60 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
# 62 GLN QE2 59 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 948, 949,
 igr2= 898, 899, 900,
 &end
#
# 6 ILE HA 6 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  95, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 6 ILE HN 6 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 6 ILE HA 6 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 104, 105, 106,
 &end
#
# 6 ILE HA 6 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 101, 102,
 &end
#
# 6 ILE HA 6 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  97,  98,  99,
 &end
#
# 7 TYR HN 6 ILE HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  93, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 6 ILE HA 75 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1133,1134,1135,
 &end
#
# 6 ILE HA 76 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,1139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU HN 6 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 6 ILE HA 77 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1155,1156,
 &end
#
# 77 LEU QQD 6 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1160,1161,1162,1164,1165,1166,
 &end
#
# 6 ILE HN 6 ILE HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 ILE HB 6 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 104, 105, 106,
 &end
#
# 6 ILE QG1 6 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 101, 102,
 &end
#
# 6 ILE HB 6 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  97,  98,  99,
 &end
#
# 7 TYR HN 6 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU QQD 6 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1160,1161,1162,1164,1165,1166,
 &end
#
# 6 ILE QD1 6 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 104, 105, 106,
 &end
#
# 6 ILE QG1 6 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 101, 102,
 &end
#
# 6 ILE HN 6 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  97,  98,  99,
 &end
#
# 6 ILE HN 7 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 ALA QB 6 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1133,1134,1135,
 &end
#
# 6 ILE QD1 6 ILE QG1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 104, 105, 106,
 igr2= 101, 102,
 &end
#
# 6 ILE QD1 6 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 104, 105, 106,
 igr2=  97,  98,  99,
 &end
#
# 6 ILE QD1 7 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 104, 105, 106,
 &end
#
# 77 LEU HG 6 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 104, 105, 106,
 &end
#
# 6 ILE QD1 77 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 104, 105, 106,
 &end
#
# 6 ILE QD1 77 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104, 105, 106,
 igr2=1155,1156,
 &end
#
# 6 ILE QD1 77 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 104, 105, 106,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 79 VAL QQG 6 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2= 104, 105, 106,
 &end
#
# 6 ILE QD1 8 PHE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 104, 105, 106,
 &end
#
# 6 ILE QG1 7 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 101, 102,
 &end
#
# 6 ILE QG1 77 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 101, 102,
 &end
#
# 6 ILE QG1 77 LEU QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 101, 102,
 igr2=1155,1156,
 &end
#
# 6 ILE QG1 77 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 101, 102,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 6 ILE QG1 79 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 101, 102,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 7 TYR HN 6 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  97,  98,  99,
 &end
#
# 79 VAL QQG 6 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=  97,  98,  99,
 &end
#
# 60 SER HA 60 SER HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 911, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 60 SER HA 61 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 922, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 62 GLN HN 60 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 913, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 60 SER QB 60 SER HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 915, 916,
 &end
#
# 61 ASN HA 60 SER HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 SER HN 61 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 922, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 60 SER HN 62 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 60 SER QB 61 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 915, 916,
 &end
#
# 60 SER QB 62 GLN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 915, 916,
 &end
#
# 61 ASN HN 61 ASN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 924, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 61 ASN HA 61 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 926, 927,
 &end
#
# 61 ASN HA 61 ASN QD2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 931, 932,
 &end
#
# 62 GLN HN 61 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 61 ASN HN 61 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 926, 927,
 &end
#
# 61 ASN QD2 61 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 931, 932,
 &end
#
# 62 GLN HA 61 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ASN HN 62 GLN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 936, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 61 ASN HN 62 GLN QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 943, 944,
 &end
#
# 61 ASN QD2 61 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 931, 932,
 igr2= 926, 927,
 &end
#
# 62 GLN HN 61 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 926, 927,
 &end
#
# 62 GLN HN 62 GLN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 62 GLN HA 62 GLN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 940, 941,
 &end
#
# 62 GLN QE2 62 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 948, 949,
 &end
#
# 62 GLN HA 62 GLN QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 943, 944,
 &end
#
# 62 GLN HA 63 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 63 THR QG2 62 GLN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 959, 960, 961,
 &end
#
# 62 GLN QB 62 GLN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 940, 941,
 &end
#
# 62 GLN QE2 62 GLN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 948, 949,
 &end
#
# 62 GLN HN 62 GLN QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 943, 944,
 &end
#
# 62 GLN HN 63 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62 GLN HN 63 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 959, 960, 961,
 &end
#
# 62 GLN QE2 62 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 948, 949,
 igr2= 940, 941,
 &end
#
# 62 GLN QB 63 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 940, 941,
 &end
#
# 62 GLN QE2 62 GLN QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 948, 949,
 igr2= 943, 944,
 &end
#
# 62 GLN QE2 63 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 948, 949,
 &end
#
# 62 GLN QG 63 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 943, 944,
 &end
#
# 63 THR HA 63 THR HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 63 THR QG2 63 THR HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 959, 960, 961,
 &end
#
# 63 THR HA 64 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 967, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 63 THR HB 63 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 63 THR QG2 63 THR HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 959, 960, 961,
 &end
#
# 64 SER HN 63 THR HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 63 THR QG2 63 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 959, 960, 961,
 &end
#
# 63 THR QG2 64 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 959, 960, 961,
 &end
#
# 64 SER HA 65 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 64 SER HN 64 SER QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 971, 972,
 &end
#
# 65 ASP- HN 64 SER HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 64 SER QB 65 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 971, 972,
 &end
#
# 65 ASP- HN 65 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 65 ASP- QB 65 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
# 66 ILE HN 65 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 66 ILE QG1 65 ASP- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1000,1001,
 &end
#
# 65 ASP- HA 67 ILE HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 980,1011, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 67 ILE HN 65 ASP- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1009, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 68 ASP- QB 65 ASP- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1032,1033,
 &end
#
# 65 ASP- HN 65 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 982, 983,
 &end
#
# 65 ASP- HN 66 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 65 ASP- QB 66 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 983,
 &end
#
# 68 ASP- HA 65 ASP- QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 982, 983,
 &end
#
# 66 ILE HA 66 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 66 ILE HA 66 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1003,1004,1005,
 &end
#
# 66 ILE HA 66 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1000,1001,
 &end
#
# 66 ILE HA 66 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 996, 997, 998,
 &end
#
# 66 ILE HA 67 ILE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1009, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 66 ILE HA 67 ILE QG1 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1019,1020,
 &end
#
# 67 ILE QG2 66 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1015,1016,1017,
 &end
#
# 66 ILE HB 66 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 994, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 66 ILE HB 66 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1003,1004,1005,
 &end
#
# 66 ILE HB 66 ILE QG1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1000,1001,
 &end
#
# 66 ILE HB 66 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 996, 997, 998,
 &end
#
# 67 ILE HB 66 ILE HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1013, 994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 ILE HN 66 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 67 ILE QG2 66 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1015,1016,1017,
 &end
#
# 66 ILE QG1 66 ILE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1000,1001,
 &end
#
# 66 ILE QG2 66 ILE HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 996, 997, 998,
 &end
#
# 67 ILE HA 66 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1011, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 ILE HN 66 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 66 ILE QG1 66 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1000,1001,
 igr2=1003,1004,1005,
 &end
#
# 67 ILE HN 66 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1003,1004,1005,
 &end
#
# 67 ILE HN 66 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1000,1001,
 &end
#
# 66 ILE QG1 67 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1000,1001,
 igr2=1015,1016,1017,
 &end
#
# 67 ILE HN 66 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 996, 997, 998,
 &end
#
# 67 ILE HA 67 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 67 ILE HA 67 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1009, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 67 ILE HA 67 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1019,1020,
 &end
#
# 67 ILE HA 67 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1015,1016,1017,
 &end
#
# 68 ASP- HN 67 ILE HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1011, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 67 ILE HN 67 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1013, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 67 ILE HB 67 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1015,1016,1017,
 &end
#
# 67 ILE HB 68 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 67 ILE HB 88 LYS+ QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1310,1311,
 &end
#
# 9 LEU HG 67 ILE HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 67 ILE HN 67 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1019,1020,
 &end
#
# 67 ILE HN 67 ILE QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1015,1016,1017,
 &end
#
# 68 ASP- HN 67 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 67 ILE QG2 67 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1015,1016,1017,
 igr2=1022,1023,1024,
 &end
#
# 67 ILE QD1 92 THR QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1022,1023,1024,
 igr2=1367,1368,1369,
 &end
#
# 68 ASP- HN 67 ILE QG1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1019,1020,
 &end
#
# 67 ILE QG1 71 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1019,1020,
 &end
#
# 78 VAL QQG 67 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1019,1020,
 &end
#
# 88 LYS+ QG 67 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1304,1305,
 igr2=1019,1020,
 &end
#
# 9 LEU HG 67 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1019,1020,
 &end
#
# 68 ASP- HN 67 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1015,1016,1017,
 &end
#
# 7 TYR QE 67 ILE QG2 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 120, 125,
 igr2=1015,1016,1017,
 &end
#
# 9 LEU HG 67 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1015,1016,1017,
 &end
#
# 90 PRO QD 67 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1331,1332,
 igr2=1015,1016,1017,
 &end
#
# 68 ASP- HA 68 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 68 ASP- HA 68 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1032,1033,
 &end
#
# 68 ASP- HA 69 SER HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 68 ASP- HA 70 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 68 ASP- HA 71 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 68 ASP- HN 68 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1032,1033,
 &end
#
# 7 TYR QE 68 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 120, 125,
 &end
#
# 68 ASP- HN 70 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ILE QD1 68 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1076,1077,1078,
 &end
#
# 68 ASP- QB 69 SER HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1032,1033,
 &end
#
# 71 ILE HA 68 ASP- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1032,1033,
 &end
#
# 68 ASP- QB 71 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1032,1033,
 &end
#
# 68 ASP- QB 71 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1032,1033,
 igr2=1076,1077,1078,
 &end
#
# 68 ASP- QB 71 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1032,1033,
 igr2=1073,1074,
 &end
#
# 71 ILE QG2 68 ASP- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1032,1033,
 &end
#
# 69 SER HN 69 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 SER HA 70 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 SER HA 71 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 SER HA 72 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 SER HA 72 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1086,1087,
 &end
#
# 69 SER HA 72 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 73 ASN HN 69 SER HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 SER HA 73 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1110,1111,
 &end
#
# 69 SER QB 69 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1044,1045,
 &end
#
# 69 SER HN 70 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 LEU QB 69 SER HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1086,1087,
 &end
#
# 70 ASP- HN 69 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1044,1045,
 &end
#
# 69 SER QB 71 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1044,1045,
 &end
#
# 72 LEU QQD 69 SER QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1044,1045,
 &end
#
# 69 SER QB 73 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1044,1045,
 &end
#
# 73 ASN QD2 69 SER QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1110,1111,
 igr2=1044,1045,
 &end
#
# 69 SER QB 90 PRO HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1044,1045,
 &end
#
# 69 SER QB 90 PRO QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1044,1045,
 igr2=1334,1335,
 &end
#
# 7 TYR HN 7 TYR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7 TYR HA 7 TYR QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 114, 115,
 &end
#
# 71 ILE QG2 7 TYR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
# 8 PHE HN 7 TYR HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 7 TYR QB 7 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 114, 115,
 &end
#
# 7 TYR HN 75 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1133,1134,1135,
 &end
#
# 77 LEU HG 7 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158, 110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 LEU HN 7 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1151, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU QB 7 TYR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1156,
 &end
#
# 79 VAL QQG 7 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 8 PHE HN 7 TYR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 71 ILE QG2 7 TYR QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1069,1070,1071,
 igr2= 114, 115,
 &end
#
# 72 LEU QB 7 TYR QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1086,1087,
 igr2= 114, 115,
 &end
#
# 7 TYR QB 72 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 114, 115,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 75 ALA QB 7 TYR QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1133,1134,1135,
 igr2= 114, 115,
 &end
#
# 7 TYR QB 78 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 114, 115,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 7 TYR QB 79 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 114, 115,
 &end
#
# 7 TYR QB 8 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 114, 115,
 &end
#
# 7 TYR QB 92 THR QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2=1367,1368,1369,
 &end
#
# 7 TYR QE 71 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 120, 125,
 &end
#
# 7 TYR QE 72 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 120, 125,
 &end
#
# 7 TYR QE 73 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 120, 125,
 &end
#
# 7 TYR QE 8 PHE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 120, 125,
 &end
#
# 70 ASP- HN 70 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1053, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 70 ASP- HA 70 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1055,1056,
 &end
#
# 71 ILE HN 70 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1053, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 72 LEU HN 70 ASP- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 ASN QD2 70 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
# 74 ASN QD2 70 ASP- HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
# 70 ASP- HN 70 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1055,1056,
 &end
#
# 71 ILE HA 70 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ILE HN 70 ASP- HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1051, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 ILE QD1 70 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1076,1077,1078,
 &end
#
# 71 ILE QG1 70 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1073,1074,
 &end
#
# 71 ILE QG2 70 ASP- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1069,1070,1071,
 &end
#
# 70 ASP- HN 72 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 LEU QB 70 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1086,1087,
 &end
#
# 73 ASN HN 70 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 ASP- HN 73 ASN QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1105,1106,
 &end
#
# 71 ILE HN 70 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
# 71 ILE QG1 70 ASP- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1073,1074,
 igr2=1055,1056,
 &end
#
# 70 ASP- QB 72 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1055,1056,
 &end
#
# 71 ILE HA 71 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1067, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71 ILE HN 71 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71 ILE HA 71 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1076,1077,1078,
 &end
#
# 71 ILE HA 71 ILE QG1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1073,1074,
 &end
#
# 71 ILE HA 71 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1069,1070,1071,
 &end
#
# 72 LEU HN 71 ILE HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 73 ASN HN 71 ILE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ILE HA 74 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 71 ILE HA 74 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1119,1120,
 &end
#
# 71 ILE HA 74 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
# 71 ILE HA 75 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ILE HN 71 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 ILE HB 71 ILE QD1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1076,1077,1078,
 &end
#
# 71 ILE QG1 71 ILE HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1073,1074,
 &end
#
# 71 ILE HB 71 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1069,1070,1071,
 &end
#
# 72 LEU HN 71 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1067, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71 ILE HN 71 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1076,1077,1078,
 &end
#
# 71 ILE HN 71 ILE QG1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1073,1074,
 &end
#
# 71 ILE HN 71 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1069,1070,1071,
 &end
#
# 72 LEU HA 71 ILE HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1063, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 71 ILE HN 72 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1082, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73 ASN HN 71 ILE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 71 ILE QD1 71 ILE QG1 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1076,1077,1078,
 igr2=1073,1074,
 &end
#
# 71 ILE QD1 71 ILE QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1076,1077,1078,
 igr2=1069,1070,1071,
 &end
#
# 71 ILE QD1 72 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1076,1077,1078,
 &end
#
# 74 ASN QD2 71 ILE QD1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1124,1125,
 igr2=1076,1077,1078,
 &end
#
# 72 LEU HN 71 ILE QG1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1073,1074,
 &end
#
# 71 ILE QG1 75 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1073,1074,
 igr2=1133,1134,1135,
 &end
#
# 71 ILE QG2 72 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
# 71 ILE QG2 72 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
# 72 LEU QQD 71 ILE QG2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1069,1070,1071,
 &end
#
# 71 ILE QG2 74 ASN HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
# 71 ILE QG2 74 ASN QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1119,1120,
 &end
#
# 74 ASN QD2 71 ILE QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1124,1125,
 igr2=1069,1070,1071,
 &end
#
# 71 ILE QG2 75 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
# 71 ILE QG2 75 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
# 71 ILE QG2 75 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1069,1070,1071,
 igr2=1133,1134,1135,
 &end
#
# 72 LEU HA 72 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 LEU HN 72 LEU HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1084, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 72 LEU QB 72 LEU HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1086,1087,
 &end
#
# 72 LEU HA 72 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 73 ASN HN 72 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 73 ASN QD2 72 LEU HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
# 74 ASN HN 72 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 ALA HN 72 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 LEU HA 75 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1133,1134,1135,
 &end
#
# 72 LEU HA 78 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 72 LEU QQD 72 LEU HG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1091,1092,1093,1095,1096,1097,
 &end
#
# 72 LEU HG 73 ASN QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1105,1106,
 &end
#
# 72 LEU HG 92 THR QG2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1367,1368,1369,
 &end
#
# 72 LEU QB 72 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1086,1087,
 &end
#
# 72 LEU HN 72 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 72 LEU HN 73 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 72 LEU HN 74 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 LEU HN 75 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 LEU QQD 72 LEU QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1086,1087,
 &end
#
# 73 ASN HN 72 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1086,1087,
 &end
#
# 72 LEU QB 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1086,1087,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 92 THR QG2 72 LEU QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1367,1368,1369,
 igr2=1086,1087,
 &end
#
# 73 ASN QD2 72 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1110,1111,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 9 LEU HG 72 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 72 LEU QQD 90 PRO HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1091,1092,1093,1095,1096,1097,
 &end
#
# 72 LEU QQD 90 PRO QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1337,1338,
 &end
#
# 72 LEU QQD 90 PRO QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1334,1335,
 &end
#
# 92 THR HA 72 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1091,1092,1093,1095,1096,1097,
 &end
#
# 73 ASN HN 73 ASN HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73 ASN HA 73 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1105,1106,
 &end
#
# 73 ASN QD2 73 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
# 74 ASN HN 73 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 ALA HN 73 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 92 THR QG2 73 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1367,1368,1369,
 &end
#
# 96 VAL HB 73 ASN HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 VAL QQG 73 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 73 ASN HN 73 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1105,1106,
 &end
#
# 73 ASN QD2 73 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
# 74 ASN HA 73 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1117,1101, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 73 ASN HN 74 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 73 ASN HN 75 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 73 ASN QD2 73 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1110,1111,
 igr2=1105,1106,
 &end
#
# 74 ASN HN 73 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1105,1106,
 &end
#
# 74 ASN QD2 73 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1124,1125,
 igr2=1105,1106,
 &end
#
# 73 ASN QD2 75 ALA HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1110,1111,
 &end
#
# 74 ASN HN 74 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 ASN HA 74 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1119,1120,
 &end
#
# 74 ASN HA 74 ASN QD2 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
# 75 ALA HN 74 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 ASN HN 74 ASN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1119,1120,
 &end
#
# 74 ASN QD2 74 ASN HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
# 74 ASN HN 75 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 ALA HN 74 ASN HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 96 VAL QQG 74 ASN HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 74 ASN QD2 74 ASN QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1124,1125,
 igr2=1119,1120,
 &end
#
# 75 ALA HN 74 ASN QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1119,1120,
 &end
#
# 75 ALA HN 74 ASN QD2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
# 75 ALA HN 75 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 75 ALA HA 75 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1133,1134,1135,
 &end
#
# 76 ASP- HN 75 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 LEU HN 75 ALA HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 ALA HN 75 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1133,1134,1135,
 &end
#
# 75 ALA HN 76 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 ALA HN 77 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 ALA HN 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 96 VAL QQG 75 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 76 ASP- HN 75 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1133,1134,1135,
 &end
#
# 77 LEU HA 75 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1133,1134,1135,
 &end
#
# 77 LEU HN 75 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1133,1134,1135,
 &end
#
# 77 LEU QQD 75 ALA QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1133,1134,1135,
 &end
#
# 78 VAL QQG 75 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1133,1134,1135,
 &end
#
# 96 VAL HA 75 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1133,1134,1135,
 &end
#
# 96 VAL QQG 75 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1426,1427,1428,1430,1431,1432,
 igr2=1133,1134,1135,
 &end
#
# 76 ASP- HN 76 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1143,1144,
 &end
#
# 76 ASP- HN 77 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 LEU QQD 76 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1160,1161,1162,1164,1165,1166,
 &end
#
# 76 ASP- QB 77 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1143,1144,
 &end
#
# 77 LEU QB 76 ASP- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1155,1156,
 igr2=1143,1144,
 &end
#
# 76 ASP- QB 97 LYS+ QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1143,1144,
 igr2=1449,1450,
 &end
#
# 77 LEU HG 77 LEU HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU HA 77 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 77 LEU HA 77 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1155,1156,
 &end
#
# 77 LEU HA 77 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 78 VAL HN 77 LEU HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 LEU HA 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 77 LEU HA 97 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU HG 77 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU HG 77 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1155,1156,
 &end
#
# 77 LEU HG 77 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU HG 78 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 LEU HG 79 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 96 VAL HA 77 LEU HG 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 77 LEU QB 77 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1155,1156,
 &end
#
# 77 LEU QQD 77 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU HN 78 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 97 LYS+ QD 77 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1446,1447,
 &end
#
# 77 LEU QB 77 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1155,1156,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU QB 78 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1155,1156,
 &end
#
# 77 LEU QB 79 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1155,1156,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 97 LYS+ QB 77 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1440,1441,
 igr2=1155,1156,
 &end
#
# 78 VAL HN 77 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU QQD 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 79 VAL HA 77 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU QQD 79 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 97 LYS+ HA 77 LEU QQD 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 97 LYS+ HN 77 LEU QQD 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU QQD 97 LYS+ QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1446,1447,
 &end
#
# 77 LEU QQD 97 LYS+ QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1449,1450,
 &end
#
# 77 LEU QQD 97 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1443,1444,
 &end
#
# 98 ARG+ HA 77 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 99 GLU- HN 77 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 99 GLU- QB 77 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1486,1487,
 igr2=1160,1161,1162,1164,1165,1166,
 &end
#
# 77 LEU QQD 99 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1489,1490,
 &end
#
# 78 VAL HN 78 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 78 VAL HB 78 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 78 VAL HB 79 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 LEU HG 78 VAL HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 158,1174, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 96 VAL QQG 78 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 98 ARG+ HA 78 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 VAL HB 98 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 98 ARG+ QD 78 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1468,1469,
 &end
#
# 99 GLU- HN 78 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 VAL HN 78 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 79 VAL HA 78 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1170, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 78 VAL HN 79 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 VAL QQG 78 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 97 LYS+ HN 78 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1170, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 97 LYS+ QB 78 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1440,1441,
 &end
#
# 78 VAL HN 98 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 VAL HN 98 ARG+ HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 98 ARG+ QG 78 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1465,1466,
 &end
#
# 99 GLU- HN 78 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 VAL HN 78 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 79 VAL QQG 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 78 VAL QQG 80 THR HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1176,1177,1178,1180,1181,1182,
 &end
#
# 78 VAL QQG 9 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1176,1177,1178,1180,1181,1182,
 &end
#
# 9 LEU HN 78 VAL QQG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 78 VAL QQG 9 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2= 155, 156,
 &end
#
# 92 THR HA 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 92 THR HB 78 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 98 ARG+ HA 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 98 ARG+ QB 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1462,1463,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 98 ARG+ QD 78 VAL QQG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1468,1469,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 99 GLU- HN 78 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1176,1177,1178,1180,1181,1182,
 &end
#
# 79 VAL HB 79 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 79 VAL HN 79 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 79 VAL HA 79 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 80 THR HN 79 VAL HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1188, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 VAL HA 98 ARG+ HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL HA 99 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 79 VAL HA 99 GLU- QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1486,1487,
 &end
#
# 79 VAL HN 79 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 VAL QQG 79 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL HB 8 PHE HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1190, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 THR HN 79 VAL HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9 LEU HN 79 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL QQG 79 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 8 PHE HA 79 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 VAL HN 80 THR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL HN 9 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 GLU- HN 79 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 PHE HA 79 VAL QQG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL QQG 80 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL QQG 81 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL QQG 9 LEU HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL QQG 99 GLU- HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL QQG 99 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1196,1197,1198,
 &end
#
# 99 GLU- QB 79 VAL QQG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1486,1487,
 igr2=1192,1193,1194,1196,1197,1198,
 &end
#
# 79 VAL QQG 99 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1489,1490,
 &end
#
# 8 PHE HA 8 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8 PHE QB 8 PHE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 135, 136,
 &end
#
# 8 PHE HA 80 THR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LEU HA 8 PHE HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1218, 133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 8 PHE HA 81 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 PHE HA 81 LEU QQD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 9 LEU HN 8 PHE HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 8 PHE QB 8 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 135, 136,
 &end
#
# 8 PHE QB 81 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 135, 136,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 8 PHE QB 9 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 135, 136,
 &end
#
# 80 THR HA 80 THR HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 THR HA 80 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 THR HA 80 THR QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1208,1209,1210,
 &end
#
# 81 LEU HG 80 THR HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU HN 80 THR HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 80 THR HA 82 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 ALA QB 80 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1269,1270,1271,
 &end
#
# 9 LEU HN 80 THR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 9 LEU QB 80 THR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 155, 156,
 &end
#
# 80 THR HA 99 GLU- HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1482, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 80 THR HB 80 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 80 THR HB 81 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 THR HB 82 CYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 THR HB 85 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1269,1270,1271,
 &end
#
# 80 THR HB 86 ALA HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 80 THR HB 86 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1279,1280,1281,
 &end
#
# 80 THR HN 80 THR QG2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1208,1209,1210,
 &end
#
# 80 THR HN 9 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1202, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 99 GLU- HA 80 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 99 GLU- QB 80 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1486,1487,
 &end
#
# 80 THR QG2 86 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1208,1209,1210,
 &end
#
# 80 THR QG2 86 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1208,1209,1210,
 igr2=1279,1280,1281,
 &end
#
# 81 LEU HA 81 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU HA 81 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU HA 81 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1220,1221,
 &end
#
# 81 LEU HA 81 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 81 LEU HA 82 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU HN 81 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU QB 81 LEU HG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1220,1221,
 &end
#
# 81 LEU QQD 81 LEU HG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 81 LEU HG 9 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1223, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU HN 81 LEU QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1220,1221,
 &end
#
# 81 LEU QQD 81 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
# 85 ALA QB 81 LEU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1269,1270,1271,
 &end
#
# 81 LEU HN 9 LEU HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1216, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 LEU QB 81 LEU QQD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1220,1221,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 81 LEU QB 82 CYS HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1220,1221,
 &end
#
# 9 LEU HN 81 LEU QQD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
# 82 CYS QB 82 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1239,1240,
 &end
#
# 85 ALA QB 82 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1269,1270,1271,
 &end
#
# 83 GLY QA 86 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,
 igr2=1279,1280,1281,
 &end
#
# 86 ALA HN 85 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1269,1270,1271,
 &end
#
# 85 ALA QB 87 ASP- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1269,1270,1271,
 &end
#
# 85 ALA QB 9 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1269,1270,1271,
 &end
#
# 86 ALA HN 86 ALA HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1275,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 86 ALA QB 86 ALA HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1279,1280,1281,
 &end
#
# 86 ALA HA 87 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 ALA HA 88 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 ALA HA 89 CYS QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1323,1324,
 &end
#
# 86 ALA HN 86 ALA QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1279,1280,1281,
 &end
#
# 86 ALA HN 87 ASP- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1275,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87 ASP- HN 86 ALA QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1279,1280,1281,
 &end
#
# 87 ASP- QB 86 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1289,1290,
 igr2=1279,1280,1281,
 &end
#
# 88 LYS+ HN 86 ALA QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1279,1280,1281,
 &end
#
# 9 LEU HG 86 ALA QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1279,1280,1281,
 &end
#
# 87 ASP- HN 87 ASP- HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 87 ASP- HA 87 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1289,1290,
 &end
#
# 88 LYS+ HN 87 ASP- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88 LYS+ QD 87 ASP- HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1307,1308,
 &end
#
# 87 ASP- HN 87 ASP- QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1289,1290,
 &end
#
# 88 LYS+ HN 87 ASP- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88 LYS+ HN 87 ASP- QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1289,1290,
 &end
#
# 88 LYS+ QG 87 ASP- QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1304,1305,
 igr2=1289,1290,
 &end
#
# 88 LYS+ HN 88 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88 LYS+ HA 88 LYS+ QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1301,1302,
 &end
#
# 88 LYS+ HA 88 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1304,1305,
 &end
#
# 88 LYS+ HA 89 CYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88 LYS+ QB 88 LYS+ HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1301,1302,
 &end
#
# 88 LYS+ QD 88 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1307,1308,
 &end
#
# 88 LYS+ HN 88 LYS+ QE 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1310,1311,
 &end
#
# 88 LYS+ HN 88 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1304,1305,
 &end
#
# 88 LYS+ HN 89 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 88 LYS+ QB 88 LYS+ QE 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1301,1302,
 igr2=1310,1311,
 &end
#
# 88 LYS+ QB 89 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1301,1302,
 &end
#
# 88 LYS+ QE 88 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1310,1311,
 igr2=1304,1305,
 &end
#
# 89 CYS HA 89 CYS HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 89 CYS HA 89 CYS QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1323,1324,
 &end
#
# 89 CYS HN 89 CYS QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1323,1324,
 &end
#
# 9 LEU HG 89 CYS QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1323,1324,
 &end
#
# 9 LEU QQD 89 CYS QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 160, 161, 162, 164, 165, 166,
 igr2=1323,1324,
 &end
#
# 90 PRO QD 89 CYS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1331,1332,
 igr2=1323,1324,
 &end
#
# 91 MET HA 89 CYS QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1323,1324,
 &end
#
# 89 CYS QB 98 ARG+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1323,1324,
 igr2=1468,1469,
 &end
#
# 9 LEU HA 9 LEU HG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9 LEU HN 9 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 9 LEU HA 9 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 155, 156,
 &end
#
# 9 LEU HA 9 LEU QQD 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 160, 161, 162, 164, 165, 166,
 &end
#
# 9 LEU HN 9 LEU HG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 LEU QB 9 LEU HG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 155, 156,
 &end
#
# 9 LEU QQD 9 LEU HG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 160, 161, 162, 164, 165, 166,
 &end
#
# 9 LEU QB 9 LEU HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 155, 156,
 &end
#
# 9 LEU QQD 9 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 160, 161, 162, 164, 165, 166,
 igr2= 155, 156,
 &end
#
# 90 PRO HA 90 PRO QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
# 90 PRO QD 90 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1331,1332,
 &end
#
# 90 PRO QG 90 PRO HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1334,1335,
 &end
#
# 91 MET HN 90 PRO HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 92 THR HN 90 PRO HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 90 PRO QB 90 PRO QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
# 91 MET HN 90 PRO QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1337,1338,
 &end
#
# 90 PRO QB 91 MET QG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1337,1338,
 igr2=1351,1352,
 &end
#
# 90 PRO QD 90 PRO QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1331,1332,
 igr2=1334,1335,
 &end
#
# 90 PRO QD 91 MET QB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1331,1332,
 igr2=1348,1349,
 &end
#
# 91 MET HN 90 PRO QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1334,1335,
 &end
#
# 91 MET HN 91 MET HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 91 MET HA 91 MET QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1348,1349,
 &end
#
# 91 MET HA 91 MET QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1351,1352,
 &end
#
# 92 THR HN 91 MET HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 91 MET HN 91 MET QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1351,1352,
 &end
#
# 91 MET QB 91 MET QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1348,1349,
 igr2=1351,1352,
 &end
#
# 91 MET QB 92 THR HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1348,1349,
 &end
#
# 91 MET QB 92 THR HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1348,1349,
 &end
#
# 91 MET QE 91 MET QG 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1355,1356,1357,
 igr2=1351,1352,
 &end
#
# 91 MET QG 92 THR HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1351,1352,
 &end
#
# 92 THR HN 91 MET QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1351,1352,
 &end
#
# 92 THR HA 92 THR HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1363,1365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 92 THR HN 92 THR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 92 THR HA 92 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1367,1368,1369,
 &end
#
# 92 THR HN 92 THR HB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 92 THR HB 92 THR QG2 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1367,1368,1369,
 &end
#
# 96 VAL HB 92 THR HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 92 THR HB 96 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 96 VAL QQG 92 THR HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 92 THR QG2 92 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1367,1368,1369,
 &end
#
# 98 ARG+ QD 92 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1468,1469,
 &end
#
# 92 THR QG2 96 VAL HN 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1367,1368,1369,
 &end
#
# 94 PRO QB 94 PRO HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1396,1397,
 &end
#
# 94 PRO QD 94 PRO HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
# 95 HIS HN 94 PRO HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94 PRO HA 96 VAL HB 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 96 VAL HN 94 PRO HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 97 LYS+ QD 94 PRO HA 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1446,1447,
 &end
#
# 94 PRO QD 94 PRO QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1396,1397,
 &end
#
# 94 PRO QB 95 HIS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1396,1397,
 &end
#
# 94 PRO QB 96 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1396,1397,
 &end
#
# 96 VAL QQG 94 PRO QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1426,1427,1428,1430,1431,1432,
 igr2=1396,1397,
 &end
#
# 94 PRO QD 95 HIS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1390,1391,
 &end
#
# 95 HIS HN 95 HIS HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 95 HIS HA 95 HIS QB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1405,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1407,1408,
 &end
#
# 96 VAL HN 95 HIS HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1405, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 95 HIS HN 95 HIS QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1407,1408,
 &end
#
# 95 HIS HN 96 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 VAL HN 95 HIS QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1407,1408,
 &end
#
# 96 VAL HA 96 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 96 VAL HA 96 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 96 VAL QQG 96 VAL HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 97 LYS+ HN 96 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 96 VAL HN 96 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 96 VAL QQG 96 VAL HB 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 96 VAL HB 97 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 VAL QQG 96 VAL HN 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 97 LYS+ HN 96 VAL HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 VAL QQG 97 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1426,1427,1428,1430,1431,1432,
 &end
#
# 97 LYS+ HN 97 LYS+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 97 LYS+ QB 97 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1440,1441,
 &end
#
# 97 LYS+ HA 97 LYS+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1446,1447,
 &end
#
# 97 LYS+ HA 97 LYS+ QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1443,1444,
 &end
#
# 98 ARG+ HN 97 LYS+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1438, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 LYS+ QB 97 LYS+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1440,1441,
 &end
#
# 97 LYS+ QD 97 LYS+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1446,1447,
 &end
#
# 97 LYS+ HN 97 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1443,1444,
 &end
#
# 97 LYS+ HN 98 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 97 LYS+ QB 97 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1440,1441,
 igr2=1443,1444,
 &end
#
# 97 LYS+ QB 98 ARG+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1440,1441,
 &end
#
# 97 LYS+ QD 97 LYS+ QE 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1446,1447,
 igr2=1449,1450,
 &end
#
# 97 LYS+ QD 97 LYS+ QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1446,1447,
 igr2=1443,1444,
 &end
#
# 98 ARG+ HN 97 LYS+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1446,1447,
 &end
#
# 97 LYS+ QG 97 LYS+ QE 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1443,1444,
 igr2=1449,1450,
 &end
#
# 99 GLU- QG 97 LYS+ QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,
 igr2=1449,1450,
 &end
#
# 97 LYS+ QG 98 ARG+ HA 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1443,1444,
 &end
#
# 97 LYS+ QG 98 ARG+ HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1443,1444,
 &end
#
# 97 LYS+ QG 98 ARG+ QD 1.8 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1443,1444,
 igr2=1468,1469,
 &end
#
# 97 LYS+ QG 99 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1443,1444,
 &end
#
# 99 GLU- QB 97 LYS+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1486,1487,
 igr2=1443,1444,
 &end
#
# 98 ARG+ HN 98 ARG+ HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 98 ARG+ HA 98 ARG+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1462,1463,
 &end
#
# 98 ARG+ HA 98 ARG+ QD 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1468,1469,
 &end
#
# 98 ARG+ HA 98 ARG+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1465,1466,
 &end
#
# 99 GLU- HN 98 ARG+ HA 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 98 ARG+ HN 98 ARG+ QB 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1462,1463,
 &end
#
# 98 ARG+ HN 98 ARG+ QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1468,1469,
 &end
#
# 98 ARG+ HN 98 ARG+ QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1465,1466,
 &end
#
# 99 GLU- HN 98 ARG+ HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 98 ARG+ QD 98 ARG+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1468,1469,
 igr2=1462,1463,
 &end
#
# 98 ARG+ QG 98 ARG+ QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1465,1466,
 igr2=1462,1463,
 &end
#
# 98 ARG+ QB 99 GLU- HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1462,1463,
 &end
#
# 98 ARG+ QD 99 GLU- HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1468,1469,
 &end
#
# 99 GLU- HN 99 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 99 GLU- QB 99 GLU- HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1486,1487,
 &end
#
# 99 GLU- HA 99 GLU- QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1489,1490,
 &end
#
# 99 GLU- QB 99 GLU- HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1486,1487,
 &end
#
# 99 GLU- HN 99 GLU- QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
# 99 GLU- QB 99 GLU- QG 1.8 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1486,1487,
 igr2=1489,1490,
 &end
#
# 31 GLU- HN 0 AMBIG 0  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 478, 479, 475, 476,
 &end
#
# 3 ASN HN 0 AMBIG 1  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  25,  26, 478, 479,
 &end
#
# 50 LYS+ HN 0 AMBIG 2  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 784, 726,
 &end
#
# 50 LYS+ HN 0 AMBIG 3  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 738, 765, 766,
 &end
#
# 4 LYS+ HN 0 AMBIG 4  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=  85,  86,  87,  57,  58,
 &end
#
# 5 ILE HN 0 AMBIG 5  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  60,  61,  54,  55,
 &end
#
# 6 ILE HN 0 AMBIG 6  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 548,1139,
 &end
#
# 6 ILE HN 0 AMBIG 7  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  95, 514, 515,  76,
 &end
#
# 6 ILE HN 0 AMBIG 8  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  97,  98,  99,  78,  79,  80,
 &end
#
# 7 TYR HN 0 AMBIG 9  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 548,1139,
 &end
#
# 7 TYR HN 0 AMBIG 10  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
      1181,1182,
 &end
#
# 8 PHE HN 0 AMBIG 11  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110,1186,
 &end
#
# 8 PHE HN 0 AMBIG 12  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 573, 574, 266, 267,
 &end
#
# 8 PHE HN 0 AMBIG 13  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1225,1226,1227,1229,1230,1231,1133,1134,1135,
      
 &end
#
# 8 PHE HN 0 AMBIG 14  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
 igr2= 101, 102, 538, 539, 540, 542, 543, 544,  97,  98,
        99,
 &end
#
# 8 PHE HN 0 AMBIG 15  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=1176,1177,1178,1180,1181,1182,1225,1226,1227,1229,
      1230,1231,
 &end
#
# 24 ALA HN 0 AMBIG 16  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 347, 948, 949,
 &end
#
# 9 LEU HN 0 AMBIG 17  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 155, 156,1225,1226,1227,1229,1230,1231,
 &end
#
# 24 ALA HN 0 AMBIG 18  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=2005, 538, 539, 540, 542, 543, 544,
 &end
#
# 24 ALA HN 0 AMBIG 19  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 10 CYS HN 0 AMBIG 20  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 597, 211, 212,
 &end
#
# 10 CYS HN 0 AMBIG 21  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 155, 156,1225,1226,1227,1229,1230,1231,
 &end
#
# 10 CYS HN 0 AMBIG 22  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 610, 611, 612,1225,1226,1227,1229,1230,1231,
 &end
#
# 11 THR HN 0 AMBIG 23  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1235,1216,
 &end
#
# 11 THR HN 0 AMBIG 24  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr2= 610, 611, 612,1225,1226,1227,1229,1230,1231,
 &end
#
# 12 GLY HN 0 AMBIG 25  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 181, 170,
 &end
#
# 15 CYS HN 0 AMBIG 26  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr2= 730, 731, 732, 620, 621,
 &end
#
# 15 CYS HN 0 AMBIG 27  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 688, 689, 174, 175, 206, 207,
 &end
#
# 15 CYS HN 0 AMBIG 28  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 277, 278, 245, 246,
 &end
#
# 17 SER HN 0 AMBIG 29  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 240,
 &end
#
# 17 SER HN 0 AMBIG 30  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1220,1221,1223,
 &end
#
# 17 SER HN 0 AMBIG 31  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 18 GLN HN 0 AMBIG 32  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 211, 212, 317,
 &end
#
# 18 GLN HN 0 AMBIG 33  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 266, 267, 292,
 &end
#
# 18 GLN HN 0 AMBIG 34  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 240,
 &end
#
# 18 GLN HN 0 AMBIG 35  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1225,1226,1227,1229,1230,1231, 674, 675, 676, 678,
       679, 680,
 &end
#
# 18 GLN HN 0 AMBIG 36  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
 &end
#
# 19 MET HN 0 AMBIG 37  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 317, 211, 212,
 &end
#
# 19 MET HN 0 AMBIG 38  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 948, 949, 347,
 &end
#
# 19 MET HN 0 AMBIG 39  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 240, 264, 309,
 &end
#
# 19 MET HN 0 AMBIG 40  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 905, 906, 907,1947,1948,1949,1940,1941,1942,
 &end
#
# 20 ALA HN 0 AMBIG 41  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 347, 948, 949,
 &end
#
# 20 ALA HN 0 AMBIG 42  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2= 319, 573, 574, 334, 335,
 &end
#
# 20 ALA HN 0 AMBIG 43  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 309, 240,
 &end
#
# 20 ALA HN 0 AMBIG 44  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 277, 278,1220,1221,1955,1956,
 &end
#
# 20 ALA HN 0 AMBIG 45  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1940,1941,1942,1947,1948,1949,
 &end
#
# 21 GLU- HN 0 AMBIG 46  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 367, 368, 369, 280, 281, 383, 384,
 &end
#
# 21 GLU- HN 0 AMBIG 47  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1940,1941,1942, 905, 906, 907,1947,1948,1949,
 &end
#
# 22 GLY HN 0 AMBIG 48  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 894, 341,
 &end
#
# 22 GLY HN 0 AMBIG 49  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 896, 943, 944,
 &end
#
# 22 GLY HN 0 AMBIG 50  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 383, 384, 280, 281, 367, 368, 369,
 &end
#
# 22 GLY HN 0 AMBIG 51  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 538, 539, 540, 542, 543, 544,2005,
 &end
#
# 22 GLY HN 0 AMBIG 52  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 905, 906, 907,1940,1941,1942,
 &end
#
# 23 TRP HN 0 AMBIG 53  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 365,1885,
 &end
#
# 23 TRP HN 0 AMBIG 54  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 294, 295, 321, 322, 399, 400,
 &end
#
# 23 TRP HN 0 AMBIG 55  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 377, 378, 399, 400,1955,1956,2002,2003,
 &end
#
# 23 TRP HN 0 AMBIG 56  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 383, 384, 440,
 &end
#
# 23 TRP HN 0 AMBIG 57  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr2=2005, 538, 539, 540, 542, 543, 544,
 &end
#
# 23 TRP HN 0 AMBIG 58  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1940,1941,1942, 905, 906, 907,
 &end
#
# 25 LYS+ HN 0 AMBIG 59  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 334, 335, 319,
 &end
#
# 25 LYS+ HN 0 AMBIG 60  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 367, 368, 369, 383, 384,
 &end
#
# 26 GLN HN 0 AMBIG 61  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 399, 400, 377, 378,
 &end
#
# 26 GLN HN 0 AMBIG 62  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 383, 384, 367, 368, 369, 440,
 &end
#
# 27 TYR HN 0 AMBIG 63  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=2002,2003,2078,2079,2080,
 &end
#
# 28 LEU HN 0 AMBIG 64  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 373, 486,
 &end
#
# 28 LEU HN 0 AMBIG 65  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 395, 494,
 &end
#
# 28 LEU HN 0 AMBIG 66  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 397, 454, 455,
 &end
#
# 28 LEU HN 0 AMBIG 67  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2002,2003, 536,
 &end
#
# 28 LEU HN 0 AMBIG 68  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=2078,2079,2080,2002,2003,
 &end
#
# 28 LEU HN 0 AMBIG 69  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 29 GLY HN 0 AMBIG 70  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 440, 367, 368, 369,
 &end
#
# 32 TRP HN 0 AMBIG 71  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 475, 476, 478, 479,
 &end
#
# 33 LYS+ HN 0 AMBIG 72  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=  85,  86,  87,  97,  98,  99,  78,  79,  80, 538,
       539, 540, 542, 543, 544,
 &end
#
# 33 LYS+ HN 0 AMBIG 73  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=  25,  26, 478, 479,
 &end
#
# 33 LYS+ HN 0 AMBIG 74  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=  40,  41,1143,1144,
 &end
#
# 34 VAL HN 0 AMBIG 75  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=  25,  26, 321, 322, 437, 438,
 &end
#
# 35 TYR HN 0 AMBIG 76  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 35 TYR HN 0 AMBIG 77  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  95,  76,
 &end
#
# 35 TYR HN 0 AMBIG 78  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319,1084,
 &end
#
# 36 SER HN 0 AMBIG 79  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 548, 953,
 &end
#
# 36 SER HN 0 AMBIG 80  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 580, 131,
 &end
#
# 37 ALA HN 0 AMBIG 81  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 160, 161, 162, 164, 165, 166, 155, 156,
 &end
#
# 37 ALA HN 0 AMBIG 82  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 135, 136, 206, 207,
 &end
#
# 37 ALA HN 0 AMBIG 83  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 135, 136, 982, 983,
 &end
#
# 38 GLY HN 0 AMBIG 84  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 992, 592, 593,
 &end
#
# 39 ILE HN 0 AMBIG 85  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 603, 604, 605, 635, 636, 637,
 &end
#
# 39 ILE HN 0 AMBIG 86  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 187, 188, 189,1307,1308,
 &end
#
# 39 ILE HN 0 AMBIG 87  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 197, 198, 599,
 &end
#
# 39 ILE HN 0 AMBIG 88  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 170, 181,
 &end
#
# 40 GLU- HN 0 AMBIG 89  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 601, 623, 624,
 &end
#
# 40 GLU- HN 0 AMBIG 90  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 202, 170,
 &end
#
# 47 ASN HN 0 AMBIG 91  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 716, 717, 702, 703,
 &end
#
# 47 ASN HN 0 AMBIG 92  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 708, 728,
 &end
#
# 48 ALA HN 0 AMBIG 93  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 778, 779, 780, 672,
 &end
#
# 48 ALA HN 0 AMBIG 94  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 756, 757, 277, 278,
 &end
#
# 48 ALA HN 0 AMBIG 95  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 705, 706,1810,1811,
 &end
#
# 48 ALA HN 0 AMBIG 96  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 738, 231, 232,
 &end
#
# 48 ALA HN 0 AMBIG 97  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 728, 708,
 &end
#
# 49 VAL HN 0 AMBIG 98  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 672, 778, 779, 780,
 &end
#
# 49 VAL HN 0 AMBIG 99  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 708, 728,
 &end
#
# 51 ALA HN 0 AMBIG 100  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 742, 743, 744, 746, 747, 748, 865,
 &end
#
# 51 ALA HN 0 AMBIG 101  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 716, 717, 294, 295,1830,1831,
 &end
#
# 51 ALA HN 0 AMBIG 102  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 830, 831,1893,1894,
 &end
#
# 51 ALA HN 0 AMBIG 103  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 738, 765, 766,
 &end
#
# 51 ALA HN 0 AMBIG 104  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 776, 728,
 &end
#
# 51 ALA HN 0 AMBIG 105  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 714, 786,
 &end
#
# 51 ALA HN 0 AMBIG 106  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1765,1816,1820,
 &end
#
# 52 MET HN 0 AMBIG 107  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
 &end
#
# 52 MET HN 0 AMBIG 108  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 865, 742, 743, 744, 746, 747, 748,
 &end
#
# 52 MET HN 0 AMBIG 109  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 902, 903, 301, 302, 303,
 &end
#
# 52 MET HN 0 AMBIG 110  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 803, 292,
 &end
#
# 52 MET HN 0 AMBIG 111  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 728,
 &end
#
# 52 MET HN 0 AMBIG 112  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 823, 736,
 &end
#
# 53 LYS+ HN 0 AMBIG 113  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
 &end
#
# 53 LYS+ HN 0 AMBIG 114  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2= 902, 903, 844, 845, 846, 848, 849, 850,
 &end
#
# 53 LYS+ HN 0 AMBIG 115  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 738, 765, 766,
 &end
#
# 53 LYS+ HN 0 AMBIG 116  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 776, 728,
 &end
#
# 54 GLU- HN 0 AMBIG 117  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 54 GLU- HN 0 AMBIG 118  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 811, 812,1890,1891,
 &end
#
# 55 VAL HN 0 AMBIG 119  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2= 808, 809, 778, 779, 780,
 &end
#
# 55 VAL HN 0 AMBIG 120  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 842,1893,1894,
 &end
#
# 55 VAL HN 0 AMBIG 121  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 854, 861,
 &end
#
# 56 GLY HN 0 AMBIG 122  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 57 ILE HN 0 AMBIG 123  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 871, 872, 844, 845, 846, 848, 849, 850,
 &end
#
# 57 ILE HN 0 AMBIG 124  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 805, 806, 399, 400,
 &end
#
# 57 ILE HN 0 AMBIG 125  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 838, 407, 408,
 &end
#
# 58 ASP- HN 0 AMBIG 126  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 871, 872, 902, 903,
 &end
#
# 58 ASP- HN 0 AMBIG 127  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 894, 786,
 &end
#
# 59 ILE HN 0 AMBIG 128  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 896, 943, 944,
 &end
#
# 59 ILE HN 0 AMBIG 129  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 814, 815, 884, 885,
 &end
#
# 60 SER HN 0 AMBIG 130  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
 &end
#
# 60 SER HN 0 AMBIG 131  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 896, 943, 944,
 &end
#
# 60 SER HN 0 AMBIG 132  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 814, 815, 884, 885,
 &end
#
# 61 ASN HN 0 AMBIG 133  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
 &end
#
# 61 ASN HN 0 AMBIG 134  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 943, 944, 896,
 &end
#
# 62 GLN HN 0 AMBIG 135  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2= 902, 903, 959, 960, 961,
 &end
#
# 64 SER HN 0 AMBIG 136  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 220, 221, 275,
 &end
#
# 64 SER HN 0 AMBIG 137  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 980, 686,
 &end
#
# 65 ASP- HN 0 AMBIG 138  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2= 584, 585, 586,1000,1001,
 &end
#
# 65 ASP- HN 0 AMBIG 139  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 990, 631,
 &end
#
# 66 ILE HN 0 AMBIG 140  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 980, 992,
 &end
#
# 67 ILE HN 0 AMBIG 141  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
 &end
#
# 67 ILE HN 0 AMBIG 142  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1000,1001, 584, 585, 586,
 &end
#
# 67 ILE HN 0 AMBIG 143  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 990, 616,
 &end
#
# 68 ASP- HN 0 AMBIG 144  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1019,1020,1091,1092,1093,1095,1096,1097,
 &end
#
# 68 ASP- HN 0 AMBIG 145  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 584, 585, 586,1000,1001,
 &end
#
# 68 ASP- HN 0 AMBIG 146  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1067, 155, 156,
 &end
#
# 68 ASP- HN 0 AMBIG 147  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1019,1020,1086,1087,
 &end
#
# 69 SER HN 0 AMBIG 148  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr2=1019,1020,1091,1092,1093,1095,1096,1097,
 &end
#
# 69 SER HN 0 AMBIG 149  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1032,1033,1105,1106,
 &end
#
# 70 ASP- HN 0 AMBIG 150  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1091,1092,1093,1095,1096,1097,1019,1020,
 &end
#
# 70 ASP- HN 0 AMBIG 151  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1086,1087,1019,1020,
 &end
#
# 71 ILE HN 0 AMBIG 152  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1091,1092,1093,1095,1096,1097,1019,1020,
 &end
#
# 72 LEU HN 0 AMBIG 153  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1091,1092,1093,1095,1096,1097,1019,1020,
 &end
#
# 72 LEU HN 0 AMBIG 154  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1032,1033,1119,1120,
 &end
#
# 73 ASN HN 0 AMBIG 155  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 73 ASN HN 0 AMBIG 156  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1067,1133,1134,1135,
 &end
#
# 74 ASN HN 0 AMBIG 157  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
      1096,1097,
 &end
#
# 74 ASN HN 0 AMBIG 158  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 74 ASN HN 0 AMBIG 159  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1089,1086,1087,
 &end
#
# 74 ASN HN 0 AMBIG 160  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1086,1087,1424,  76,
 &end
#
# 74 ASN HN 0 AMBIG 161  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1119,1120,1105,1106,
 &end
#
# 74 ASN HN 0 AMBIG 162  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1042,
 &end
#
# 75 ALA HN 0 AMBIG 163  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
      1096,1097,
 &end
#
# 75 ALA HN 0 AMBIG 164  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=  85,  86,  87,1176,1177,1178,1180,1181,1182,
 &end
#
# 75 ALA HN 0 AMBIG 165  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 75 ALA HN 0 AMBIG 166  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  76,1424,
 &end
#
# 76 ASP- HN 0 AMBIG 167  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  85,  86,  87,  78,  79,  80,
 &end
#
# 76 ASP- HN 0 AMBIG 168  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1153,1117,
 &end
#
# 77 LEU HN 0 AMBIG 169  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  78,  79,  80, 101, 102,  57,  58,  85,  86,  87,
      
 &end
#
# 77 LEU HN 0 AMBIG 170  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  76,  95,
 &end
#
# 78 VAL HN 0 AMBIG 171  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
      1181,1182,
 &end
#
# 78 VAL HN 0 AMBIG 172  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1468,1469,1449,1450,
 &end
#
# 78 VAL HN 0 AMBIG 173  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1186,1458, 110,
 &end
#
# 79 VAL HN 0 AMBIG 174  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1158,1208,1209,1210, 155, 156,
 &end
#
# 80 THR HN 0 AMBIG 175  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1176,1177,1178,1180,1181,1182,1225,1226,1227,1229,
      1230,1231,
 &end
#
# 80 THR HN 0 AMBIG 176  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1190,1225,1226,1227,1229,1230,1231, 155, 156,
 &end
#
# 81 LEU HN 0 AMBIG 177  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr2=1208,1209,1210, 155, 156, 160, 161, 162, 164, 165,
       166,
 &end
#
# 81 LEU HN 0 AMBIG 178  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 155, 156,1225,1226,1227,1229,1230,1231,1279,1280,
      1281,
 &end
#
# 81 LEU HN 0 AMBIG 179  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1220,1221,1223,
 &end
#
# 81 LEU HN 0 AMBIG 180  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1514,1275,
 &end
#
# 86 ALA HN 0 AMBIG 181  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1277,1248,1249,
 &end
#
# 87 ASP- HN 0 AMBIG 182  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 87 ASP- HN 0 AMBIG 183  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1235,1216,
 &end
#
# 88 LYS+ HN 0 AMBIG 184  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1285,1319,
 &end
#
# 115 GLU- HN 0 AMBIG 185  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1719,1720,1704,1705,
 &end
#
# 115 GLU- HN 0 AMBIG 186  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1707,1708,1722,1723,1692,1693,
 &end
#
# 115 GLU- HN 0 AMBIG 187  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1756,1757,1790,1791,
 &end
#
# 115 GLU- HN 0 AMBIG 188  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1700,1671,
 &end
#
# 92 THR HN 0 AMBIG 189  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1344,1458,
 &end
#
# 92 THR HN 0 AMBIG 190  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2=1176,1177,1178,1180,1181,1182,1091,1092,1093,1095,
      1096,1097,1426,1427,1428,1430,1431,1432,
 &end
#
# 95 HIS HN 0 AMBIG 191  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1407,1408,1390,1391,
 &end
#
# 98 ARG+ HN 0 AMBIG 192  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1468,1469,1449,1450,
 &end
#
# 98 ARG+ HN 0 AMBIG 193  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1443,1444,1462,1463,
 &end
#
# 98 ARG+ HN 0 AMBIG 194  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
      1181,1182,1426,1427,1428,1430,1431,1432,
 &end
#
# 99 GLU- HN 0 AMBIG 195  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1170,1497,
 &end
#
# 99 GLU- HN 0 AMBIG 196  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1458,1186,
 &end
#
# 99 GLU- HN 0 AMBIG 197  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1465,1466,1190,
 &end
#
# 116 LYS+ HN 0 AMBIG 198  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1737,1738,1677,1678,1679,
 &end
#
# 101 TRP HN 0 AMBIG 199  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1225,1226,1227,1229,1230,1231,1279,1280,1281,
 &end
#
# 103 PHE HN 0 AMBIG 200  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1220,1221, 245, 246,
 &end
#
# 104 ASP- HN 0 AMBIG 201  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1569,1570,1549,1550,
 &end
#
# 105 ASP- HN 0 AMBIG 202  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1577,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1569,1570, 251,1626,
 &end
#
# 105 ASP- HN 0 AMBIG 203  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1577,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1617,1618,1620,1621,
 &end
#
# 107 ALA HN 0 AMBIG 204  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1737,1738,1873,1874,1875,1877,1878,1879,
 &end
#
# 107 ALA HN 0 AMBIG 205  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1581,1582,1743,1744,
 &end
#
# 107 ALA HN 0 AMBIG 206  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1599, 248, 249,
 &end
#
# 108 ARG+ HN 0 AMBIG 207  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1617,1618,1620,1621,1607,1608,1609,
 &end
#
# 109 ALA HN 0 AMBIG 208  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1617,1618,1620,1621,
 &end
#
# 109 ALA HN 0 AMBIG 209  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1649,1579,
 &end
#
# 110 GLN HN 0 AMBIG 210  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1617,1618,1620,1621,
 &end
#
# 110 GLN HN 0 AMBIG 211  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1796,1800,1613,
 &end
#
# 110 GLN HN 0 AMBIG 212  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1730,1577,
 &end
#
# 110 GLN HN 0 AMBIG 213  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1732,1599,
 &end
#
# 111 GLY HN 0 AMBIG 214  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1664,  -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr2=1737,1738,1677,1678,1679,
 &end
#
# 112 THR HN 0 AMBIG 215  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1671,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2=1740,1741,1780,1781,1782,
 &end
#
# 113 GLU- HN 0 AMBIG 216  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1677,1678,1679,1737,1738,
 &end
#
# 114 GLU- HN 0 AMBIG 217  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1677,1678,1679,1737,1738,
 &end
#
# 114 GLU- HN 0 AMBIG 218  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr2=1740,1741,1780,1781,1782,
 &end
#
# 114 GLU- HN 0 AMBIG 219  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1704,1705,1689,1690,
 &end
#
# 114 GLU- HN 0 AMBIG 220  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1707,1708,1692,1693,
 &end
#
# 116 LYS+ HN 0 AMBIG 221  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1740,1741,1780,1781,1782,
 &end
#
# 118 ALA HN 0 AMBIG 222  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1704,1705,1830,1831,
 &end
#
# 118 ALA HN 0 AMBIG 223  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1707,1708,1810,1811,1722,1723,
 &end
#
# 118 ALA HN 0 AMBIG 224  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1810,1811,1828,
 &end
#
# 118 ALA HN 0 AMBIG 225  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1702,1788,
 &end
#
# 118 ALA HN 0 AMBIG 226  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1700,1671,
 &end
#
# 118 ALA HN 0 AMBIG 227  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1850,1851,1833,1834,
 &end
#
# 119 PHE HN 0 AMBIG 228  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1737,1738,1873,1874,1875,1877,1878,1879,
 &end
#
# 119 PHE HN 0 AMBIG 229  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1596,1597,1833,1834,
 &end
#
# 119 PHE HN 0 AMBIG 230  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1850,1851,1833,1834,
 &end
#
# 119 PHE HN 0 AMBIG 231  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1760, 721, 722,
 &end
#
# 120 PHE HN 0 AMBIG 232  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1806,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2=1737,1738, 778, 779, 780,
 &end
#
# 120 PHE HN 0 AMBIG 233  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1806,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 721, 722,1760,
 &end
#
# 120 PHE HN 0 AMBIG 234  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1806,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1786,1826,
 &end
#
# 121 GLN HN 0 AMBIG 235  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1873,1874,1875,1877,1878,1879,1737,1738,
 &end
#
# 121 GLN HN 0 AMBIG 236  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1833,1834,1596,1597,
 &end
#
# 121 GLN HN 0 AMBIG 237  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1833,1834,1850,1851,
 &end
#
# 121 GLN HN 0 AMBIG 238  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1810,1811,1828,
 &end
#
# 121 GLN HN 0 AMBIG 239  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1788, 776,
 &end
#
# 121 GLN HN 0 AMBIG 240  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1838,1839,1767,
 &end
#
# 121 GLN HN 0 AMBIG 241  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1760, 721, 722,
 &end
#
# 122 ARG+ HN 0 AMBIG 242  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1833,1834,1596,1597,
 &end
#
# 122 ARG+ HN 0 AMBIG 243  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1911,1912,1926,1927,1893,1894,
 &end
#
# 122 ARG+ HN 0 AMBIG 244  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1828,1810,1811,
 &end
#
# 123 VAL HN 0 AMBIG 245  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1596,1597, 301, 302, 303,
 &end
#
# 123 VAL HN 0 AMBIG 246  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1850,1851,1593,1594,
 &end
#
# 124 ARG+ HN 0 AMBIG 247  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 124 ARG+ HN 0 AMBIG 248  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1593,1594,1833,1834,1850,1851,
 &end
#
# 124 ARG+ HN 0 AMBIG 249  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1887,1888,1871,
 &end
#
# 124 ARG+ HN 0 AMBIG 250  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1893,1894,1926,1927,
 &end
#
# 124 ARG+ HN 0 AMBIG 251  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1828,1893,1894,
 &end
#
# 124 ARG+ HN 0 AMBIG 252  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1826,1953,
 &end
#
# 125 ASP- HN 0 AMBIG 253  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 125 ASP- HN 0 AMBIG 254  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=1873,1874,1875,1877,1878,1879, 844, 845, 846, 848,
       849, 850,
 &end
#
# 125 ASP- HN 0 AMBIG 255  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1833,1834,1850,1851,
 &end
#
# 125 ASP- HN 0 AMBIG 256  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1830,1831, 294, 295,
 &end
#
# 125 ASP- HN 0 AMBIG 257  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1828,1893,1894,
 &end
#
# 125 ASP- HN 0 AMBIG 258  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 354,1974,
 &end
#
# 125 ASP- HN 0 AMBIG 259  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1953,1826,
 &end
#
# 126 GLU- HN 0 AMBIG 260  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 126 GLU- HN 0 AMBIG 261  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1923,1924,1926,1927,
 &end
#
# 126 GLU- HN 0 AMBIG 262  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1926,1927,1911,1912,
 &end
#
# 126 GLU- HN 0 AMBIG 263  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1921,1845,
 &end
#
# 126 GLU- HN 0 AMBIG 264  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1960,1867,
 &end
#
# 127 ILE HN 0 AMBIG 265  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 127 ILE HN 0 AMBIG 266  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1955,1956,1981,1982,
 &end
#
# 127 ILE HN 0 AMBIG 267  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1926,1927,1964,1965,1911,1912,
 &end
#
# 128 GLY HN 0 AMBIG 268  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1953,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1923,1924,1887,1888,
 &end
#
# 128 GLY HN 0 AMBIG 269  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1953,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1926,1927,1893,1894,
 &end
#
# 128 GLY HN 0 AMBIG 270  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1974, 354,
 &end
#
# 129 ASN HN 0 AMBIG 271  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1960,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1940,1941,1942,1947,1948,1949,
 &end
#
# 129 ASN HN 0 AMBIG 272  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1960,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2021,2022,1938,
 &end
#
# 129 ASN HN 0 AMBIG 273  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1960,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1936,1984,1985,
 &end
#
# 129 ASN HN 0 AMBIG 274  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1960,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1969,1970,1557,
 &end
#
# 130 ARG+ HN 0 AMBIG 275  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1940,1941,1942,1947,1948,1949,
 &end
#
# 130 ARG+ HN 0 AMBIG 276  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2021,2022,2005,
 &end
#
# 130 ARG+ HN 0 AMBIG 277  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1936,1984,1985,
 &end
#
# 130 ARG+ HN 0 AMBIG 278  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1976,1962,
 &end
#
# 130 ARG+ HN 0 AMBIG 279  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2017,1934,
 &end
#
# 131 LEU HN 0 AMBIG 280  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1964,1965, 416, 417,1926,1927,
 &end
#
# 131 LEU HN 0 AMBIG 281  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1984,1985,1936,
 &end
#
# 131 LEU HN 0 AMBIG 282  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 343, 344,2058,2059,
 &end
#
# 131 LEU HN 0 AMBIG 283  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2000,1976,
 &end
#
# 132 LYS+ HN 0 AMBIG 284  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2017,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1978,1979,1978,1979,
 &end
#
# 132 LYS+ HN 0 AMBIG 285  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2017,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 416, 417, 343, 344,
 &end
#
# 132 LYS+ HN 0 AMBIG 286  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2017,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1962,2000,1976,
 &end
#
# 133 GLU- HN 0 AMBIG 287  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2019,2133,2134,
 &end
#
# 133 GLU- HN 0 AMBIG 288  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1976,1962,
 &end
#
# 134 PHE HN 0 AMBIG 289  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2021,2022,2005,
 &end
#
# 134 PHE HN 0 AMBIG 290  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2133,2134,2019,
 &end
#
# 134 PHE HN 0 AMBIG 291  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2000,1976,
 &end
#
# 134 PHE HN 0 AMBIG 292  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=2054,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2064,2068,1557,
 &end
#
# 135 ALA HN 0 AMBIG 293  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2074,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=2124,2125,1978,1979, 367, 368, 369,
 &end
#
# 135 ALA HN 0 AMBIG 294  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2074,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=2043,2044, 437, 438,
 &end
#
# 135 ALA HN 0 AMBIG 295  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2074,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2002,2003,1981,1982,
 &end
#
# 135 ALA HN 0 AMBIG 296  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2074,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2000,2086,
 &end
#
# 136 GLU- HN 0 AMBIG 297  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2084,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2056,2101,
 &end
#
# 137 THR HN 0 AMBIG 298  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=2078,2079,2080,2027,2028,
 &end
#
# 137 THR HN 0 AMBIG 299  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2099,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=2091,2092,2046,2047,
 &end
#
# 138 GLY HN 0 AMBIG 300  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=2088,2089,2043,2044,
 &end
#
# 138 GLY HN 0 AMBIG 301  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2088,2089,2046,2047,
 &end
#
# 138 GLY HN 0 AMBIG 302  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2058,2059,1449,1450,
 &end
#
# 138 GLY HN 0 AMBIG 303  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2113,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2086,2000,
 &end
#
# 139 LYS+ HN 0 AMBIG 304  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2120,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=2058,2059,1449,1450,
 &end
#
# 26 GLN QE2 0 AMBIG 305  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 407, 408,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 26 GLN QE2 0 AMBIG 306  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 407, 408,
 igr2= 377, 378, 399, 400,
 &end
#
# 26 GLN QE2 0 AMBIG 307  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 407, 408,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 26 GLN QE2 0 AMBIG 308  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 407, 408,
 igr2= 377, 378, 399, 400,
 &end
#
# 26 GLN QE2 0 AMBIG 309  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 407, 408,
 igr2= 842, 416, 417,
 &end
#
# 129 ASN QD2 0 AMBIG 310  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1969,1970,
 igr2=1926,1927,1923,1924,2046,2047,
 &end
#
# 129 ASN QD2 0 AMBIG 311  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1969,1970,
 igr2=1962,1976,
 &end
#
# 129 ASN QD2 0 AMBIG 312  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1969,1970,
 igr2=1926,1927,1923,1924,2046,2047,
 &end
#
# 129 ASN QD2 0 AMBIG 313  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1969,1970,
 igr2=1962,1976,
 &end
#
# 110 GLN QE2 0 AMBIG 314  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1659,1660,
 igr2=1617,1618,1740,1741,1620,1621,
 &end
#
# 73 ASN QD2 0 AMBIG 315  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1110,1111,
 igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 73 ASN QD2 0 AMBIG 316  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1110,1111,
 igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 73 ASN QD2 0 AMBIG 317  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1110,1111,
 igr2=1086,1087,1424,
 &end
#
# 61 ASN QD2 0 AMBIG 318  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 931, 932,
 igr2= 926, 927, 386, 387,
 &end
#
# 61 ASN QD2 0 AMBIG 319  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 931, 932,
 igr2= 926, 927, 386, 387,
 &end
#
# 74 ASN QD2 0 AMBIG 320  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1124,1125,
 igr2=  85,  86,  87,  78,  79,  80,
 &end
#
# 74 ASN QD2 0 AMBIG 321  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1124,1125,
 igr2=  85,  86,  87,  78,  79,  80,
 &end
#
# 13 ASN QD2 0 AMBIG 322  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 211, 212,
 igr2= 573, 574, 266, 267,
 &end
#
# 13 ASN QD2 0 AMBIG 323  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 211, 212,
 igr2= 573, 574, 266, 267,
 &end
#
# 13 ASN QD2 0 AMBIG 324  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 211, 212,
 igr2= 982, 983, 206, 207,
 &end
#
# 18 GLN QE2 0 AMBIG 325  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 285, 286,
 igr2= 667, 573, 574,
 &end
#
# 18 GLN QE2 0 AMBIG 326  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 285, 286,
 igr2= 667, 573, 574,
 &end
#
# 23 TRP HE1 0 AMBIG 327  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1940,1941,1942,1947,1948,1949,
 &end
#
# 23 TRP HE1 0 AMBIG 328  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,1873,1874,
      1875,1877,1878,1879,
 &end
#
# 23 TRP HE1 0 AMBIG 329  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2=1893,1894,1911,1912, 842,
 &end
#
# 23 TRP HE1 0 AMBIG 330  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1909, 341, 786,
 &end
#
# 23 TRP HE1 0 AMBIG 331  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 354,1974,
 &end
#
# 23 TRP HE1 0 AMBIG 332  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1960,1998,
 &end
#
# 23 TRP HE1 0 AMBIG 333  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1934,1883,
 &end
#
# 32 TRP HE1 0 AMBIG 334  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 440, 367, 368, 369,
 &end
#
# 32 TRP HE1 0 AMBIG 335  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 478, 479, 475, 476,
 &end
#
# 62 GLN QE2 0 AMBIG 336  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 948, 949,
 igr2= 277, 278, 377, 378,
 &end
#
# 62 GLN QE2 0 AMBIG 337  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 948, 949,
 igr2= 940, 941, 324, 325,
 &end
#
# 62 GLN QE2 0 AMBIG 338  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 948, 949,
 igr2= 896, 943, 944,
 &end
#
# 62 GLN QE2 0 AMBIG 339  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 948, 949,
 igr2= 277, 278, 377, 378,
 &end
#
# 62 GLN QE2 0 AMBIG 340  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 948, 949,
 igr2= 940, 941, 324, 325,
 &end
#
# 62 GLN QE2 0 AMBIG 341  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 948, 949,
 igr2= 321, 322, 280, 281,
 &end
#
# 62 GLN QE2 0 AMBIG 342  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 948, 949,
 igr2= 896, 943, 944,
 &end
#
# 62 GLN QE2 0 AMBIG 343  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 948, 949,
 igr2= 334, 335, 319,
 &end
#
# 121 GLN QE2 0 AMBIG 344  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1838,1839,
 igr2=1828,1893,1894,
 &end
#
# 121 GLN QE2 0 AMBIG 345  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1838,1839,
 igr2=1828,1893,1894,
 &end
#
# 101 TRP HE1 0 AMBIG 346  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
      1165,1166,2007,2008,2009,2011,2012,2013,
 &end
#
# 101 TRP HE1 0 AMBIG 347  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1484,2056,
 &end
#
# 117 TRP HE1 0 AMBIG 348  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1756,1757, 765, 766,
 &end
#
# 117 TRP HE1 0 AMBIG 349  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 776,1702,
 &end
#
# 117 TRP HN 0 AMBIG 350  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1700,1671,
 &end
#
# 117 TRP HN 0 AMBIG 351  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 721, 722,1760,
 &end
#
# 117 TRP HN 0 AMBIG 352  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 721, 722,1760,
 &end
#
# 117 TRP HN 0 AMBIG 353  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1692,1693,1707,1708,
 &end
#
# 82 CYS HN 0 AMBIG 354  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1239,1240,1540,1541,
 &end
#
# 82 CYS HN 0 AMBIG 355  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1220,1221,1223,
 &end
#
# 82 CYS HN 0 AMBIG 356  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1279,1280,1281,1225,1226,1227,1229,1230,1231,
 &end
#
# 82 CYS HN 0 AMBIG 357  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1208,1209,1210, 155, 156, 160, 161, 162, 164, 165,
       166,
 &end
#
# 82 CYS HN 0 AMBIG 358  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr2=1225,1226,1227,1229,1230,1231, 610, 611, 612,
 &end
#
# 36 SER QB 0 AMBIG 359  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 573, 574,
 igr2= 321, 322, 324, 325,
 &end
#
# 36 SER QB 0 AMBIG 360  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 573, 574,
 igr2= 580, 131,
 &end
#
# 123 VAL HA 0 AMBIG 361  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1947,1948,1949, 301, 302, 303,
 &end
#
# 123 VAL HA 0 AMBIG 362  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 49 VAL HA 0 AMBIG 363  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 708, 776,
 &end
#
# 49 VAL HA 0 AMBIG 364  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 915, 916, 913, 292,
 &end
#
# 49 VAL HA 0 AMBIG 365  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
 &end
#
# 39 ILE HA 0 AMBIG 366  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2=1019,1020,1269,1270,1271,
 &end
#
# 71 ILE HA 0 AMBIG 367  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 120 PHE HA 0 AMBIG 368  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 120 PHE HA 0 AMBIG 369  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 716, 717, 294, 295,
 &end
#
# 120 PHE HA 0 AMBIG 370  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 728,1605, 776,
 &end
#
# 120 PHE HA 0 AMBIG 371  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1599, 248, 249,
 &end
#
# 120 PHE HA 0 AMBIG 372  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1826,1786,
 &end
#
# 120 PHE HA 0 AMBIG 373  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1806,1867,
 &end
#
# 106 PRO HA 0 AMBIG 374  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 60 SER QB 0 AMBIG 375  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 915, 916,
 igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
# 73 ASN QB 0 AMBIG 376  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1105,1106,
 igr2=1044,1045,1044,1045,
 &end
#
# 69 SER QB 0 AMBIG 377  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1044,1045,
 igr2=1019,1020,1086,1087,
 &end
#
# 69 SER QB 0 AMBIG 378  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1044,1045,
 igr2=1089,1019,1020,
 &end
#
# 69 SER HA 0 AMBIG 379  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1086,1087,1019,1020,
 &end
#
# 69 SER HA 0 AMBIG 380  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1086,1087,1334,1335,
 &end
#
# 60 SER HA 0 AMBIG 381  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 684, 752,
 &end
#
# 60 SER HA 0 AMBIG 382  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 943, 944, 740,
 &end
#
# 60 SER HA 0 AMBIG 383  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
# 16 ARG+ HA 0 AMBIG 384  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1947,1948,1949, 301, 302, 303,
 &end
#
# 16 ARG+ HA 0 AMBIG 385  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 19 MET HA 0 AMBIG 386  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 788, 789, 730, 731, 732,
 &end
#
# 19 MET HA 0 AMBIG 387  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 297, 298, 343, 344,
 &end
#
# 19 MET HA 0 AMBIG 388  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 948, 949, 347,
 &end
#
# 116 LYS+ HA 0 AMBIG 389  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1752,1647,
 &end
#
# 124 ARG+ HA 0 AMBIG 390  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1893,1894,1926,1927,
 &end
#
# 124 ARG+ HA 0 AMBIG 391  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 124 ARG+ HA 0 AMBIG 392  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1947,1948,1949, 301, 302, 303,1940,1941,1942,
 &end
#
# 121 GLN HA 0 AMBIG 393  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1828,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr2= 844, 845, 846, 848, 849, 850,1873,1874,1875,1877,
      1878,1879,1873,1874,1875,1877,1878,1879,
 &end
#
# 121 GLN HA 0 AMBIG 394  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1828,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1893,1894,1911,1912,
 &end
#
# 121 GLN HA 0 AMBIG 395  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1828,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 823, 354,
 &end
#
# 21 GLU- HA 0 AMBIG 396  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 321, 322, 324, 325,
 &end
#
# 53 LYS+ HA 0 AMBIG 397  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
 &end
#
# 53 LYS+ HA 0 AMBIG 398  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 865, 742, 743, 744, 746, 747, 748,
 &end
#
# 53 LYS+ HA 0 AMBIG 399  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 805, 806, 805, 806,
 &end
#
# 53 LYS+ HA 0 AMBIG 400  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 861, 854,
 &end
#
# 122 ARG+ HA 0 AMBIG 401  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1845,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 126 GLU- HA 0 AMBIG 402  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1853,1854,1984,1985,
 &end
#
# 126 GLU- HA 0 AMBIG 403  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1964,1965,1926,1927,
 &end
#
# 126 GLU- HA 0 AMBIG 404  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1926,1927,1923,1924,
 &end
#
# 133 GLU- HA 0 AMBIG 405  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2041,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=2046,2047,2043,2044,2088,2089,
 &end
#
# 133 GLU- HA 0 AMBIG 406  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2041,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2054,2099,
 &end
#
# 115 GLU- HA 0 AMBIG 407  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1722,1723,1719,1720,
 &end
#
# 115 GLU- HA 0 AMBIG 408  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1756,1757,1790,1791,
 &end
#
# 115 GLU- HA 0 AMBIG 409  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1717,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1715,1786,
 &end
#
# 25 LYS+ HA 0 AMBIG 410  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 452, 532,
 &end
#
# 25 LYS+ HA 0 AMBIG 411  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 334, 335, 319,
 &end
#
# 72 LEU HA 0 AMBIG 412  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 18 GLN HA 0 AMBIG 413  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 898, 899, 900, 674, 675, 676, 678, 679, 680,
 &end
#
# 18 GLN HA 0 AMBIG 414  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 324, 325, 321, 322, 280, 281,
 &end
#
# 18 GLN HA 0 AMBIG 415  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 319, 334, 335,
 &end
#
# 18 GLN HA 0 AMBIG 416  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 317, 211, 212,
 &end
#
# 131 LEU HA 0 AMBIG 417  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2064,2068,1557,
 &end
#
# 131 LEU HA 0 AMBIG 418  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=2002,2003,1981,1982,
 &end
#
# 130 ARG+ HA 0 AMBIG 419  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1978,1979,1978,1979,
 &end
#
# 130 ARG+ HA 0 AMBIG 420  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1960,2099,
 &end
#
# 129 ASN HA 0 AMBIG 421  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1962,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2043,2044,2002,2003,1981,1982,
 &end
#
# 129 ASN HA 0 AMBIG 422  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1962,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1911,1912, 416, 417,
 &end
#
# 129 ASN HA 0 AMBIG 423  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1962,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2019,1984,1985,
 &end
#
# 129 ASN HA 0 AMBIG 424  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1962,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2039,1969,1970,
 &end
#
# 24 ALA HA 0 AMBIG 425  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 440, 367, 368, 369,
 &end
#
# 24 ALA HA 0 AMBIG 426  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=2002,2003,2078,2079,2080,
 &end
#
# 24 ALA HA 0 AMBIG 427  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 20 ALA HA 0 AMBIG 428  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 367, 368, 369,1978,1979,
 &end
#
# 20 ALA HA 0 AMBIG 429  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=2002,2003,1955,1956,1220,1221,
 &end
#
# 20 ALA HA 0 AMBIG 430  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 324, 325, 399, 400,
 &end
#
# 135 ALA HA 0 AMBIG 431  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2076,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2099,2054,
 &end
#
# 86 ALA HA 0 AMBIG 432  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1323,1324,1501,1502,
 &end
#
# 86 ALA HA 0 AMBIG 433  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1285,1319,
 &end
#
# 109 ALA HA 0 AMBIG 434  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1740,1741,1620,1621,
 &end
#
# 109 ALA HA 0 AMBIG 435  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1654,1655,1654,1655,
 &end
#
# 109 ALA HA 0 AMBIG 436  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1796,1800,1613,
 &end
#
# 75 ALA HA 0 AMBIG 437  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 75 ALA HA 0 AMBIG 438  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1158,1073,1074,
 &end
#
# 106 PRO QD 0 AMBIG 439  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1590,1591,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 106 PRO QD 0 AMBIG 440  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1590,1591,
 igr2=1593,1594, 245, 246,
 &end
#
# 22 GLY QA 0 AMBIG 441  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 334, 335,
 igr2= 795, 796, 797, 898, 899, 900,
 &end
#
# 22 GLY QA 0 AMBIG 442  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 334, 335,
 igr2= 324, 325, 788, 789, 402, 403, 294, 295,
 &end
#
# 22 GLY QA 0 AMBIG 443  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 334, 335,
 igr2= 795, 796, 797, 898, 899, 900,
 &end
#
# 56 GLY QA 0 AMBIG 444  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 856, 857,
 igr2= 854, 861,
 &end
#
# 56 GLY QA 0 AMBIG 445  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 856, 857,
 igr2= 854, 861,
 &end
#
# 56 GLY QA 0 AMBIG 446  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857,
 igr2= 407, 408, 838,
 &end
#
# 56 GLY QA 0 AMBIG 447  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857,
 igr2= 407, 408, 838,
 &end
#
# 56 GLY QA 0 AMBIG 448  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 856, 857,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 56 GLY QA 0 AMBIG 449  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 856, 857,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 138 GLY QA 0 AMBIG 450  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2115,2116,
 igr2=2099,2054,
 &end
#
# 124 ARG+ QD 0 AMBIG 451  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1893,1894,
 igr2= 827, 828, 294, 295,
 &end
#
# 124 ARG+ QD 0 AMBIG 452  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1893,1894,
 igr2= 354, 823,
 &end
#
# 35 TYR QB 0 AMBIG 453  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 552, 553,
 igr2=  78,  79,  80, 538, 539, 540, 542, 543, 544,  97,
        98,  99,
 &end
#
# 111 GLY QA 0 AMBIG 454  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1666,1667,
 igr2=1677,1678,1679,1737,1738,
 &end
#
# 111 GLY QA 0 AMBIG 455  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1666,1667,
 igr2=1719,1720,1722,1723,
 &end
#
# 103 PHE QB 0 AMBIG 456  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1549,1550,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 38 GLY QA 0 AMBIG 457  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 592, 593,
 igr2= 635, 636, 637, 603, 604, 605,
 &end
#
# 108 ARG+ QD 0 AMBIG 458  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1623,1624,
 igr2=1617,1618,1620,1621,1607,1608,1609,
 &end
#
# 98 ARG+ QD 0 AMBIG 459  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1468,1469,
 igr2=1367,1368,1369,1355,1356,1357,
 &end
#
# 97 LYS+ QE 0 AMBIG 460  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1449,1450,
 igr2=2127,2128,1465,1466,
 &end
#
# 7 TYR QB 0 AMBIG 461  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 114, 115,
 igr2= 110,1186,
 &end
#
# 27 TYR QB 0 AMBIG 462  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 416, 417,
 igr2=2078,2079,2080,2002,2003,
 &end
#
# 120 PHE QB 0 AMBIG 463  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1810,1811,
 igr2=1830,1831, 716, 717,
 &end
#
# 134 PHE QB 0 AMBIG 464  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2058,2059,
 igr2= 501,1522,
 &end
#
# 134 PHE QB 0 AMBIG 465  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=2058,2059,
 igr2=2078,2079,2080,2002,2003,
 &end
#
# 134 PHE QB 0 AMBIG 466  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2058,2059,
 igr2=2005,1486,1487,
 &end
#
# 19 MET QG 0 AMBIG 467  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 297, 298,
 igr2= 292, 248, 249,
 &end
#
# 19 MET QG 0 AMBIG 468  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 297, 298,
 igr2= 791, 792, 135, 136,
 &end
#
# 19 MET QG 0 AMBIG 469  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 297, 298,
 igr2= 730, 731, 732, 245, 246,1871,
 &end
#
# 19 MET QG 0 AMBIG 470  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 297, 298,
 igr2=1940,1941,1942,1947,1948,1949, 301, 302, 303,
 &end
#
# 23 TRP QB 0 AMBIG 471  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 343, 344,
 igr2=2002,2003,1955,1956,
 &end
#
# 23 TRP QB 0 AMBIG 472  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 343, 344,
 igr2=2002,2003,1955,1956,
 &end
#
# 82 CYS QB 0 AMBIG 473  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1239,1240,
 igr2=1547,1516,
 &end
#
# 82 CYS QB 0 AMBIG 474  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1239,1240,
 igr2=1547,1516,
 &end
#
# 117 TRP QB 0 AMBIG 475  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1756,1757,
 igr2=1760, 721, 722,
 &end
#
# 117 TRP QB 0 AMBIG 476  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1756,1757,
 igr2=1760, 721, 722,
 &end
#
# 15 CYS QB 0 AMBIG 477  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 231, 232,
 igr2= 248, 249, 220, 221,
 &end
#
# 15 CYS QB 0 AMBIG 478  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 231, 232,
 igr2= 248, 249, 220, 221,
 &end
#
# 15 CYS QB 0 AMBIG 479  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 231, 232,
 igr2= 730, 731, 732, 245, 246,
 &end
#
# 15 CYS QB 0 AMBIG 480  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 231, 232,
 igr2=1593,1594, 245, 246,
 &end
#
# 15 CYS QB 0 AMBIG 481  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 231, 232,
 igr2=1593,1594, 245, 246,
 &end
#
# 137 THR HB 0 AMBIG 482  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=2103,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=2043,2044,2088,2089,2046,2047,
 &end
#
# 80 THR HB 0 AMBIG 483  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1216,1235,
 &end
#
# 80 THR HB 0 AMBIG 484  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1279,1280,1281, 155, 156,
 &end
#
# 80 THR HB 0 AMBIG 485  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 46 PRO HA 0 AMBIG 486  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 738, 765, 766,
 &end
#
# 46 PRO HA 0 AMBIG 487  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 752, 684,
 &end
#
# 137 THR HA 0 AMBIG 488  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2101,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2043,2044,2046,2047,
 &end
#
# 112 THR HA 0 AMBIG 489  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1671,1700,
 &end
#
# 59 ILE HA 0 AMBIG 490  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 742, 743, 744, 746, 747, 748, 865,
 &end
#
# 59 ILE HA 0 AMBIG 491  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 896, 943, 944,
 &end
#
# 34 VAL HA 0 AMBIG 492  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  97,  98,  99, 538, 539, 540, 542, 543, 544,
 &end
#
# 134 PHE HA 0 AMBIG 493  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2056,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1527,2066,
 &end
#
# 134 PHE HA 0 AMBIG 494  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2056,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2054,2099,
 &end
#
# 119 PHE HA 0 AMBIG 495  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1926,1927,1923,1924,
 &end
#
# 114 GLU- HA 0 AMBIG 496  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1707,1708,1692,1693,
 &end
#
# 63 THR HA 0 AMBIG 497  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 913, 915, 916,
 &end
#
# 63 THR HA 0 AMBIG 498  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 967, 953,
 &end
#
# 23 TRP HA 0 AMBIG 499  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr2=2007,2008,2009,2011,2012,2013, 844, 845, 846, 848,
       849, 850, 898, 899, 900,
 &end
#
# 23 TRP HA 0 AMBIG 500  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 383, 384, 440,
 &end
#
# 23 TRP HA 0 AMBIG 501  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 399, 400, 402, 403,
 &end
#
# 23 TRP HA 0 AMBIG 502  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 343, 344, 343, 344,
 &end
#
# 55 VAL HA 0 AMBIG 503  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 854, 861,
 &end
#
# 50 LYS+ HA 0 AMBIG 504  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
# 50 LYS+ HA 0 AMBIG 505  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 805, 806, 756, 757,
 &end
#
# 50 LYS+ HA 0 AMBIG 506  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 791, 792, 884, 885,
 &end
#
# 31 GLU- HA 0 AMBIG 507  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 475, 476, 475, 476, 478, 479,
 &end
#
# 125 ASP- HA 0 AMBIG 508  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1940,1941,1942,1947,1948,1949,
 &end
#
# 10 CYS HA 0 AMBIG 509  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 10 CYS HA 0 AMBIG 510  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1216,1235,
 &end
#
# 10 CYS HA 0 AMBIG 511  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 181, 170,
 &end
#
# 97 LYS+ HA 0 AMBIG 512  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2=1426,1427,1428,1430,1431,1432,1160,1161,1162,1164,
      1165,1166,1176,1177,1178,1180,1181,1182,
 &end
#
# 92 THR HA 0 AMBIG 513  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1424,1334,1335,
 &end
#
# 92 THR HA 0 AMBIG 514  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 2 GLU- HA 0 AMBIG 515  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=  25,  26, 475, 476,
 &end
#
# 91 MET HA 0 AMBIG 516  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1355,1356,1357,1367,1368,1369,
 &end
#
# 88 LYS+ HA 0 AMBIG 517  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1307,1308,1304,1305,
 &end
#
# 90 PRO QD 0 AMBIG 518  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1331,1332,
 igr2=1299,1346,
 &end
#
# 88 LYS+ HA 0 AMBIG 519  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1337,1338, 601,
 &end
#
# 51 ALA QB 0 AMBIG 520  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 778, 779, 780,
 igr2= 776, 728,
 &end
#
# 51 ALA HA 0 AMBIG 521  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 830, 831,1887,1888,
 &end
#
# 51 ALA HA 0 AMBIG 522  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 830, 831,1893,1894,
 &end
#
# 51 ALA HN 0 AMBIG 523  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 776, 728,
 &end
#
# 51 ALA HN 0 AMBIG 524  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 714, 786,
 &end
#
# 47 ASN HA 0 AMBIG 525  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 716, 717, 759, 760,
 &end
#
# 52 MET HA 0 AMBIG 526  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 827, 828, 896,
 &end
#
# 52 MET HA 0 AMBIG 527  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1887,1888, 830, 831,
 &end
#
# 52 MET HA 0 AMBIG 528  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1893,1894, 842,
 &end
#
# 4 LYS+ HA 0 AMBIG 529  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=  57,  58,  85,  86,  87,
 &end
#
# 73 ASN HA 0 AMBIG 530  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
      1096,1097,
 &end
#
# 73 ASN HA 0 AMBIG 531  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1082,1151,
 &end
#
# 118 ALA HA 0 AMBIG 532  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1833,1834,1850,1851,
 &end
#
# 118 ALA HA 0 AMBIG 533  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1826,1786,
 &end
#
# 110 GLN HA 0 AMBIG 534  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1649,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1654,1655,1654,1655,
 &end
#
# 33 LYS+ HA 0 AMBIG 535  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 520, 521, 520, 521,
 &end
#
# 107 ALA HA 0 AMBIG 536  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1607,1608,1609,1740,1741,
 &end
#
# 5 ILE HA 0 AMBIG 537  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 5 ILE HA 0 AMBIG 538  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 514, 515,  76,
 &end
#
# 5 ILE HA 0 AMBIG 539  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1139, 548,
 &end
#
# 5 ILE HA 0 AMBIG 540  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 510,  72,
 &end
#
# 80 THR HA 0 AMBIG 541  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1176,1177,1178,1180,1181,1182,1225,1226,1227,1229,
      1230,1231,
 &end
#
# 80 THR HA 0 AMBIG 542  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 155, 156,1208,1209,1210,
 &end
#
# 66 ILE HA 0 AMBIG 543  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1000,1001, 584, 585, 586,
 &end
#
# 66 ILE HA 0 AMBIG 544  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 990, 631,
 &end
#
# 6 ILE HA 0 AMBIG 545  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1426,1427,1428,1430,1431,1432,  60,  61,
 &end
#
# 6 ILE HA 0 AMBIG 546  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1139, 548,
 &end
#
# 8 PHE HA 0 AMBIG 547  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1208,1209,1210,1158, 160, 161, 162, 164, 165, 166,
      
 &end
#
# 32 TRP HA 0 AMBIG 548  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 478, 479,  25,  26,
 &end
#
# 32 TRP HA 0 AMBIG 549  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr2=  57,  58,  85,  86,  87,  97,  98,  99, 538, 539,
       540, 542, 543, 544,
 &end
#
# 35 TYR HA 0 AMBIG 550  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 81 LEU HA 0 AMBIG 551  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1220,1221,1223,
 &end
#
# 81 LEU HA 0 AMBIG 552  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1216,1235,
 &end
#
# 98 ARG+ HA 0 AMBIG 553  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1176,1177,1178,1180,1181,1182,1160,1161,1162,1164,
      1165,1166,
 &end
#
# 98 ARG+ HA 0 AMBIG 554  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1462,1463,1462,1463,
 &end
#
# 98 ARG+ HA 0 AMBIG 555  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1174,1424,
 &end
#
# 9 LEU HA 0 AMBIG 556  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1225,1226,1227,1229,1230,1231,1176,1177,1178,1180,
      1181,1182,
 &end
#
# 9 LEU HA 0 AMBIG 557  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 160, 161, 162, 164, 165, 166, 155, 156,
 &end
#
# 45 ASN HA 0 AMBIG 558  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 702, 703, 716, 717,
 &end
#
# 7 TYR HA 0 AMBIG 559  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1176,1177,1178,1180,1181,1182,1160,1161,1162,1164,
      1165,1166,
 &end
#
# 7 TYR HA 0 AMBIG 560  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 101, 102,  97,  98,  99, 538, 539, 540, 542, 543,
       544,
 &end
#
# 7 TYR HA 0 AMBIG 561  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1133,1134,1135,1190,
 &end
#
# 13 ASN HA 0 AMBIG 562  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 982, 983, 135, 136,
 &end
#
# 36 SER HA 0 AMBIG 563  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 104, 105, 106, 160, 161, 162, 164, 165, 166,
 &end
#
# 36 SER HA 0 AMBIG 564  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 321, 322, 324, 325,
 &end
#
# 36 SER HA 0 AMBIG 565  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 153,
 &end
#
# 36 SER HA 0 AMBIG 566  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 131, 580,
 &end
#
# 89 CYS QB 0 AMBIG 567  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1323,1324,
 igr2=1176,1177,1178,1180,1181,1182,1015,1016,1017,
 &end
#
# 89 CYS QB 0 AMBIG 568  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1323,1324,
 igr2=1176,1177,1178,1180,1181,1182,1015,1016,1017,
 &end
#
# 89 CYS QB 0 AMBIG 569  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1323,1324,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 89 CYS QB 0 AMBIG 570  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1323,1324,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 10 CYS QB 0 AMBIG 571  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 174, 175,
 igr2= 155, 156, 187, 188, 189,
 &end
#
# 10 CYS QB 0 AMBIG 572  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 174, 175,
 igr2= 181, 170,
 &end
#
# 55 VAL HB 0 AMBIG 573  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 844, 845, 846, 848, 849, 850, 871, 872,
 &end
#
# 55 VAL HB 0 AMBIG 574  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 861, 854,
 &end
#
# 32 TRP QB 0 AMBIG 575  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 490, 491,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 32 TRP QB 0 AMBIG 576  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 490, 491,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 32 TRP QB 0 AMBIG 577  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 490, 491,
 igr2= 367, 368, 369, 514, 515, 440,
 &end
#
# 32 TRP QB 0 AMBIG 578  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 490, 491,
 igr2= 367, 368, 369, 514, 515, 440,
 &end
#
# 32 TRP QB 0 AMBIG 579  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 490, 491,
 igr2= 437, 438, 475, 476, 475, 476,
 &end
#
# 32 TRP QB 0 AMBIG 580  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 490, 491,
 igr2= 437, 438, 475, 476, 475, 476,
 &end
#
# 126 GLU- QG 0 AMBIG 581  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1926,1927,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 54 GLU- QG 0 AMBIG 582  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 830, 831,
 igr2= 778, 779, 780, 808, 809,
 &end
#
# 54 GLU- QG 0 AMBIG 583  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 830, 831,
 igr2= 778, 779, 780, 808, 809,
 &end
#
# 114 GLU- QG 0 AMBIG 584  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1707,1708,
 igr2=1704,1705,1689,1690,
 &end
#
# 115 GLU- QG 0 AMBIG 585  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1722,1723,
 igr2=1715,1786,
 &end
#
# 115 GLU- QG 0 AMBIG 586  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1722,1723,
 igr2=1780,1781,1782,1740,1741,
 &end
#
# 115 GLU- QG 0 AMBIG 587  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1722,1723,
 igr2=1677,1678,1679,1737,1738,
 &end
#
# 129 ASN QB 0 AMBIG 588  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1964,1965,
 igr2=2043,2044,2002,2003,
 &end
#
# 129 ASN QB 0 AMBIG 589  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1964,1965,
 igr2=2043,2044,2002,2003,
 &end
#
# 129 ASN QB 0 AMBIG 590  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1964,1965,
 igr2=2021,2022,1938,
 &end
#
# 129 ASN QB 0 AMBIG 591  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1964,1965,
 igr2=2021,2022,1938,
 &end
#
# 73 ASN QB 0 AMBIG 592  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1105,1106,
 igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
      1096,1097,
 &end
#
# 73 ASN QB 0 AMBIG 593  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1105,1106,
 igr2=1424,1334,1335,1086,1087,
 &end
#
# 73 ASN QB 0 AMBIG 594  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1105,1106,
 igr2=1129,1063,
 &end
#
# 3 ASN QB 0 AMBIG 595  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  40,  41,
 igr2=  57,  58,  85,  86,  87,
 &end
#
# 3 ASN QB 0 AMBIG 596  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  40,  41,
 igr2=  57,  58,  85,  86,  87,
 &end
#
# 3 ASN QB 0 AMBIG 597  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  40,  41,
 igr2= 510,  72,
 &end
#
# 3 ASN QB 0 AMBIG 598  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  40,  41,
 igr2= 510,  72,
 &end
#
# 27 TYR QB 0 AMBIG 599  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 416, 417,
 igr2=2078,2079,2080,2002,2003,
 &end
#
# 74 ASN QB 0 AMBIG 600  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1119,1120,
 igr2=  85,  86,  87,  78,  79,  80,
 &end
#
# 74 ASN QB 0 AMBIG 601  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1119,1120,
 igr2=  85,  86,  87,  78,  79,  80,
 &end
#
# 76 ASP- QB 0 AMBIG 602  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1143,1144,
 igr2=  57,  58,  85,  86,  87,
 &end
#
# 104 ASP- QB 0 AMBIG 603  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1569,1570,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 104 ASP- QB 0 AMBIG 604  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1569,1570,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 68 ASP- QB 0 AMBIG 605  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1032,1033,
 igr2=1082, 990,
 &end
#
# 68 ASP- QB 0 AMBIG 606  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1032,1033,
 igr2=1082, 990,
 &end
#
# 33 LYS+ QE 0 AMBIG 607  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 523, 524,
 igr2=  85,  86,  87, 538, 539, 540, 542, 543, 544,
 &end
#
# 88 LYS+ QE 0 AMBIG 608  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1310,1311,
 igr2=1307,1308,1304,1305,
 &end
#
# 124 ARG+ QD 0 AMBIG 609  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1893,1894,
 igr2= 827, 828, 294, 295,
 &end
#
# 124 ARG+ QD 0 AMBIG 610  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1893,1894,
 igr2= 354, 823,
 &end
#
# 35 TYR QB 0 AMBIG 611  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 552, 553,
 igr2=  78,  79,  80, 538, 539, 540, 542, 543, 544,  97,
        98,  99,
 &end
#
# 132 LYS+ HA 0 AMBIG 612  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1962,1976,
 &end
#
# 132 LYS+ HA 0 AMBIG 613  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=2019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1998, 412,
 &end
#
# 127 ILE HA 0 AMBIG 614  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1936,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1998,1960,
 &end
#
# 128 GLY QA 0 AMBIG 615  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1955,1956,
 igr2=1909, 341,
 &end
#
# 128 GLY QA 0 AMBIG 616  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1955,1956,
 igr2=2000,1976,
 &end
#
# 128 GLY QA 0 AMBIG 617  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1955,1956,
 igr2=1960,1998,
 &end
#
# 128 GLY QA 0 AMBIG 618  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1955,1956,
 igr2=2017,1934,
 &end
#
# 72 LEU QB 0 AMBIG 619  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1086,1087,
 igr2=1032,1033,1105,1106,
 &end
#
# 72 LEU QB 0 AMBIG 620  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1086,1087,
 igr2= 155, 156,1073,1074,
 &end
#
# 5 ILE HB 0 AMBIG 621  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 4 LYS+ QE 0 AMBIG 622  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  63,  64,
 igr2= 475, 476,1440,1441,
 &end
#
# 7 TYR QB 0 AMBIG 623  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 114, 115,
 igr2= 110,1186,
 &end
#
# 28 LEU QB 0 AMBIG 624  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 437, 438,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 28 LEU QB 0 AMBIG 625  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 28 LEU QB 0 AMBIG 626  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 437, 438,
 igr2= 440, 367, 368, 369,
 &end
#
# 28 LEU QB 0 AMBIG 627  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 437, 438,
 igr2= 440, 367, 368, 369,
 &end
#
# 6 ILE HB 0 AMBIG 628  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 101, 102,  97,  98,  99,
 &end
#
# 120 PHE QB 0 AMBIG 629  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1810,1811,
 igr2=1830,1831, 716, 717,
 &end
#
# 66 ILE HB 0 AMBIG 630  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 996, 997, 998,1003,1004,1005,
 &end
#
# 66 ILE HB 0 AMBIG 631  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 990, 631,
 &end
#
# 59 ILE HB 0 AMBIG 632  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 898, 899, 900, 674, 675, 676, 678, 679, 680,
 &end
#
# 39 ILE HB 0 AMBIG 633  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 599, 197, 198,
 &end
#
# 115 GLU- QG 0 AMBIG 634  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1722,1723,
 igr2=1715,1786,
 &end
#
# 115 GLU- QG 0 AMBIG 635  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1722,1723,
 igr2=1780,1781,1782,1740,1741,
 &end
#
# 115 GLU- QG 0 AMBIG 636  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1722,1723,
 igr2=1677,1678,1679,1737,1738,
 &end
#
# 99 GLU- QG 0 AMBIG 637  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1489,1490,
 igr2=2066,1527,
 &end
#
# 99 GLU- QG 0 AMBIG 638  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1489,1490,
 igr2=1497,1170,
 &end
#
# 78 VAL HB 0 AMBIG 639  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1186, 110,
 &end
#
# 78 VAL HB 0 AMBIG 640  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 33 LYS+ QB 0 AMBIG 641  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 514, 515,
 igr2=  85,  86,  87,  78,  79,  80,
 &end
#
# 50 LYS+ QB 0 AMBIG 642  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 756, 757,
 igr2= 708, 728,
 &end
#
# 19 MET QB 0 AMBIG 643  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 294, 295,
 igr2= 301, 302, 303, 905, 906, 907,
 &end
#
# 110 GLN QG 0 AMBIG 644  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1654,1655,
 igr2=1740,1741,1617,1618,
 &end
#
# 110 GLN QG 0 AMBIG 645  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1654,1655,
 igr2=1740,1741,1617,1618,
 &end
#
# 96 VAL HB 0 AMBIG 646  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1361,1151,
 &end
#
# 123 VAL HB 0 AMBIG 647  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 90 PRO QB 0 AMBIG 648  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1337,1338,
 igr2=1044,1045,1044,1045,
 &end
#
# 49 VAL QQG 0 AMBIG 649  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 805, 806, 705, 706,
 &end
#
# 90 PRO QB 0 AMBIG 650  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1337,1338,
 igr2=1044,1045,1044,1045,
 &end
#
# 49 VAL HB 0 AMBIG 651  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
# 53 LYS+ QB 0 AMBIG 652  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806,
 igr2= 776, 708, 728,
 &end
#
# 54 GLU- QB 0 AMBIG 653  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 827, 828,
 igr2= 808, 809, 778, 779, 780,
 &end
#
# 21 GLU- QB 0 AMBIG 654  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 321, 322,
 igr2= 573, 574, 319,
 &end
#
# 52 MET QB 0 AMBIG 655  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 788, 789,
 igr2= 896, 740,
 &end
#
# 25 LYS+ QD 0 AMBIG 656  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 383, 384,
 igr2= 377, 378, 536,
 &end
#
# 81 LEU HG 0 AMBIG 657  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 24 ALA QB 0 AMBIG 658  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 367, 368, 369,
 igr2= 538, 539, 540, 542, 543, 544,  97,  98,  99,
 &end
#
# 24 ALA QB 0 AMBIG 659  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 367, 368, 369,
 igr2= 343, 344, 343, 344, 416, 417,
 &end
#
# 24 ALA QB 0 AMBIG 660  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 367, 368, 369,
 igr2= 395, 494,
 &end
#
# 48 ALA QB 0 AMBIG 661  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 730, 731, 732,
 igr2= 301, 302, 303, 905, 906, 907,
 &end
#
# 48 ALA QB 0 AMBIG 662  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 730, 731, 732,
 igr2= 294, 295, 716, 717,
 &end
#
# 48 ALA QB 0 AMBIG 663  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 730, 731, 732,
 igr2= 688, 689, 791, 792,
 &end
#
# 48 ALA QB 0 AMBIG 664  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 730, 731, 732,
 igr2= 292, 699, 700,
 &end
#
# 48 ALA QB 0 AMBIG 665  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 730, 731, 732,
 igr2= 684, 752,
 &end
#
# 107 ALA QB 0 AMBIG 666  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1607,1608,1609,
 igr2=1590,1591, 220, 221,
 &end
#
# 85 ALA QB 0 AMBIG 667  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1269,1270,1271,
 igr2= 181, 170,
 &end
#
# 85 ALA QB 0 AMBIG 668  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1269,1270,1271,
 igr2=1235,1216,
 &end
#
# 85 ALA QB 0 AMBIG 669  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1269,1270,1271,
 igr2= 160, 161, 162, 164, 165, 166,1208,1209,1210, 155,
       156,
 &end
#
# 118 ALA QB 0 AMBIG 670  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1780,1781,1782,
 igr2=1756,1757,1790,1791,
 &end
#
# 118 ALA QB 0 AMBIG 671  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1780,1781,1782,
 igr2=1722,1723,1707,1708,
 &end
#
# 118 ALA QB 0 AMBIG 672  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1780,1781,1782,
 igr2=1830,1831,1719,1720,1704,1705,
 &end
#
# 77 LEU QB 0 AMBIG 673  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1155,1156,
 igr2= 101, 102,  57,  58,
 &end
#
# 77 LEU QB 0 AMBIG 674  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1155,1156,
 igr2=  95,1446,1447,
 &end
#
# 77 LEU QB 0 AMBIG 675  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1155,1156,
 igr2= 110,1458,
 &end
#
# 57 ILE HB 0 AMBIG 676  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
 &end
#
# 57 ILE HB 0 AMBIG 677  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 803, 292,
 &end
#
# 67 ILE HB 0 AMBIG 678  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
 &end
#
# 67 ILE HB 0 AMBIG 679  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998, 603, 604, 605,
 &end
#
# 67 ILE HB 0 AMBIG 680  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 584, 585, 586,1000,1001,
 &end
#
# 67 ILE HB 0 AMBIG 681  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 994,1301,1302,
 &end
#
# 127 ILE HB 0 AMBIG 682  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1940,1941,1942,1947,1948,1949,
 &end
#
# 127 ILE HB 0 AMBIG 683  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=2002,2003,1981,1982,
 &end
#
# 79 VAL HB 0 AMBIG 684  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
      1165,1166,1176,1177,1178,1180,1181,1182,
 &end
#
# 106 PRO QB 0 AMBIG 685  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1596,1597,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 50 LYS+ QD 0 AMBIG 686  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 762, 763,
 igr2= 756, 757, 805, 806, 705, 706,
 &end
#
# 50 LYS+ QD 0 AMBIG 687  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 762, 763,
 igr2= 756, 757, 805, 806, 705, 706,
 &end
#
# 67 ILE QG1 0 AMBIG 688  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1019,1020,
 igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
 &end
#
# 5 ILE QG1 0 AMBIG 689  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  82,  83,
 igr2= 514, 515,  76,
 &end
#
# 5 ILE QG1 0 AMBIG 690  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  82,  83,
 igr2=  72, 510,
 &end
#
# 33 LYS+ QD 0 AMBIG 691  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 520, 521,
 igr2= 510,  72,
 &end
#
# 33 LYS+ QD 0 AMBIG 692  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 520, 521,
 igr2= 510,  72,
 &end
#
# 81 LEU QQD 0 AMBIG 693  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1978,1979,1486,1487,
 &end
#
# 81 LEU QQD 0 AMBIG 694  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1220,1221,1223,
 &end
#
# 81 LEU QQD 0 AMBIG 695  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1216,1235,
 &end
#
# 81 LEU QQD 0 AMBIG 696  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2= 307, 170,
 &end
#
# 106 PRO QG 0 AMBIG 697  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1593,1594,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 106 PRO QG 0 AMBIG 698  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1593,1594,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 106 PRO QG 0 AMBIG 699  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1593,1594,
 igr2= 245, 246, 730, 731, 732,
 &end
#
# 106 PRO QG 0 AMBIG 700  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1593,1594,
 igr2=1808, 240,
 &end
#
# 66 ILE QG1 0 AMBIG 701  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1000,1001,
 igr2= 990, 631,
 &end
#
# 66 ILE QG1 0 AMBIG 702  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1000,1001,
 igr2= 990, 631,
 &end
#
# 98 ARG+ QG 0 AMBIG 703  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1465,1466,
 igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 25 LYS+ QG 0 AMBIG 704  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 380, 381,
 igr2= 377, 378, 536,
 &end
#
# 127 ILE QG1 0 AMBIG 705  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1944,1945,
 igr2=1936,1984,1985,
 &end
#
# 50 LYS+ QG 0 AMBIG 706  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 759, 760,
 igr2= 756, 757, 805, 806,
 &end
#
# 81 LEU QQD 0 AMBIG 707  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1220,1221,1223,
 &end
#
# 81 LEU QQD 0 AMBIG 708  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1947,1948,1949,1940,1941,1942,
 &end
#
# 37 ALA QB 0 AMBIG 709  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 584, 585, 586,
 igr2= 170, 202,
 &end
#
# 37 ALA QB 0 AMBIG 710  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 584, 585, 586,
 igr2=1019,1020,1086,1087,
 &end
#
# 123 VAL QQG 0 AMBIG 711  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1579,1567,
 &end
#
# 123 VAL QQG 0 AMBIG 712  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2= 248, 249,1599,
 &end
#
# 123 VAL QQG 0 AMBIG 713  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2= 240,1808,
 &end
#
# 123 VAL QQG 0 AMBIG 714  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1938,1850,1851,
 &end
#
# 123 VAL QQG 0 AMBIG 715  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1947,1948,1949, 301, 302, 303,
 &end
#
# 72 LEU QQD 0 AMBIG 716  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1086,1087,1334,1335,
 &end
#
# 72 LEU QQD 0 AMBIG 717  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1133,1134,1135,1465,1466, 155, 156,
 &end
#
# 72 LEU QQD 0 AMBIG 718  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1091,1092,1093,1095,1096,1097,
 igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
 &end
#
# 44 LEU QQD 0 AMBIG 719  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 936, 736,
 &end
#
# 44 LEU QQD 0 AMBIG 720  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 913, 915, 916,
 &end
#
# 44 LEU QQD 0 AMBIG 721  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 896, 943, 944,
 &end
#
# 77 LEU QQD 0 AMBIG 722  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1458, 110,
 &end
#
# 77 LEU QQD 0 AMBIG 723  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2= 503,2064,2068,
 &end
#
# 77 LEU QQD 0 AMBIG 724  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=1484,2056,
 &end
#
# 77 LEU QQD 0 AMBIG 725  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=  95,1446,1447,
 &end
#
# 78 VAL QQG 0 AMBIG 726  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
 &end
#
# 78 VAL QQG 0 AMBIG 727  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1465,1466, 155, 156,
 &end
#
# 78 VAL QQG 0 AMBIG 728  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1174,1086,1087,
 &end
#
# 78 VAL QQG 0 AMBIG 729  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2= 112, 153,
 &end
#
# 78 VAL QQG 0 AMBIG 730  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1151,1082,1319,
 &end
#
# 92 THR QG2 0 AMBIG 731  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1367,1368,1369,
 igr2=1424,1174,
 &end
#
# 92 THR QG2 0 AMBIG 732  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1367,1368,1369,
 igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
      1431,1432,1176,1177,1178,1180,1181,1182,
 &end
#
# 8 PHE HA 0 AMBIG 733  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1208,1209,1210,1158, 160, 161, 162, 164, 165, 166,
      
 &end
#
# 79 VAL HA 0 AMBIG 734  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1208,1209,1210,1158,
 &end
#
# 89 CYS HA 0 AMBIG 735  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 160, 161, 162, 164, 165, 166,1208,1209,1210,
 &end
#
# 80 THR HB 0 AMBIG 736  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 89 CYS QB 0 AMBIG 737  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1323,1324,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 89 CYS QB 0 AMBIG 738  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1323,1324,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 9 LEU QB 0 AMBIG 739  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 155, 156,
 igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
 &end
#
# 9 LEU HG 0 AMBIG 740  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 160, 161, 162, 164, 165, 166,1208,1209,1210,
 &end
#
# 49 VAL QQG 0 AMBIG 741  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 752, 684,
 &end
#
# 49 VAL QQG 0 AMBIG 742  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 726, 784,
 &end
#
# 49 VAL QQG 0 AMBIG 743  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 894, 714,
 &end
#
# 49 VAL QQG 0 AMBIG 744  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 915, 916, 913,
 &end
#
# 49 VAL QQG 0 AMBIG 745  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 940, 941, 702, 703,
 &end
#
# 49 VAL QQG 0 AMBIG 746  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 805, 806, 756, 757, 705, 706, 277, 278,
 &end
#
# 49 VAL QQG 0 AMBIG 747  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 730, 731, 732, 788, 789,
 &end
#
# 49 VAL QQG 0 AMBIG 748  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 669, 670, 808, 809,
 &end
#
# 49 VAL QQG 0 AMBIG 749  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 672, 808, 809,
 &end
#
# 63 THR QG2 0 AMBIG 750  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 959, 960, 961,
 igr2= 953, 967,
 &end
#
# 63 THR QG2 0 AMBIG 751  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 959, 960, 961,
 igr2= 955, 957,
 &end
#
# 112 THR QG2 0 AMBIG 752  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1677,1678,1679,
 igr2=1719,1720,1722,1723,
 &end
#
# 55 VAL QQG 0 AMBIG 753  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 861, 854,
 &end
#
# 55 VAL QQG 0 AMBIG 754  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 838, 407, 408,
 &end
#
# 55 VAL QQG 0 AMBIG 755  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2=1893,1894, 842,
 &end
#
# 49 VAL QQG 0 AMBIG 756  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 752, 684,
 &end
#
# 49 VAL QQG 0 AMBIG 757  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 726, 784,
 &end
#
# 49 VAL QQG 0 AMBIG 758  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 915, 916, 913,
 &end
#
# 49 VAL QQG 0 AMBIG 759  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 688, 689, 791, 792, 884, 885,
 &end
#
# 49 VAL QQG 0 AMBIG 760  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 742, 743, 744, 746, 747, 748,
 igr2= 805, 806, 756, 757, 705, 706, 277, 278,
 &end
#
# 137 THR QG2 0 AMBIG 761  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2105,2106,2107,
 igr2=2091,2092,2046,2047,
 &end
#
# 137 THR QG2 0 AMBIG 762  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2105,2106,2107,
 igr2=2088,2089,2046,2047,
 &end
#
# 78 VAL QQG 0 AMBIG 763  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1465,1466, 155, 156,
 &end
#
# 78 VAL QQG 0 AMBIG 764  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2=1208,1209,1210, 155, 156, 160, 161, 162, 164, 165,
       166,
 &end
#
# 78 VAL QQG 0 AMBIG 765  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1176,1177,1178,1180,1181,1182,
 igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
 &end
#
# 34 VAL QQG 0 AMBIG 766  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2=  91, 363,
 &end
#
# 34 VAL QQG 0 AMBIG 767  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2= 395, 494,
 &end
#
# 41 ALA QB 0 AMBIG 768  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 635, 636, 637,
 igr2= 631, 990,
 &end
#
# 109 ALA QB 0 AMBIG 769  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,1643,
 igr2=1730,1577,
 &end
#
# 109 ALA QB 0 AMBIG 770  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,1643,
 igr2=1806,1867,
 &end
#
# 109 ALA QB 0 AMBIG 771  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,1643,
 igr2=1786,1826,
 &end
#
# 109 ALA QB 0 AMBIG 772  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,1643,
 igr2=1605,1788,
 &end
#
# 66 ILE QG2 0 AMBIG 773  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 996, 997, 998,
 igr2= 990, 631,
 &end
#
# 66 ILE QG2 0 AMBIG 774  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 996, 997, 998,
 igr2= 599, 197, 198,
 &end
#
# 59 ILE QG2 0 AMBIG 775  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 898, 899, 900,
 igr2= 936, 736,
 &end
#
# 59 ILE QG2 0 AMBIG 776  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 898, 899, 900,
 igr2= 896, 943, 944,
 &end
#
# 86 ALA QB 0 AMBIG 777  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1279,1280,1281,
 igr2=1235,1216,
 &end
#
# 86 ALA QB 0 AMBIG 778  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1279,1280,1281,
 igr2=1277,1248,1249,
 &end
#
# 39 ILE QG2 0 AMBIG 779  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 603, 604, 605,
 igr2= 601, 623, 624,
 &end
#
# 39 ILE QG2 0 AMBIG 780  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 603, 604, 605,
 igr2=1301,1302, 994,
 &end
#
# 5 ILE QG2 0 AMBIG 781  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,
 igr2= 510,  72,
 &end
#
# 5 ILE QG2 0 AMBIG 782  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,
 igr2=1139, 548,
 &end
#
# 5 ILE QG2 0 AMBIG 783  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,
 igr2= 110,  36,
 &end
#
# 5 ILE QG2 0 AMBIG 784  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,
 igr2= 552, 553,1119,1120,
 &end
#
# 5 ILE QG2 0 AMBIG 785  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  78,  79,  80,
 igr2= 514, 515,  76,
 &end
#
# 51 ALA QB 0 AMBIG 786  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 778, 779, 780,
 igr2=1806,1867,
 &end
#
# 51 ALA QB 0 AMBIG 787  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 778, 779, 780,
 igr2= 776, 728,
 &end
#
# 51 ALA QB 0 AMBIG 788  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 778, 779, 780,
 igr2= 294, 295,1830,1831, 788, 789, 716, 717,
 &end
#
# 51 ALA QB 0 AMBIG 789  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 778, 779, 780,
 igr2= 844, 845, 846, 848, 849, 850, 902, 903,
 &end
#
# 67 ILE QG2 0 AMBIG 790  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1015,1016,1017,
 igr2=1042, 183,
 &end
#
# 67 ILE QG2 0 AMBIG 791  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,
 igr2=1032,1033, 206, 207,
 &end
#
# 67 ILE QG2 0 AMBIG 792  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1015,1016,1017,
 igr2=1334,1335,1086,1087,
 &end
#
# 6 ILE QG2 0 AMBIG 793  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  97,  98,  99,
 igr2= 510,  72,
 &end
#
# 5 ILE QD1 0 AMBIG 794  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  85,  86,  87,
 igr2=  72, 510,
 &end
#
# 5 ILE QD1 0 AMBIG 795  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,  87,
 igr2= 514, 515,  76,
 &end
#
# 66 ILE QD1 0 AMBIG 796  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1003,1004,1005,
 igr2= 990, 631,
 &end
#
# 39 ILE QD1 0 AMBIG 797  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 610, 611, 612,
 igr2=1319, 616,
 &end
#
# 39 ILE QD1 0 AMBIG 798  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 610, 611, 612,
 igr2= 174, 175,1206,
 &end
#
# 39 ILE QD1 0 AMBIG 799  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 610, 611, 612,
 igr2=1301,1302, 607, 608,
 &end
#
# 4 LYS+ QB 0 AMBIG 800  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  54,  55,
 igr2=  72, 510,
 &end
#
# 4 LYS+ QB 0 AMBIG 801  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  54,  55,
 igr2=  72, 510,
 &end
#
# 4 LYS+ QB 0 AMBIG 802  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  54,  55,
 igr2= 490, 491,1143,1144,
 &end
#
# 4 LYS+ QB 0 AMBIG 803  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  54,  55,
 igr2=  40,  41,1143,1144,
 &end
#
# 67 ILE QG1 0 AMBIG 804  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1019,1020,
 igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
 &end
#
# 67 ILE QG1 0 AMBIG 805  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1019,1020,
 igr2= 584, 585, 586,1000,1001,
 &end
#
# 71 ILE QG1 0 AMBIG 806  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1073,1074,
 igr2=1032,1033,1055,1056,
 &end
#
# 77 LEU QQD 0 AMBIG 807  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2= 101, 102,  57,  58,
 &end
#
# 77 LEU QQD 0 AMBIG 808  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2=  95,1446,1447,
 &end
#
# 77 LEU QQD 0 AMBIG 809  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1160,1161,1162,1164,1165,1166,
 igr2= 503,2064,2068,
 &end
#
# 9 LEU HG 0 AMBIG 810  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1091,1092,1093,1095,1096,1097,1176,1177,1178,1180,
      1181,1182,1015,1016,1017,1225,1226,1227,1229,1230,
      1231,
 &end
#
# 9 LEU HG 0 AMBIG 811  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 160, 161, 162, 164, 165, 166, 155, 156,1208,1209,
      1210,
 &end
#
# 9 LEU HG 0 AMBIG 812  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1086,1087,1174,
 &end
#
# 28 LEU QQD 0 AMBIG 813  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 433,2074,
 &end
#
# 28 LEU QQD 0 AMBIG 814  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 367, 368, 369, 440,
 &end
#
# 28 LEU QQD 0 AMBIG 815  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2=  97,  98,  99, 538, 539, 540, 542, 543, 544,
 &end
#
# 44 LEU QQD 0 AMBIG 816  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 896, 943, 944,
 &end
#
# 44 LEU QQD 0 AMBIG 817  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 913, 915, 916,
 &end
#
# 44 LEU QQD 0 AMBIG 818  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 971, 972, 915, 916,
 &end
#
# 44 LEU QQD 0 AMBIG 819  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 708, 938,
 &end
#
# 44 LEU QQD 0 AMBIG 820  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 708, 938,
 &end
#
# 44 LEU QQD 0 AMBIG 821  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 674, 675, 676, 678, 679, 680,
 igr2= 936, 736,
 &end
#
# 67 ILE HA 0 AMBIG 822  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
 &end
#
# 39 ILE HA 0 AMBIG 823  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
 &end
#
# 7 TYR QE 0 AMBIG 824  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 120, 125,
 igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
 &end
#
# 28 LEU QQD 0 AMBIG 825  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 367, 368, 369, 440,
 &end
#
# 28 LEU QQD 0 AMBIG 826  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2=2066,1527,
 &end
#
# 28 LEU QQD 0 AMBIG 827  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 442, 443, 444, 446, 447, 448,
 igr2= 433,2074,
 &end
#
# 55 VAL QQG 0 AMBIG 828  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 788, 789,1887,1888,
 &end
#
# 55 VAL QQG 0 AMBIG 829  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 788, 789, 402, 403, 399, 400,
 &end
#
# 55 VAL QQG 0 AMBIG 830  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 830, 831,1887,1888,
 &end
#
# 55 VAL QQG 0 AMBIG 831  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2=1893,1894, 842,
 &end
#
# 55 VAL QQG 0 AMBIG 832  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 838, 407, 408,
 &end
#
# 55 VAL QQG 0 AMBIG 833  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 844, 845, 846, 848, 849, 850,
 igr2= 861, 854,
 &end
#
# 127 ILE QG2 0 AMBIG 834  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1940,1941,1942,
 igr2= 343, 344, 343, 344,
 &end
#
# 127 ILE QG2 0 AMBIG 835  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1940,1941,1942,
 igr2=1936,1984,1985,
 &end
#
# 127 ILE QG2 0 AMBIG 836  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1940,1941,1942,
 igr2=1955,1956,2002,2003,1981,1982,
 &end
#
# 57 ILE QG2 0 AMBIG 837  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 867, 868, 869,
 igr2= 399, 400, 377, 378,
 &end
#
# 57 ILE QG2 0 AMBIG 838  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 867, 868, 869,
 igr2= 788, 789, 402, 403,
 &end
#
# 57 ILE QG2 0 AMBIG 839  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 867, 868, 869,
 igr2= 292, 803,
 &end
#
# 57 ILE QG2 0 AMBIG 840  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 867, 868, 869,
 igr2= 341, 894, 786,
 &end
#
# 57 ILE QG2 0 AMBIG 841  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 867, 868, 869,
 igr2= 861, 854,
 &end
#
# 127 ILE QD1 0 AMBIG 842  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1947,1948,1949,
 igr2=1978,1979,1978,1979,
 &end
#
# 127 ILE QD1 0 AMBIG 843  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1947,1948,1949,
 igr2=1936, 231, 232,
 &end
#
# 6 ILE QD1 0 AMBIG 844  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 104, 105, 106,
 igr2=  97,  98,  99, 101, 102,
 &end
#
# 6 ILE QD1 0 AMBIG 845  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 104, 105, 106,
 igr2= 534,1188,
 &end
#
# 6 ILE QD1 0 AMBIG 846  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 104, 105, 106,
 igr2= 110,1186,
 &end
#
# 6 ILE QD1 0 AMBIG 847  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 104, 105, 106,
 igr2=  91, 151, 363,
 &end
#
# 59 ILE QD1 0 AMBIG 848  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 905, 906, 907,
 igr2= 730, 731, 732, 788, 789,
 &end
#
# 59 ILE QD1 0 AMBIG 849  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 905, 906, 907,
 igr2= 788, 789, 294, 295,
 &end
#
# 59 ILE QD1 0 AMBIG 850  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 905, 906, 907,
 igr2= 728, 708,
 &end
#
# 59 ILE QD1 0 AMBIG 851  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 905, 906, 907,
 igr2= 894, 786,
 &end
#
# 59 ILE QD1 0 AMBIG 852  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 905, 906, 907,
 igr2= 784, 726,
 &end
#
# 57 ILE QD1 0 AMBIG 853  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 874, 875, 876,
 igr2= 871, 872, 844, 845, 846, 848, 849, 850,
 &end
#
# 57 ILE QD1 0 AMBIG 854  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 874, 875, 876,
 igr2= 402, 403, 399, 400,
 &end
#
# 71 ILE QD1 0 AMBIG 855  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1076,1077,1078,
 igr2=1119,1120, 552, 553,
 &end
#
# 71 ILE QG2 0 AMBIG 856  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1069,1070,1071,
 igr2=  78,  79,  80,  85,  86,  87,
 &end
#
# 71 ILE QG2 0 AMBIG 857  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1069,1070,1071,
 igr2=1086,1087,  76, 514, 515,
 &end
#
# 71 ILE QG2 0 AMBIG 858  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1069,1070,1071,
 igr2= 552, 553,1119,1120,
 &end
#
# 71 ILE QG2 0 AMBIG 859  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1069,1070,1071,
 igr2=1119,1120,1032,1033,
 &end
#
# 71 ILE QG2 0 AMBIG 860  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2= 110,1051,
 &end
#
# 79 VAL QQG 0 AMBIG 861  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1160,1161,1162,1164,1165,1166,1225,1226,1227,1229,
      1230,1231,
 &end
#
# 79 VAL QQG 0 AMBIG 862  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1190,1225,1226,1227,1229,1230,1231,
 &end
#
# 79 VAL QQG 0 AMBIG 863  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1218,  93,
 &end
#
# 79 VAL QQG 0 AMBIG 864  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1186, 110,
 &end
#
# 79 VAL QQG 0 AMBIG 865  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1192,1193,1194,1196,1197,1198,
 igr2=1170,1497,
 &end
#
# 127 ILE QG1 0 AMBIG 866  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1944,1945,
 igr2=1936,1984,1985,
 &end
#
# 10 CYS QB 0 AMBIG 867  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 174, 175,
 igr2= 181, 170,
 &end
#
# 16 ARG+ QB 0 AMBIG 868  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 242, 243,
 igr2= 245, 246,1220,1221,
 &end
#
# 34 VAL QQG 0 AMBIG 869  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2=  91, 363,
 &end
#
# 34 VAL QQG 0 AMBIG 870  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2= 135, 136, 523, 524,
 &end
#
# 34 VAL QQG 0 AMBIG 871  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 538, 539, 540, 542, 543, 544,
 igr2= 324, 325, 321, 322,
 &end
#
# 98 ARG+ QB 0 AMBIG 872  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1462,1463,
 igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 98 ARG+ QB 0 AMBIG 873  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1462,1463,
 igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 88 LYS+ QB 0 AMBIG 874  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1301,1302,
 igr2=1304,1305,1307,1308,
 &end
#
# 36 SER QB 0 AMBIG 875  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 573, 574,
 igr2= 321, 322, 324, 325,
 &end
#
# 36 SER QB 0 AMBIG 876  1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 573, 574,
 igr2= 580, 131,
 &end
#
# 40 GLU- QG 0 AMBIG 877  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 623, 624,
 igr2= 631, 616,
 &end
#
# 40 GLU- QG 0 AMBIG 878  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 623, 624,
 igr2= 631, 616,
 &end
#
# 62 GLN QG 0 AMBIG 879  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 943, 944,
 igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
 &end
#
# 71 ILE QG1 0 AMBIG 880  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1073,1074,
 igr2=1032,1033,1055,1056,
 &end
#
# 77 LEU HA 0 AMBIG 881  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1160,1161,1162,1164,1165,1166,1426,1427,1428,1430,
      1431,1432,
 &end
#
# 79 VAL HA 0 AMBIG 882  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1208,1209,1210,1158,
 &end
#
# 79 VAL HA 0 AMBIG 883  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
      1181,1182,
 &end
#
# 88 LYS+ QB 0 AMBIG 884  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1301,1302,
 igr2=1304,1305,1307,1308,
 &end
#
# 103 PHE QB 0 AMBIG 885  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1549,1550,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 105 ASP- QB 0 AMBIG 886  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1581,1582,
 igr2=1617,1618,1620,1621,
 &end
#
# 106 PRO QB 0 AMBIG 887  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1596,1597,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 106 PRO QD 0 AMBIG 888  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1590,1591,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 110 GLN QB 0 AMBIG 889  1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1651,1652,
 igr2=1654,1655,1654,1655,
 &end
#
# 124 ARG+ QB 0 AMBIG 890  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1887,1888,
 igr2= 354, 823,
 &end
#
# 122 ARG+ QD 0 AMBIG 891  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1853,1854,
 igr2=1850,1851,1780,1781,1782,
 &end
#
# 122 ARG+ QD 0 AMBIG 892  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1853,1854,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 124 ARG+ QB 0 AMBIG 893  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1887,1888,
 igr2= 354, 823,
 &end
#
# 126 GLU- QG 0 AMBIG 894  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1926,1927,
 igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
      1878,1879,
 &end
#
# 131 LEU QB 0 AMBIG 895  1.8 7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=2002,2003,
 igr2=1940,1941,1942, 442, 443, 444, 446, 447, 448,
 &end
#
# 131 LEU QB 0 AMBIG 896  1.8 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2002,2003,
 igr2=1940,1941,1942, 442, 443, 444, 446, 447, 448,
 &end
#
# 131 LEU QB 0 AMBIG 897  1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2002,2003,
 igr2= 343, 344, 343, 344, 416, 417,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1   0.601  -1.237  -0.224
    2   2H    MET   1           H2       MET   1  -0.231   0.182  -0.278
    3   3H    MET   1           H3       MET   1   0.334  -0.479  -1.666
    4    HA   MET   1           HA       MET   1   2.042   0.469   0.528
    5   1HB   MET   1          HB2       MET   1   2.736  -0.283  -2.355
    6   2HB   MET   1          HB3       MET   1   3.857   0.384  -1.169
    7   1HG   MET   1          HG2       MET   1   3.504  -1.583   0.293
    8   2HG   MET   1          HG3       MET   1   2.464  -2.302  -0.945
    9   1HE   MET   1          HE1       MET   1   4.949  -3.788   0.362
   10   2HE   MET   1          HE2       MET   1   3.901  -4.510  -0.882
   11   3HE   MET   1          HE3       MET   1   5.668  -4.547  -1.076
   12    H    GLU   2           H        GLU   2   3.530   2.339  -0.979
   13    HA   GLU   2           HA       GLU   2   1.649   4.202  -2.242
   14   1HB   GLU   2          HB2       GLU   2   1.574   4.772   0.167
   15   2HB   GLU   2          HB3       GLU   2   3.339   4.857   0.215
   16   1HG   GLU   2          HG2       GLU   2   3.266   6.777  -1.383
   17   2HG   GLU   2          HG3       GLU   2   1.504   6.699  -1.380
   18    H    ASN   3           H        ASN   3   2.829   5.621  -3.619
   19    HA   ASN   3           HA       ASN   3   5.717   5.493  -3.823
   20   1HB   ASN   3          HB2       ASN   3   5.457   3.438  -4.925
   21   2HB   ASN   3          HB3       ASN   3   4.005   3.946  -5.760
   22   1HD2  ASN   3          HD21      ASN   3   4.175   4.940  -7.755
   23   2HD2  ASN   3          HD22      ASN   3   5.720   5.235  -8.559
   24    H    LYS   4           H        LYS   4   2.639   6.397  -5.357
   25    HA   LYS   4           HA       LYS   4   3.666   9.166  -5.661
   26   1HB   LYS   4          HB2       LYS   4   2.138   7.532  -7.734
   27   2HB   LYS   4          HB3       LYS   4   2.142   9.296  -7.748
   28   1HG   LYS   4          HG2       LYS   4   4.570   9.377  -7.968
   29   2HG   LYS   4          HG3       LYS   4   4.673   7.620  -7.899
   30   1HD   LYS   4          HD2       LYS   4   3.317   9.247 -10.091
   31   2HD   LYS   4          HD3       LYS   4   4.878   8.407 -10.185
   32   1HE   LYS   4          HE2       LYS   4   3.585   6.262  -9.589
   33   2HE   LYS   4          HE3       LYS   4   2.108   7.179  -9.891
   34   1HZ   LYS   4          HZ1       LYS   4   2.753   7.437 -12.164
   35   2HZ   LYS   4          HZ2       LYS   4   4.262   6.846 -11.907
   36   3HZ   LYS   4          HZ3       LYS   4   2.984   5.842 -11.800
   37    H    ILE   5           H        ILE   5   1.723  10.652  -5.878
   38    HA   ILE   5           HA       ILE   5  -0.713   9.710  -4.488
   39    HB   ILE   5           HB       ILE   5   1.173  11.944  -3.656
   40   1HG1  ILE   5          HG12      ILE   5  -0.099   9.749  -1.987
   41   2HG1  ILE   5          HG13      ILE   5   1.535   9.703  -2.649
   42   1HG2  ILE   5          HG21      ILE   5  -0.561  12.798  -2.083
   43   2HG2  ILE   5          HG22      ILE   5  -1.107  12.937  -3.742
   44   3HG2  ILE   5          HG23      ILE   5  -1.718  11.609  -2.753
   45   1HD1  ILE   5          HD11      ILE   5   1.730  10.356  -0.373
   46   2HD1  ILE   5          HD12      ILE   5   2.088  11.786  -1.360
   47   3HD1  ILE   5          HD13      ILE   5   0.516  11.629  -0.536
   48    H    ILE   6           H        ILE   6  -2.462  10.556  -5.581
   49    HA   ILE   6           HA       ILE   6  -2.014  12.849  -7.410
   50    HB   ILE   6           HB       ILE   6  -2.095  11.064  -8.888
   51   1HG1  ILE   6          HG12      ILE   6  -4.922  12.193  -8.735
   52   2HG1  ILE   6          HG13      ILE   6  -3.516  12.982  -9.456
   53   1HG2  ILE   6          HG21      ILE   6  -4.509   9.900  -7.460
   54   2HG2  ILE   6          HG22      ILE   6  -3.756   9.247  -8.930
   55   3HG2  ILE   6          HG23      ILE   6  -2.861   9.237  -7.427
   56   1HD1  ILE   6          HD11      ILE   6  -4.935  10.473 -10.434
   57   2HD1  ILE   6          HD12      ILE   6  -4.794  12.036 -11.244
   58   3HD1  ILE   6          HD13      ILE   6  -3.359  11.006 -11.066
   59    H    TYR   7           H        TYR   7  -3.397  14.503  -6.923
   60    HA   TYR   7           HA       TYR   7  -5.560  13.943  -4.960
   61   1HB   TYR   7          HB2       TYR   7  -3.358  14.904  -4.106
   62   2HB   TYR   7          HB3       TYR   7  -3.749  16.378  -4.976
   63    HD1  TYR   7           HD1      TYR   7  -6.059  14.150  -2.937
   64    HD2  TYR   7           HD2      TYR   7  -3.947  17.903  -3.201
   65    HE1  TYR   7           HE1      TYR   7  -7.007  14.835  -0.763
   66    HE2  TYR   7           HE2      TYR   7  -4.841  18.566  -0.995
   67    HH   TYR   7           HH       TYR   7  -6.022  17.842   0.903
   68    H    PHE   8           H        PHE   8  -7.431  14.177  -6.037
   69    HA   PHE   8           HA       PHE   8  -7.710  16.031  -8.284
   70   1HB   PHE   8          HB2       PHE   8  -9.698  14.301  -6.738
   71   2HB   PHE   8          HB3       PHE   8 -10.140  15.326  -8.100
   72    HD1  PHE   8           HD1      PHE   8  -8.726  12.115  -7.135
   73    HD2  PHE   8           HD2      PHE   8  -8.997  14.985 -10.341
   74    HE1  PHE   8           HE1      PHE   8  -7.880  10.421  -8.746
   75    HE2  PHE   8           HE2      PHE   8  -8.140  13.288 -11.938
   76    HZ   PHE   8           HZ       PHE   8  -7.561  11.016 -11.127
   77    H    LEU   9           H        LEU   9  -8.905  17.938  -8.345
   78    HA   LEU   9           HA       LEU   9  -9.777  19.154  -5.794
   79   1HB   LEU   9          HB2       LEU   9  -7.306  19.526  -6.229
   80   2HB   LEU   9          HB3       LEU   9  -7.710  20.301  -7.744
   81    HG   LEU   9           HG       LEU   9  -7.096  21.853  -5.938
   82   1HD1  LEU   9          HD11      LEU   9  -8.735  22.542  -7.763
   83   2HD1  LEU   9          HD12      LEU   9 -10.020  22.355  -6.539
   84   3HD1  LEU   9          HD13      LEU   9  -8.714  23.517  -6.290
   85   1HD2  LEU   9          HD21      LEU   9  -7.971  20.594  -4.027
   86   2HD2  LEU   9          HD22      LEU   9  -8.535  22.282  -4.039
   87   3HD2  LEU   9          HD23      LEU   9  -9.630  20.978  -4.519
   88    H    CYS  10           H        CYS  10 -11.735  20.206  -6.204
   89    HA   CYS  10           HA       CYS  10 -12.136  21.488  -8.805
   90   1HB   CYS  10          HB2       CYS  10 -13.032  18.988  -8.776
   91   2HB   CYS  10          HB3       CYS  10 -14.381  19.689  -7.866
   92    HG   CYS  10           HG       CYS  10 -14.942  19.492 -10.479
   93    H    THR  11           H        THR  11 -14.548  22.682  -8.624
   94    HA   THR  11           HA       THR  11 -14.247  24.348  -6.317
   95    HB   THR  11           HB       THR  11 -16.363  25.391  -7.193
   96    HG1  THR  11           HG1      THR  11 -17.149  24.727  -9.071
   97   1HG2  THR  11          HG21      THR  11 -13.957  26.053  -7.766
   98   2HG2  THR  11          HG22      THR  11 -14.152  25.109  -9.261
   99   3HG2  THR  11          HG23      THR  11 -15.195  26.503  -8.955
  100    H    GLY  12           H        GLY  12 -15.754  21.333  -6.623
  101   1HA   GLY  12          HA1       GLY  12 -16.603  21.479  -3.869
  102   2HA   GLY  12          HA2       GLY  12 -17.914  21.098  -5.012
  103    H    ASN  13           H        ASN  13 -15.642  19.694  -3.092
  104    HA   ASN  13           HA       ASN  13 -14.360  17.687  -4.644
  105   1HB   ASN  13          HB2       ASN  13 -13.883  18.284  -2.258
  106   2HB   ASN  13          HB3       ASN  13 -15.399  17.556  -1.764
  107   1HD2  ASN  13          HD22      ASN  13 -12.743  16.862  -0.862
  108   2HD2  ASN  13          HD21      ASN  13 -12.422  15.204  -1.319
  109    H    SER  14           H        SER  14 -17.466  17.769  -2.997
  110    HA   SER  14           HA       SER  14 -18.410  15.360  -2.744
  111   1HB   SER  14          HB2       SER  14 -20.020  17.674  -3.875
  112   2HB   SER  14          HB3       SER  14 -20.590  16.430  -2.750
  113    HG   SER  14           HG       SER  14 -19.882  18.651  -1.985
  114    H    CYS  15           H        CYS  15 -18.296  16.908  -5.962
  115    HA   CYS  15           HA       CYS  15 -19.823  14.598  -7.084
  116   1HB   CYS  15          HB2       CYS  15 -19.510  17.408  -8.223
  117   2HB   CYS  15          HB3       CYS  15 -20.520  16.100  -8.857
  118    HG   CYS  15           HG       CYS  15 -21.822  18.117  -7.697
  119    H    ARG  16           H        ARG  16 -17.441  17.010  -8.408
  120    HA   ARG  16           HA       ARG  16 -16.770  15.097 -10.457
  121   1HB   ARG  16          HB2       ARG  16 -15.307  17.701  -9.780
  122   2HB   ARG  16          HB3       ARG  16 -15.065  16.703 -11.201
  123   1HG   ARG  16          HG2       ARG  16 -16.448  18.231 -12.099
  124   2HG   ARG  16          HG3       ARG  16 -17.637  17.029 -11.629
  125   1HD   ARG  16          HD2       ARG  16 -18.687  18.532 -10.295
  126   2HD   ARG  16          HD3       ARG  16 -17.204  18.855  -9.398
  127    HE   ARG  16           HE       ARG  16 -17.334  20.136 -12.028
  128   1HH1  ARG  16          HH11      ARG  16 -18.445  20.724  -8.701
  129   2HH1  ARG  16          HH12      ARG  16 -17.684  22.302  -8.629
  130   1HH2  ARG  16          HH21      ARG  16 -16.703  22.226 -12.023
  131   2HH2  ARG  16          HH22      ARG  16 -16.774  23.212 -10.566
  132    H    SER  17           H        SER  17 -14.897  16.238  -7.560
  133    HA   SER  17           HA       SER  17 -12.589  14.770  -8.256
  134   1HB   SER  17          HB2       SER  17 -13.477  15.513  -5.459
  135   2HB   SER  17          HB3       SER  17 -11.825  15.264  -6.059
  136    HG   SER  17           HG       SER  17 -12.303  17.461  -5.902
  137    H    GLN  18           H        GLN  18 -15.359  13.895  -6.120
  138    HA   GLN  18           HA       GLN  18 -14.429  11.373  -5.330
  139   1HB   GLN  18          HB2       GLN  18 -17.270  12.376  -5.877
  140   2HB   GLN  18          HB3       GLN  18 -16.921  10.834  -5.103
  141   1HG   GLN  18          HG2       GLN  18 -16.103  13.561  -4.033
  142   2HG   GLN  18          HG3       GLN  18 -17.444  12.591  -3.451
  143   1HE2  GLN  18          HE22      GLN  18 -14.494  13.492  -2.504
  144   2HE2  GLN  18          HE21      GLN  18 -14.070  12.068  -1.543
  145    H    MET  19           H        MET  19 -16.291  12.148  -8.354
  146    HA   MET  19           HA       MET  19 -16.347   9.362  -9.153
  147   1HB   MET  19          HB2       MET  19 -16.749  11.908 -10.774
  148   2HB   MET  19          HB3       MET  19 -16.953  10.260 -11.393
  149   1HG   MET  19          HG2       MET  19 -18.611   9.849  -9.524
  150   2HG   MET  19          HG3       MET  19 -18.569  11.579  -9.193
  151   1HE   MET  19          HE1       MET  19 -18.378  12.831 -12.198
  152   2HE   MET  19          HE2       MET  19 -20.110  13.087 -12.489
  153   3HE   MET  19          HE3       MET  19 -19.418  13.439 -10.886
  154    H    ALA  20           H        ALA  20 -14.175  12.157 -10.006
  155    HA   ALA  20           HA       ALA  20 -12.621  10.781 -11.902
  156   1HB   ALA  20          HB1       ALA  20 -11.668  12.893  -9.929
  157   2HB   ALA  20          HB2       ALA  20 -10.931  12.470 -11.488
  158   3HB   ALA  20          HB3       ALA  20 -12.527  13.240 -11.448
  159    H    GLU  21           H        GLU  21 -12.318  10.883  -8.346
  160    HA   GLU  21           HA       GLU  21  -9.946   9.376  -8.088
  161   1HB   GLU  21          HB2       GLU  21 -10.784  10.685  -6.297
  162   2HB   GLU  21          HB3       GLU  21 -12.333   9.831  -6.256
  163   1HG   GLU  21          HG2       GLU  21 -11.175   7.781  -5.543
  164   2HG   GLU  21          HG3       GLU  21  -9.633   8.631  -5.546
  165    H    GLY  22           H        GLY  22 -13.424   8.236  -8.159
  166   1HA   GLY  22          HA1       GLY  22 -12.826   5.493  -7.799
  167   2HA   GLY  22          HA2       GLY  22 -14.262   6.155  -8.573
  168    H    TRP  23           H        TRP  23 -13.159   7.424 -10.916
  169    HA   TRP  23           HA       TRP  23 -12.617   5.079 -12.516
  170   1HB   TRP  23          HB2       TRP  23 -12.255   8.024 -13.142
  171   2HB   TRP  23          HB3       TRP  23 -11.999   6.727 -14.295
  172    HD1  TRP  23           HD1      TRP  23 -14.706   8.740 -12.683
  173    HE1  TRP  23           HE1      TRP  23 -16.892   8.399 -13.898
  174    HE3  TRP  23           HE3      TRP  23 -13.466   4.584 -15.418
  175    HZ2  TRP  23           HZ2      TRP  23 -17.924   6.707 -15.979
  176    HZ3  TRP  23           HZ3      TRP  23 -15.069   3.687 -17.081
  177    HH2  TRP  23           HH2      TRP  23 -17.305   4.781 -17.388
  178    H    ALA  24           H        ALA  24 -10.442   7.564 -11.042
  179    HA   ALA  24           HA       ALA  24  -8.164   6.683 -12.436
  180   1HB   ALA  24          HB1       ALA  24  -8.310   8.845 -11.162
  181   2HB   ALA  24          HB2       ALA  24  -8.263   7.932  -9.655
  182   3HB   ALA  24          HB3       ALA  24  -6.857   7.918 -10.746
  183    H    LYS  25           H        LYS  25  -9.553   5.461  -9.382
  184    HA   LYS  25           HA       LYS  25  -7.383   3.737  -8.736
  185   1HB   LYS  25          HB2       LYS  25 -10.371   3.556  -8.202
  186   2HB   LYS  25          HB3       LYS  25  -9.220   2.392  -7.532
  187   1HG   LYS  25          HG2       LYS  25  -8.089   4.042  -6.239
  188   2HG   LYS  25          HG3       LYS  25  -8.850   5.381  -7.106
  189   1HD   LYS  25          HD2       LYS  25 -11.066   4.717  -6.228
  190   2HD   LYS  25          HD3       LYS  25 -10.300   3.410  -5.287
  191   1HE   LYS  25          HE2       LYS  25  -8.960   5.062  -4.038
  192   2HE   LYS  25          HE3       LYS  25  -9.561   6.359  -5.079
  193   1HZ   LYS  25          HZ1       LYS  25 -10.839   6.490  -3.175
  194   2HZ   LYS  25          HZ2       LYS  25 -11.827   5.779  -4.243
  195   3HZ   LYS  25          HZ3       LYS  25 -11.107   4.852  -3.072
  196    H    GLN  26           H        GLN  26  -9.804   3.411 -11.259
  197    HA   GLN  26           HA       GLN  26  -9.293   0.534 -11.663
  198   1HB   GLN  26          HB2       GLN  26 -11.128   2.634 -12.817
  199   2HB   GLN  26          HB3       GLN  26 -10.686   1.293 -13.853
  200   1HG   GLN  26          HG2       GLN  26 -12.843   1.086 -12.534
  201   2HG   GLN  26          HG3       GLN  26 -11.749  -0.296 -12.544
  202   1HE2  GLN  26          HE22      GLN  26 -12.029   2.743 -10.463
  203   2HE2  GLN  26          HE21      GLN  26 -12.021   1.834  -8.984
  204    H    TYR  27           H        TYR  27  -8.631   3.642 -13.294
  205    HA   TYR  27           HA       TYR  27  -7.160   2.353 -15.425
  206   1HB   TYR  27          HB2       TYR  27  -7.705   5.219 -14.623
  207   2HB   TYR  27          HB3       TYR  27  -6.686   4.820 -16.010
  208    HD1  TYR  27           HD1      TYR  27  -9.927   5.759 -15.209
  209    HD2  TYR  27           HD2      TYR  27  -7.813   2.843 -17.584
  210    HE1  TYR  27           HE1      TYR  27 -11.886   5.550 -16.698
  211    HE2  TYR  27           HE2      TYR  27  -9.804   2.555 -19.014
  212    HH   TYR  27           HH       TYR  27 -11.997   3.245 -19.446
  213    H    LEU  28           H        LEU  28  -6.165   3.804 -12.349
  214    HA   LEU  28           HA       LEU  28  -3.300   3.593 -13.112
  215   1HB   LEU  28          HB2       LEU  28  -4.560   4.820 -10.632
  216   2HB   LEU  28          HB3       LEU  28  -2.876   4.905 -11.127
  217    HG   LEU  28           HG       LEU  28  -5.218   6.207 -12.578
  218   1HD1  LEU  28          HD11      LEU  28  -4.562   7.258 -10.416
  219   2HD1  LEU  28          HD12      LEU  28  -2.919   7.475 -11.048
  220   3HD1  LEU  28          HD13      LEU  28  -4.286   8.304 -11.819
  221   1HD2  LEU  28          HD21      LEU  28  -2.241   6.332 -13.223
  222   2HD2  LEU  28          HD22      LEU  28  -3.499   5.568 -14.219
  223   3HD2  LEU  28          HD23      LEU  28  -3.511   7.312 -13.980
  224    H    GLY  29           H        GLY  29  -3.044   3.201  -9.946
  225   1HA   GLY  29          HA1       GLY  29  -3.946   0.614  -9.322
  226   2HA   GLY  29          HA2       GLY  29  -2.364   0.459 -10.110
  227    H    ASP  30           H        ASP  30  -2.063  -0.407  -7.749
  228    HA   ASP  30           HA       ASP  30  -2.055   1.346  -5.554
  229   1HB   ASP  30          HB2       ASP  30  -2.082  -1.158  -5.487
  230   2HB   ASP  30          HB3       ASP  30  -0.359  -1.150  -5.897
  231    H    GLU  31           H        GLU  31   0.173   1.185  -8.109
  232    HA   GLU  31           HA       GLU  31   2.589   2.241  -7.078
  233   1HB   GLU  31          HB2       GLU  31   2.151   1.296  -9.356
  234   2HB   GLU  31          HB3       GLU  31   1.115   2.668  -9.723
  235   1HG   GLU  31          HG2       GLU  31   3.149   4.165  -9.448
  236   2HG   GLU  31          HG3       GLU  31   4.125   2.703  -9.291
  237    H    TRP  32           H        TRP  32  -0.566   3.613  -7.092
  238    HA   TRP  32           HA       TRP  32   0.492   6.301  -6.425
  239   1HB   TRP  32          HB2       TRP  32  -2.129   5.770  -7.861
  240   2HB   TRP  32          HB3       TRP  32  -1.370   7.314  -7.557
  241    HD1  TRP  32           HD1      TRP  32  -0.632   4.139  -9.650
  242    HE1  TRP  32           HE1      TRP  32   0.107   4.854 -11.998
  243    HE3  TRP  32           HE3      TRP  32  -0.576   9.219  -8.990
  244    HZ2  TRP  32           HZ2      TRP  32   0.400   7.264 -13.470
  245    HZ3  TRP  32           HZ3      TRP  32  -0.158  10.707 -10.922
  246    HH2  TRP  32           HH2      TRP  32   0.296   9.718 -13.189
  247    H    LYS  33           H        LYS  33  -0.968   7.422  -4.971
  248    HA   LYS  33           HA       LYS  33  -3.179   5.827  -3.760
  249   1HB   LYS  33          HB2       LYS  33  -1.309   7.861  -2.489
  250   2HB   LYS  33          HB3       LYS  33  -2.852   7.410  -1.768
  251   1HG   LYS  33          HG2       LYS  33  -0.642   5.415  -2.386
  252   2HG   LYS  33          HG3       LYS  33  -0.839   6.261  -0.853
  253   1HD   LYS  33          HD2       LYS  33  -1.801   4.229  -0.391
  254   2HD   LYS  33          HD3       LYS  33  -3.184   5.254  -0.706
  255   1HE   LYS  33          HE2       LYS  33  -3.482   3.030  -1.647
  256   2HE   LYS  33          HE3       LYS  33  -3.455   4.206  -2.961
  257   1HZ   LYS  33          HZ1       LYS  33  -2.034   2.012  -3.054
  258   2HZ   LYS  33          HZ2       LYS  33  -1.456   3.410  -3.697
  259   3HZ   LYS  33          HZ3       LYS  33  -0.955   2.862  -2.212
  260    H    VAL  34           H        VAL  34  -5.134   6.860  -3.674
  261    HA   VAL  34           HA       VAL  34  -5.276   9.273  -5.416
  262    HB   VAL  34           HB       VAL  34  -7.252   6.971  -5.415
  263   1HG1  VAL  34          HG11      VAL  34  -7.708   9.269  -6.514
  264   2HG1  VAL  34          HG12      VAL  34  -6.507   8.782  -7.725
  265   3HG1  VAL  34          HG13      VAL  34  -7.970   7.806  -7.475
  266   1HG2  VAL  34          HG21      VAL  34  -4.745   7.078  -7.140
  267   2HG2  VAL  34          HG22      VAL  34  -5.196   5.802  -5.981
  268   3HG2  VAL  34          HG23      VAL  34  -6.146   6.037  -7.453
  269    H    TYR  35           H        TYR  35  -6.160  10.924  -4.314
  270    HA   TYR  35           HA       TYR  35  -8.565  10.375  -2.698
  271   1HB   TYR  35          HB2       TYR  35  -7.056  12.514  -1.438
  272   2HB   TYR  35          HB3       TYR  35  -7.881  11.154  -0.739
  273    HD1  TYR  35           HD1      TYR  35  -4.716  12.671  -1.498
  274    HD2  TYR  35           HD2      TYR  35  -6.599   8.908  -0.547
  275    HE1  TYR  35           HE1      TYR  35  -2.566  11.825  -0.680
  276    HE2  TYR  35           HE2      TYR  35  -4.423   8.023   0.250
  277    HH   TYR  35           HH       TYR  35  -1.427  10.006   0.281
  278    H    SER  36           H        SER  36  -9.609  12.536  -2.090
  279    HA   SER  36           HA       SER  36  -9.536  14.418  -4.400
  280   1HB   SER  36          HB2       SER  36 -11.880  13.113  -2.935
  281   2HB   SER  36          HB3       SER  36 -12.031  14.420  -4.113
  282    HG   SER  36           HG       SER  36 -11.220  11.759  -4.412
  283    H    ALA  37           H        ALA  37  -9.826  16.521  -3.933
  284    HA   ALA  37           HA       ALA  37 -10.866  17.416  -1.323
  285   1HB   ALA  37          HB1       ALA  37  -8.232  18.090  -2.628
  286   2HB   ALA  37          HB2       ALA  37  -9.109  19.314  -1.714
  287   3HB   ALA  37          HB3       ALA  37  -8.651  17.794  -0.910
  288    H    GLY  38           H        GLY  38 -11.219  19.950  -1.702
  289   1HA   GLY  38          HA1       GLY  38 -11.786  20.808  -4.358
  290   2HA   GLY  38          HA2       GLY  38 -13.273  20.456  -3.465
  291    H    ILE  39           H        ILE  39 -12.852  23.015  -4.244
  292    HA   ILE  39           HA       ILE  39 -11.701  24.801  -2.325
  293    HB   ILE  39           HB       ILE  39 -13.979  24.937  -4.307
  294   1HG1  ILE  39          HG12      ILE  39 -12.651  26.737  -5.319
  295   2HG1  ILE  39          HG13      ILE  39 -11.476  26.641  -4.008
  296   1HG2  ILE  39          HG21      ILE  39 -13.363  27.183  -2.368
  297   2HG2  ILE  39          HG22      ILE  39 -14.341  27.332  -3.846
  298   3HG2  ILE  39          HG23      ILE  39 -14.900  26.294  -2.544
  299   1HD1  ILE  39          HD11      ILE  39 -10.713  25.589  -6.114
  300   2HD1  ILE  39          HD12      ILE  39 -10.752  24.424  -4.788
  301   3HD1  ILE  39          HD13      ILE  39 -12.036  24.428  -6.024
  302    H    GLU  40           H        GLU  40 -14.832  23.095  -2.498
  303    HA   GLU  40           HA       GLU  40 -14.889  23.110   0.441
  304   1HB   GLU  40          HB2       GLU  40 -17.211  23.757   0.596
  305   2HB   GLU  40          HB3       GLU  40 -16.274  25.040  -0.154
  306   1HG   GLU  40          HG2       GLU  40 -17.101  24.385  -2.388
  307   2HG   GLU  40          HG3       GLU  40 -18.004  23.033  -1.693
  308    H    ALA  41           H        ALA  41 -16.939  21.699   1.050
  309    HA   ALA  41           HA       ALA  41 -17.440  19.414  -0.731
  310   1HB   ALA  41          HB1       ALA  41 -15.466  18.689   0.551
  311   2HB   ALA  41          HB2       ALA  41 -16.230  19.214   2.073
  312   3HB   ALA  41          HB3       ALA  41 -16.919  17.865   1.165
  313    H    HIS  42           H        HIS  42 -19.268  18.221   0.111
  314    HA   HIS  42           HA       HIS  42 -20.905  19.531   2.229
  315   1HB   HIS  42          HB2       HIS  42 -21.686  20.331   0.010
  316   2HB   HIS  42          HB3       HIS  42 -21.890  18.661  -0.523
  317    HD1  HIS  42           HD1      HIS  42 -23.410  21.088   2.113
  318    HD2  HIS  42           HD2      HIS  42 -24.187  17.508   0.032
  319    HE1  HIS  42           HE1      HIS  42 -25.814  20.453   2.655
  320    H    GLY  43           H        GLY  43 -20.193  16.651   0.175
  321   1HA   GLY  43          HA1       GLY  43 -19.858  14.882   2.223
  322   2HA   GLY  43          HA2       GLY  43 -21.589  14.765   1.835
  323    H    LEU  44           H        LEU  44 -20.368  12.531   1.348
  324    HA   LEU  44           HA       LEU  44 -19.309  12.238  -1.342
  325   1HB   LEU  44          HB2       LEU  44 -18.935  10.563   0.484
  326   2HB   LEU  44          HB3       LEU  44 -20.676  10.294   0.588
  327    HG   LEU  44           HG       LEU  44 -20.614   9.541  -1.835
  328   1HD1  LEU  44          HD11      LEU  44 -18.492  10.480  -2.571
  329   2HD1  LEU  44          HD12      LEU  44 -17.619   9.556  -1.327
  330   3HD1  LEU  44          HD13      LEU  44 -18.413   8.720  -2.675
  331   1HD2  LEU  44          HD21      LEU  44 -19.113   8.014   0.320
  332   2HD2  LEU  44          HD22      LEU  44 -20.837   7.921  -0.074
  333   3HD2  LEU  44          HD23      LEU  44 -19.627   7.299  -1.214
  334    H    ASN  45           H        ASN  45 -20.675  13.153  -2.916
  335    HA   ASN  45           HA       ASN  45 -23.428  13.527  -2.511
  336   1HB   ASN  45          HB2       ASN  45 -21.968  14.827  -4.047
  337   2HB   ASN  45          HB3       ASN  45 -21.974  13.479  -5.185
  338   1HD2  ASN  45          HD22      ASN  45 -23.143  16.386  -5.200
  339   2HD2  ASN  45          HD21      ASN  45 -24.810  16.141  -5.663
  340    HA   PRO  46           HA       PRO  46 -24.980   9.355  -3.368
  341   1HB   PRO  46          HB2       PRO  46 -27.427  10.932  -4.190
  342   2HB   PRO  46          HB3       PRO  46 -27.329   9.435  -3.209
  343   1HG   PRO  46          HG2       PRO  46 -27.663  11.835  -1.997
  344   2HG   PRO  46          HG3       PRO  46 -26.506  10.644  -1.317
  345   1HD   PRO  46          HD2       PRO  46 -25.917  13.061  -3.039
  346   2HD   PRO  46          HD3       PRO  46 -25.058  12.465  -1.584
  347    H    ASN  47           H        ASN  47 -25.362  12.034  -5.755
  348    HA   ASN  47           HA       ASN  47 -25.779  10.378  -8.069
  349   1HB   ASN  47          HB2       ASN  47 -26.133  12.771  -8.294
  350   2HB   ASN  47          HB3       ASN  47 -24.492  13.118  -7.735
  351   1HD2  ASN  47          HD22      ASN  47 -24.081  14.354  -9.694
  352   2HD2  ASN  47          HD21      ASN  47 -23.843  13.510 -11.211
  353    H    ALA  48           H        ALA  48 -22.747  11.587  -6.466
  354    HA   ALA  48           HA       ALA  48 -21.033  10.591  -8.524
  355   1HB   ALA  48          HB1       ALA  48 -20.320  12.315  -6.888
  356   2HB   ALA  48          HB2       ALA  48 -20.411  11.116  -5.578
  357   3HB   ALA  48          HB3       ALA  48 -19.231  10.916  -6.886
  358    H    VAL  49           H        VAL  49 -22.356   9.177  -5.508
  359    HA   VAL  49           HA       VAL  49 -20.909   6.716  -5.686
  360    HB   VAL  49           HB       VAL  49 -23.611   7.173  -4.371
  361   1HG1  VAL  49          HG11      VAL  49 -22.897   5.225  -2.984
  362   2HG1  VAL  49          HG12      VAL  49 -23.085   4.788  -4.683
  363   3HG1  VAL  49          HG13      VAL  49 -21.459   5.033  -4.011
  364   1HG2  VAL  49          HG21      VAL  49 -20.777   7.456  -3.296
  365   2HG2  VAL  49          HG22      VAL  49 -22.000   8.733  -3.428
  366   3HG2  VAL  49          HG23      VAL  49 -22.244   7.417  -2.287
  367    H    LYS  50           H        LYS  50 -24.334   7.476  -6.679
  368    HA   LYS  50           HA       LYS  50 -24.655   4.852  -7.680
  369   1HB   LYS  50          HB2       LYS  50 -26.479   6.517  -7.034
  370   2HB   LYS  50          HB3       LYS  50 -26.251   7.268  -8.625
  371   1HG   LYS  50          HG2       LYS  50 -26.742   5.037  -9.688
  372   2HG   LYS  50          HG3       LYS  50 -26.981   4.344  -8.078
  373   1HD   LYS  50          HD2       LYS  50 -28.865   5.909  -7.684
  374   2HD   LYS  50          HD3       LYS  50 -28.619   6.605  -9.300
  375   1HE   LYS  50          HE2       LYS  50 -29.049   4.384 -10.327
  376   2HE   LYS  50          HE3       LYS  50 -29.292   3.685  -8.720
  377   1HZ   LYS  50          HZ1       LYS  50 -31.204   5.155  -8.442
  378   2HZ   LYS  50          HZ2       LYS  50 -30.983   5.800  -9.930
  379   3HZ   LYS  50          HZ3       LYS  50 -31.392   4.232  -9.769
  380    H    ALA  51           H        ALA  51 -23.643   7.849  -9.385
  381    HA   ALA  51           HA       ALA  51 -23.723   6.868 -12.012
  382   1HB   ALA  51          HB1       ALA  51 -22.035   8.654 -12.469
  383   2HB   ALA  51          HB2       ALA  51 -23.349   9.245 -11.437
  384   3HB   ALA  51          HB3       ALA  51 -21.769   8.839 -10.726
  385    H    MET  52           H        MET  52 -21.043   6.658  -9.575
  386    HA   MET  52           HA       MET  52 -19.300   5.211 -11.382
  387   1HB   MET  52          HB2       MET  52 -19.362   5.634  -8.378
  388   2HB   MET  52          HB3       MET  52 -18.059   4.800  -9.231
  389   1HG   MET  52          HG2       MET  52 -18.667   7.427 -10.421
  390   2HG   MET  52          HG3       MET  52 -18.206   7.519  -8.729
  391   1HE   MET  52          HE1       MET  52 -16.867   4.741 -11.252
  392   2HE   MET  52          HE2       MET  52 -17.076   6.156 -12.282
  393   3HE   MET  52          HE3       MET  52 -15.437   5.559 -11.893
  394    H    LYS  53           H        LYS  53 -21.595   4.296  -8.778
  395    HA   LYS  53           HA       LYS  53 -20.844   1.583  -8.670
  396   1HB   LYS  53          HB2       LYS  53 -22.086   3.108  -7.019
  397   2HB   LYS  53          HB3       LYS  53 -23.569   2.671  -7.875
  398   1HG   LYS  53          HG2       LYS  53 -23.279   0.338  -7.189
  399   2HG   LYS  53          HG3       LYS  53 -21.627   0.674  -6.616
  400   1HD   LYS  53          HD2       LYS  53 -22.565   2.323  -4.970
  401   2HD   LYS  53          HD3       LYS  53 -24.201   1.843  -5.459
  402   1HE   LYS  53          HE2       LYS  53 -23.766  -0.456  -4.667
  403   2HE   LYS  53          HE3       LYS  53 -22.077  -0.038  -4.330
  404   1HZ   LYS  53          HZ1       LYS  53 -22.855   1.545  -2.666
  405   2HZ   LYS  53          HZ2       LYS  53 -24.418   1.123  -2.941
  406   3HZ   LYS  53          HZ3       LYS  53 -23.376   0.034  -2.319
  407    H    GLU  54           H        GLU  54 -23.237   3.236 -10.710
  408    HA   GLU  54           HA       GLU  54 -24.360   0.898 -11.883
  409   1HB   GLU  54          HB2       GLU  54 -24.146   3.813 -12.731
  410   2HB   GLU  54          HB3       GLU  54 -24.879   2.623 -13.796
  411   1HG   GLU  54          HG2       GLU  54 -25.794   3.071 -10.929
  412   2HG   GLU  54          HG3       GLU  54 -26.472   3.908 -12.321
  413    H    VAL  55           H        VAL  55 -21.221   2.387 -12.327
  414    HA   VAL  55           HA       VAL  55 -20.666   0.810 -14.768
  415    HB   VAL  55           HB       VAL  55 -18.870   2.718 -13.195
  416   1HG1  VAL  55          HG11      VAL  55 -17.487   1.263 -14.571
  417   2HG1  VAL  55          HG12      VAL  55 -18.536   1.537 -15.982
  418   3HG1  VAL  55          HG13      VAL  55 -17.557   2.854 -15.298
  419   1HG2  VAL  55          HG21      VAL  55 -20.836   3.921 -14.177
  420   2HG2  VAL  55          HG22      VAL  55 -19.337   4.338 -14.996
  421   3HG2  VAL  55          HG23      VAL  55 -20.477   3.200 -15.752
  422    H    GLY  56           H        GLY  56 -20.830   0.199 -11.449
  423   1HA   GLY  56          HA1       GLY  56 -20.239  -1.729 -10.339
  424   2HA   GLY  56          HA2       GLY  56 -19.140  -2.192 -11.646
  425    H    ILE  57           H        ILE  57 -18.892   1.076 -10.350
  426    HA   ILE  57           HA       ILE  57 -16.346   0.381  -8.940
  427    HB   ILE  57           HB       ILE  57 -17.185   2.867 -10.435
  428   1HG1  ILE  57          HG12      ILE  57 -14.953   0.875 -11.047
  429   2HG1  ILE  57          HG13      ILE  57 -16.518   0.880 -11.855
  430   1HG2  ILE  57          HG21      ILE  57 -14.906   3.729  -9.902
  431   2HG2  ILE  57          HG22      ILE  57 -15.807   3.422  -8.430
  432   3HG2  ILE  57          HG23      ILE  57 -14.576   2.263  -8.955
  433   1HD1  ILE  57          HD11      ILE  57 -16.115   3.147 -12.716
  434   2HD1  ILE  57          HD12      ILE  57 -14.478   3.115 -12.003
  435   3HD1  ILE  57          HD13      ILE  57 -14.927   1.964 -13.273
  436    H    ASP  58           H        ASP  58 -17.179   0.001  -6.964
  437    HA   ASP  58           HA       ASP  58 -19.399   1.570  -5.902
  438   1HB   ASP  58          HB2       ASP  58 -19.310  -0.807  -5.447
  439   2HB   ASP  58          HB3       ASP  58 -17.725  -0.643  -4.669
  440    H    ILE  59           H        ILE  59 -18.452   3.707  -5.904
  441    HA   ILE  59           HA       ILE  59 -16.230   4.209  -4.120
  442    HB   ILE  59           HB       ILE  59 -16.340   6.451  -4.687
  443   1HG1  ILE  59          HG12      ILE  59 -18.893   6.250  -6.265
  444   2HG1  ILE  59          HG13      ILE  59 -18.936   6.627  -4.545
  445   1HG2  ILE  59          HG21      ILE  59 -15.456   4.945  -6.410
  446   2HG2  ILE  59          HG22      ILE  59 -17.043   4.966  -7.215
  447   3HG2  ILE  59          HG23      ILE  59 -16.097   6.456  -7.071
  448   1HD1  ILE  59          HD11      ILE  59 -17.367   8.535  -4.927
  449   2HD1  ILE  59          HD12      ILE  59 -17.543   8.279  -6.676
  450   3HD1  ILE  59          HD13      ILE  59 -18.952   8.712  -5.677
  451    H    SER  60           H        SER  60 -19.193   3.206  -3.144
  452    HA   SER  60           HA       SER  60 -20.176   5.212  -1.470
  453   1HB   SER  60          HB2       SER  60 -20.179   2.261  -0.760
  454   2HB   SER  60          HB3       SER  60 -21.340   3.501  -0.267
  455    HG   SER  60           HG       SER  60 -20.926   2.242  -2.753
  456    H    ASN  61           H        ASN  61 -17.322   3.213  -1.054
  457    HA   ASN  61           HA       ASN  61 -16.981   3.575   1.773
  458   1HB   ASN  61          HB2       ASN  61 -16.036   1.667   0.515
  459   2HB   ASN  61          HB3       ASN  61 -15.023   2.771  -0.422
  460   1HD2  ASN  61          HD22      ASN  61 -15.684   1.756   3.003
  461   2HD2  ASN  61          HD21      ASN  61 -14.043   1.989   3.539
  462    H    GLN  62           H        GLN  62 -16.354   5.719  -0.932
  463    HA   GLN  62           HA       GLN  62 -14.021   6.998   0.149
  464   1HB   GLN  62          HB2       GLN  62 -15.962   7.927  -2.005
  465   2HB   GLN  62          HB3       GLN  62 -14.401   8.670  -1.601
  466   1HG   GLN  62          HG2       GLN  62 -13.257   6.544  -2.156
  467   2HG   GLN  62          HG3       GLN  62 -14.800   5.865  -2.684
  468   1HE2  GLN  62          HE22      GLN  62 -14.893   9.138  -3.689
  469   2HE2  GLN  62          HE21      GLN  62 -14.356   8.831  -5.335
  470    H    THR  63           H        THR  63 -14.142   9.474   0.492
  471    HA   THR  63           HA       THR  63 -16.599  10.518   1.607
  472    HB   THR  63           HB       THR  63 -15.180  11.372   3.644
  473    HG1  THR  63           HG1      THR  63 -13.189  10.473   3.033
  474   1HG2  THR  63          HG21      THR  63 -17.136   9.810   3.792
  475   2HG2  THR  63          HG22      THR  63 -16.008   8.443   3.668
  476   3HG2  THR  63          HG23      THR  63 -15.907   9.561   5.044
  477    H    SER  64           H        SER  64 -16.508  12.893   1.792
  478    HA   SER  64           HA       SER  64 -14.622  14.106  -0.090
  479   1HB   SER  64          HB2       SER  64 -16.247  16.028   0.242
  480   2HB   SER  64          HB3       SER  64 -16.951  14.557  -0.430
  481    HG   SER  64           HG       SER  64 -17.140  15.450   2.261
  482    H    ASP  65           H        ASP  65 -13.674  16.192   0.528
  483    HA   ASP  65           HA       ASP  65 -13.505  17.067   3.265
  484   1HB   ASP  65          HB2       ASP  65 -11.628  15.267   3.013
  485   2HB   ASP  65          HB3       ASP  65 -10.870  16.390   1.869
  486    H    ILE  66           H        ILE  66 -12.357  19.274   3.245
  487    HA   ILE  66           HA       ILE  66 -12.420  20.489   0.534
  488    HB   ILE  66           HB       ILE  66 -12.556  22.564   1.529
  489   1HG1  ILE  66          HG12      ILE  66 -11.868  21.308   4.210
  490   2HG1  ILE  66          HG13      ILE  66 -10.901  22.468   3.274
  491   1HG2  ILE  66          HG21      ILE  66 -14.572  20.984   1.658
  492   2HG2  ILE  66          HG22      ILE  66 -14.285  20.893   3.396
  493   3HG2  ILE  66          HG23      ILE  66 -14.664  22.455   2.644
  494   1HD1  ILE  66          HD11      ILE  66 -12.844  24.100   3.506
  495   2HD1  ILE  66          HD12      ILE  66 -13.531  22.963   4.691
  496   3HD1  ILE  66          HD13      ILE  66 -11.957  23.716   5.011
  497    H    ILE  67           H        ILE  67 -10.474  21.863   0.027
  498    HA   ILE  67           HA       ILE  67  -8.303  20.154  -0.026
  499    HB   ILE  67           HB       ILE  67  -8.810  21.795  -1.719
  500   1HG1  ILE  67          HG12      ILE  67  -6.474  20.805  -1.355
  501   2HG1  ILE  67          HG13      ILE  67  -6.711  22.092  -2.510
  502   1HG2  ILE  67          HG21      ILE  67  -9.537  23.712  -0.466
  503   2HG2  ILE  67          HG22      ILE  67  -7.909  23.951   0.215
  504   3HG2  ILE  67          HG23      ILE  67  -8.195  24.152  -1.523
  505   1HD1  ILE  67          HD11      ILE  67  -4.641  22.275  -1.058
  506   2HD1  ILE  67          HD12      ILE  67  -5.653  23.727  -1.187
  507   3HD1  ILE  67          HD13      ILE  67  -5.698  22.741   0.278
  508    H    ASP  68           H        ASP  68  -6.364  19.993   0.806
  509    HA   ASP  68           HA       ASP  68  -5.677  21.531   3.241
  510   1HB   ASP  68          HB2       ASP  68  -6.628  19.339   3.938
  511   2HB   ASP  68          HB3       ASP  68  -5.386  18.514   2.981
  512    H    SER  69           H        SER  69  -3.920  22.607   2.618
  513    HA   SER  69           HA       SER  69  -2.324  22.134   0.432
  514   1HB   SER  69          HB2       SER  69  -1.305  23.499   2.919
  515   2HB   SER  69          HB3       SER  69  -1.052  23.932   1.215
  516    HG   SER  69           HG       SER  69  -2.576  25.283   2.347
  517    H    ASP  70           H        ASP  70  -2.192  20.610   3.605
  518    HA   ASP  70           HA       ASP  70   0.533  19.840   3.659
  519   1HB   ASP  70          HB2       ASP  70  -0.948  19.905   5.634
  520   2HB   ASP  70          HB3       ASP  70  -1.855  18.530   4.982
  521    H    ILE  71           H        ILE  71  -2.196  18.473   1.889
  522    HA   ILE  71           HA       ILE  71  -0.542  16.046   1.260
  523    HB   ILE  71           HB       ILE  71  -3.498  16.609   0.876
  524   1HG1  ILE  71          HG12      ILE  71  -1.936  14.532   2.483
  525   2HG1  ILE  71          HG13      ILE  71  -2.645  16.001   3.170
  526   1HG2  ILE  71          HG21      ILE  71  -1.834  14.199  -0.008
  527   2HG2  ILE  71          HG22      ILE  71  -3.615  14.297  -0.063
  528   3HG2  ILE  71          HG23      ILE  71  -2.656  15.344  -1.089
  529   1HD1  ILE  71          HD11      ILE  71  -4.099  14.194   3.686
  530   2HD1  ILE  71          HD12      ILE  71  -4.909  15.203   2.468
  531   3HD1  ILE  71          HD13      ILE  71  -4.161  13.649   2.003
  532    H    LEU  72           H        LEU  72  -2.283  18.793  -0.179
  533    HA   LEU  72           HA       LEU  72  -1.809  18.465  -2.881
  534   1HB   LEU  72          HB2       LEU  72  -3.146  20.218  -1.751
  535   2HB   LEU  72          HB3       LEU  72  -1.658  20.910  -1.114
  536    HG   LEU  72           HG       LEU  72  -1.057  21.115  -3.725
  537   1HD1  LEU  72          HD11      LEU  72  -3.045  21.751  -5.012
  538   2HD1  LEU  72          HD12      LEU  72  -3.231  20.080  -4.434
  539   3HD1  LEU  72          HD13      LEU  72  -4.101  21.396  -3.630
  540   1HD2  LEU  72          HD21      LEU  72  -2.889  23.016  -2.226
  541   2HD2  LEU  72          HD22      LEU  72  -1.136  22.920  -2.017
  542   3HD2  LEU  72          HD23      LEU  72  -1.810  23.432  -3.583
  543    H    ASN  73           H        ASN  73   0.427  20.107  -0.564
  544    HA   ASN  73           HA       ASN  73   2.444  20.572  -2.484
  545   1HB   ASN  73          HB2       ASN  73   3.713  21.457  -0.751
  546   2HB   ASN  73          HB3       ASN  73   2.076  21.614  -0.103
  547   1HD2  ASN  73          HD22      ASN  73   1.355  20.055   1.471
  548   2HD2  ASN  73          HD21      ASN  73   2.496  19.096   2.407
  549    H    ASN  74           H        ASN  74   1.637  17.534  -1.106
  550    HA   ASN  74           HA       ASN  74   4.423  16.470  -1.401
  551   1HB   ASN  74          HB2       ASN  74   2.004  15.485   0.175
  552   2HB   ASN  74          HB3       ASN  74   3.392  14.470  -0.164
  553   1HD2  ASN  74          HD22      ASN  74   2.121  16.585   2.118
  554   2HD2  ASN  74          HD21      ASN  74   3.610  16.894   2.982
  555    H    ALA  75           H        ALA  75   1.296  16.602  -2.890
  556    HA   ALA  75           HA       ALA  75   1.129  13.956  -3.834
  557   1HB   ALA  75          HB1       ALA  75  -0.012  16.508  -5.037
  558   2HB   ALA  75          HB2       ALA  75  -0.573  14.847  -5.344
  559   3HB   ALA  75          HB3       ALA  75  -0.759  15.557  -3.728
  560    H    ASP  76           H        ASP  76   1.652  13.098  -6.014
  561    HA   ASP  76           HA       ASP  76   4.074  14.249  -7.239
  562   1HB   ASP  76          HB2       ASP  76   3.587  11.795  -7.401
  563   2HB   ASP  76          HB3       ASP  76   2.120  12.169  -8.324
  564    H    LEU  77           H        LEU  77   0.571  14.364  -7.538
  565    HA   LEU  77           HA       LEU  77   0.662  16.430  -9.634
  566   1HB   LEU  77          HB2       LEU  77   0.693  14.398 -10.865
  567   2HB   LEU  77          HB3       LEU  77  -0.474  13.633  -9.781
  568    HG   LEU  77           HG       LEU  77  -2.238  15.175 -10.610
  569   1HD1  LEU  77          HD11      LEU  77  -0.731  16.994 -11.548
  570   2HD1  LEU  77          HD12      LEU  77  -0.294  15.871 -12.854
  571   3HD1  LEU  77          HD13      LEU  77  -1.966  16.414 -12.659
  572   1HD2  LEU  77          HD21      LEU  77  -0.798  13.485 -12.679
  573   2HD2  LEU  77          HD22      LEU  77  -1.915  12.868 -11.453
  574   3HD2  LEU  77          HD23      LEU  77  -2.519  13.932 -12.734
  575    H    VAL  78           H        VAL  78  -1.066  17.707  -9.623
  576    HA   VAL  78           HA       VAL  78  -3.387  17.097  -7.865
  577    HB   VAL  78           HB       VAL  78  -2.233  19.833  -8.557
  578   1HG1  VAL  78          HG11      VAL  78  -4.704  19.836  -8.212
  579   2HG1  VAL  78          HG12      VAL  78  -4.478  19.053  -6.633
  580   3HG1  VAL  78          HG13      VAL  78  -3.865  20.699  -6.930
  581   1HG2  VAL  78          HG21      VAL  78  -1.582  20.014  -6.197
  582   2HG2  VAL  78          HG22      VAL  78  -2.129  18.338  -5.900
  583   3HG2  VAL  78          HG23      VAL  78  -0.754  18.682  -6.966
  584    H    VAL  79           H        VAL  79  -5.361  17.180  -9.008
  585    HA   VAL  79           HA       VAL  79  -5.159  17.988 -11.890
  586    HB   VAL  79           HB       VAL  79  -6.933  15.793 -10.793
  587   1HG1  VAL  79          HG11      VAL  79  -7.266  15.280 -13.184
  588   2HG1  VAL  79          HG12      VAL  79  -7.764  16.937 -12.815
  589   3HG1  VAL  79          HG13      VAL  79  -6.209  16.645 -13.626
  590   1HG2  VAL  79          HG21      VAL  79  -4.285  15.568 -12.275
  591   2HG2  VAL  79          HG22      VAL  79  -4.645  14.977 -10.634
  592   3HG2  VAL  79          HG23      VAL  79  -5.426  14.229 -12.027
  593    H    THR  80           H        THR  80  -6.078  19.881 -12.053
  594    HA   THR  80           HA       THR  80  -8.218  20.705 -10.215
  595    HB   THR  80           HB       THR  80  -7.892  22.924 -11.208
  596    HG1  THR  80           HG1      THR  80  -5.878  21.630 -12.744
  597   1HG2  THR  80          HG21      THR  80  -5.367  21.555 -10.154
  598   2HG2  THR  80          HG22      THR  80  -5.613  23.301 -10.238
  599   3HG2  THR  80          HG23      THR  80  -6.653  22.314  -9.194
  600    H    LEU  81           H        LEU  81  -9.979  19.583 -10.774
  601    HA   LEU  81           HA       LEU  81 -10.522  18.737 -13.456
  602   1HB   LEU  81          HB2       LEU  81 -12.210  18.750 -10.938
  603   2HB   LEU  81          HB3       LEU  81 -12.728  17.986 -12.438
  604    HG   LEU  81           HG       LEU  81 -10.192  17.219 -10.919
  605   1HD1  LEU  81          HD11      LEU  81 -12.231  16.759  -9.604
  606   2HD1  LEU  81          HD12      LEU  81 -12.896  15.832 -10.976
  607   3HD1  LEU  81          HD13      LEU  81 -11.434  15.276 -10.146
  608   1HD2  LEU  81          HD21      LEU  81 -10.328  15.142 -12.319
  609   2HD2  LEU  81          HD22      LEU  81 -11.667  15.864 -13.224
  610   3HD2  LEU  81          HD23      LEU  81 -10.055  16.584 -13.293
  611    H    CYS  82           H        CYS  82 -11.133  21.828 -12.040
  612    HA   CYS  82           HA       CYS  82 -12.543  22.494 -14.481
  613   1HB   CYS  82          HB2       CYS  82 -14.381  21.943 -12.895
  614   2HB   CYS  82          HB3       CYS  82 -13.783  23.203 -11.790
  615    HG   CYS  82           HG       CYS  82 -15.880  24.152 -13.046
  616    H    GLY  83           H        GLY  83 -12.100  24.649 -15.085
  617   1HA   GLY  83          HA1       GLY  83  -9.569  25.500 -14.274
  618   2HA   GLY  83          HA2       GLY  83 -10.683  26.417 -15.310
  619    H    ASP  84           H        ASP  84 -12.783  26.747 -13.270
  620    HA   ASP  84           HA       ASP  84 -11.775  29.051 -11.909
  621   1HB   ASP  84          HB2       ASP  84 -14.163  28.689 -12.520
  622   2HB   ASP  84          HB3       ASP  84 -14.271  27.431 -11.282
  623    H    ALA  85           H        ALA  85 -11.768  25.639 -11.061
  624    HA   ALA  85           HA       ALA  85 -11.372  26.045  -8.210
  625   1HB   ALA  85          HB1       ALA  85 -11.079  23.696  -8.101
  626   2HB   ALA  85          HB2       ALA  85 -12.305  23.912  -9.361
  627   3HB   ALA  85          HB3       ALA  85 -10.623  23.558  -9.799
  628    H    ALA  86           H        ALA  86  -9.335  26.025 -11.096
  629    HA   ALA  86           HA       ALA  86  -6.991  24.993  -9.926
  630   1HB   ALA  86          HB1       ALA  86  -7.190  26.897 -12.293
  631   2HB   ALA  86          HB2       ALA  86  -5.862  25.779 -11.929
  632   3HB   ALA  86          HB3       ALA  86  -7.454  25.135 -12.377
  633    H    ASP  87           H        ASP  87  -8.351  28.185  -9.607
  634    HA   ASP  87           HA       ASP  87  -6.038  29.662  -8.890
  635   1HB   ASP  87          HB2       ASP  87  -8.243  30.688  -9.250
  636   2HB   ASP  87          HB3       ASP  87  -8.891  29.820  -7.852
  637    H    LYS  88           H        LYS  88  -7.928  27.237  -7.128
  638    HA   LYS  88           HA       LYS  88  -6.737  27.956  -4.550
  639   1HB   LYS  88          HB2       LYS  88  -9.182  27.286  -4.968
  640   2HB   LYS  88          HB3       LYS  88  -8.585  25.642  -5.194
  641   1HG   LYS  88          HG2       LYS  88  -9.336  25.755  -2.985
  642   2HG   LYS  88          HG3       LYS  88  -7.572  25.825  -2.858
  643   1HD   LYS  88          HD2       LYS  88  -7.649  28.244  -2.470
  644   2HD   LYS  88          HD3       LYS  88  -9.407  28.261  -2.768
  645   1HE   LYS  88          HE2       LYS  88  -9.746  26.709  -0.877
  646   2HE   LYS  88          HE3       LYS  88  -8.007  26.679  -0.568
  647   1HZ   LYS  88          HZ1       LYS  88  -8.123  29.060  -0.061
  648   2HZ   LYS  88          HZ2       LYS  88  -9.733  29.086  -0.345
  649   3HZ   LYS  88          HZ3       LYS  88  -9.137  28.232   0.906
  650    H    CYS  89           H        CYS  89  -4.589  27.479  -5.815
  651    HA   CYS  89           HA       CYS  89  -3.715  24.735  -4.990
  652   1HB   CYS  89          HB2       CYS  89  -2.663  26.341  -7.349
  653   2HB   CYS  89          HB3       CYS  89  -1.996  24.820  -6.733
  654    HG   CYS  89           HG       CYS  89  -4.840  25.537  -8.192
  655    HA   PRO  90           HA       PRO  90  -2.003  28.243  -2.511
  656   1HB   PRO  90          HB2       PRO  90  -1.767  26.845  -0.085
  657   2HB   PRO  90          HB3       PRO  90  -3.136  27.861  -0.623
  658   1HG   PRO  90          HG2       PRO  90  -2.822  24.868  -0.818
  659   2HG   PRO  90          HG3       PRO  90  -4.280  25.804  -0.362
  660   1HD   PRO  90          HD2       PRO  90  -4.035  24.805  -2.848
  661   2HD   PRO  90          HD3       PRO  90  -4.682  26.448  -2.603
  662    H    MET  91           H        MET  91  -0.637  24.978  -2.839
  663    HA   MET  91           HA       MET  91   1.964  26.094  -3.250
  664   1HB   MET  91          HB2       MET  91   3.063  24.660  -1.417
  665   2HB   MET  91          HB3       MET  91   2.325  26.182  -0.942
  666   1HG   MET  91          HG2       MET  91   0.351  25.034  -0.085
  667   2HG   MET  91          HG3       MET  91   0.955  23.488  -0.663
  668   1HE   MET  91          HE1       MET  91   1.143  26.290   2.020
  669   2HE   MET  91          HE2       MET  91   2.562  25.843   2.991
  670   3HE   MET  91          HE3       MET  91   2.781  26.468   1.345
  671    H    THR  92           H        THR  92   2.540  24.963  -5.014
  672    HA   THR  92           HA       THR  92   2.523  22.001  -4.833
  673    HB   THR  92           HB       THR  92   1.910  21.872  -7.250
  674    HG1  THR  92           HG1      THR  92   2.312  24.106  -7.718
  675   1HG2  THR  92          HG21      THR  92   0.267  21.467  -5.450
  676   2HG2  THR  92          HG22      THR  92  -0.256  23.164  -5.566
  677   3HG2  THR  92          HG23      THR  92  -0.451  22.067  -6.950
  678    HA   PRO  93           HA       PRO  93   6.777  23.785  -5.482
  679   1HB   PRO  93          HB2       PRO  93   7.315  21.200  -4.016
  680   2HB   PRO  93          HB3       PRO  93   8.113  22.790  -3.814
  681   1HG   PRO  93          HG2       PRO  93   6.281  21.943  -2.015
  682   2HG   PRO  93          HG3       PRO  93   6.264  23.647  -2.581
  683   1HD   PRO  93          HD2       PRO  93   4.540  21.342  -3.507
  684   2HD   PRO  93          HD3       PRO  93   4.070  23.013  -3.092
  685    HA   PRO  94           HA       PRO  94   8.032  21.171  -8.922
  686   1HB   PRO  94          HB2       PRO  94  10.661  20.655  -7.517
  687   2HB   PRO  94          HB3       PRO  94  10.371  21.131  -9.220
  688   1HG   PRO  94          HG2       PRO  94  11.159  22.985  -7.414
  689   2HG   PRO  94          HG3       PRO  94   9.850  23.377  -8.576
  690   1HD   PRO  94          HD2       PRO  94   9.604  22.536  -5.681
  691   2HD   PRO  94          HD3       PRO  94   8.740  23.836  -6.558
  692    H    HIS  95           H        HIS  95   8.182  19.741  -5.715
  693    HA   HIS  95           HA       HIS  95   8.481  16.991  -6.453
  694   1HB   HIS  95          HB2       HIS  95   6.860  18.170  -4.160
  695   2HB   HIS  95          HB3       HIS  95   7.518  16.541  -4.262
  696    HD1  HIS  95           HD1      HIS  95  10.548  17.033  -4.861
  697    HD2  HIS  95           HD2      HIS  95   8.175  19.383  -2.293
  698    HE1  HIS  95           HE1      HIS  95  12.155  18.212  -3.281
  699    H    VAL  96           H        VAL  96   6.019  19.221  -7.184
  700    HA   VAL  96           HA       VAL  96   3.842  17.235  -7.559
  701    HB   VAL  96           HB       VAL  96   3.533  20.192  -6.893
  702   1HG1  VAL  96          HG11      VAL  96   1.519  19.229  -7.722
  703   2HG1  VAL  96          HG12      VAL  96   1.668  17.816  -6.659
  704   3HG1  VAL  96          HG13      VAL  96   1.328  19.413  -5.985
  705   1HG2  VAL  96          HG21      VAL  96   3.078  19.654  -4.533
  706   2HG2  VAL  96          HG22      VAL  96   3.758  18.043  -4.775
  707   3HG2  VAL  96          HG23      VAL  96   4.772  19.477  -4.976
  708    H    LYS  97           H        LYS  97   2.427  17.850  -9.330
  709    HA   LYS  97           HA       LYS  97   3.271  20.014 -11.128
  710   1HB   LYS  97          HB2       LYS  97   3.310  18.690 -13.090
  711   2HB   LYS  97          HB3       LYS  97   4.295  17.824 -11.920
  712   1HG   LYS  97          HG2       LYS  97   1.909  16.583 -11.485
  713   2HG   LYS  97          HG3       LYS  97   1.678  17.094 -13.166
  714   1HD   LYS  97          HD2       LYS  97   3.914  15.976 -13.688
  715   2HD   LYS  97          HD3       LYS  97   3.926  15.401 -12.009
  716   1HE   LYS  97          HE2       LYS  97   1.545  14.433 -12.587
  717   2HE   LYS  97          HE3       LYS  97   2.011  14.656 -14.271
  718   1HZ   LYS  97          HZ1       LYS  97   4.005  13.242 -13.693
  719   2HZ   LYS  97          HZ2       LYS  97   3.330  12.965 -12.208
  720   3HZ   LYS  97          HZ3       LYS  97   2.583  12.450 -13.569
  721    H    ARG  98           H        ARG  98   1.312  20.369 -12.746
  722    HA   ARG  98           HA       ARG  98  -1.210  19.653 -11.342
  723   1HB   ARG  98          HB2       ARG  98  -0.592  22.424 -12.423
  724   2HB   ARG  98          HB3       ARG  98  -2.114  21.861 -11.721
  725   1HG   ARG  98          HG2       ARG  98  -0.661  21.289  -9.606
  726   2HG   ARG  98          HG3       ARG  98   0.529  22.381 -10.321
  727   1HD   ARG  98          HD2       ARG  98  -2.356  23.033  -9.596
  728   2HD   ARG  98          HD3       ARG  98  -0.938  23.515  -8.679
  729    HE   ARG  98           HE       ARG  98  -1.771  24.519 -11.360
  730   1HH1  ARG  98          HH21      ARG  98   0.346  24.973  -8.509
  731   2HH1  ARG  98          HH22      ARG  98   0.631  26.639  -8.852
  732   1HH2  ARG  98          HH11      ARG  98  -1.286  26.698 -11.831
  733   2HH2  ARG  98          HH12      ARG  98  -0.266  27.617 -10.794
  734    H    GLU  99           H        GLU  99  -3.035  19.542 -12.648
  735    HA   GLU  99           HA       GLU  99  -2.683  19.729 -15.565
  736   1HB   GLU  99          HB2       GLU  99  -2.310  17.364 -14.852
  737   2HB   GLU  99          HB3       GLU  99  -3.895  17.350 -14.075
  738   1HG   GLU  99          HG2       GLU  99  -3.817  16.217 -16.275
  739   2HG   GLU  99          HG3       GLU  99  -5.007  17.522 -16.198
  740    H    HIS 100           H        HIS 100  -4.867  19.994 -16.611
  741    HA   HIS 100           HA       HIS 100  -6.836  21.298 -14.781
  742   1HB   HIS 100          HB2       HIS 100  -5.217  22.981 -15.350
  743   2HB   HIS 100          HB3       HIS 100  -5.200  22.497 -17.041
  744    HD1  HIS 100           HD1      HIS 100  -7.516  23.144 -18.474
  745    HD2  HIS 100           HD2      HIS 100  -6.781  24.977 -14.757
  746    HE1  HIS 100           HE1      HIS 100  -8.931  25.260 -18.429
  747    H    TRP 101           H        TRP 101  -8.886  21.041 -15.380
  748    HA   TRP 101           HA       TRP 101  -9.648  20.551 -18.196
  749   1HB   TRP 101          HB2       TRP 101 -10.812  18.977 -15.903
  750   2HB   TRP 101          HB3       TRP 101 -11.046  18.750 -17.636
  751    HD1  TRP 101           HD1      TRP 101  -8.851  17.792 -14.774
  752    HE1  TRP 101           HE1      TRP 101  -7.004  16.183 -15.476
  753    HE3  TRP 101           HE3      TRP 101  -9.334  18.192 -19.857
  754    HZ2  TRP 101           HZ2      TRP 101  -5.839  15.206 -17.932
  755    HZ3  TRP 101           HZ3      TRP 101  -7.811  16.930 -21.352
  756    HH2  TRP 101           HH2      TRP 101  -6.070  15.423 -20.397
  757    H    GLY 102           H        GLY 102 -12.435  20.472 -17.780
  758   1HA   GLY 102          HA1       GLY 102 -13.035  23.101 -16.480
  759   2HA   GLY 102          HA2       GLY 102 -13.333  22.826 -18.190
  760    H    PHE 103           H        PHE 103 -13.897  20.547 -15.428
  761    HA   PHE 103           HA       PHE 103 -16.462  19.897 -16.594
  762   1HB   PHE 103          HB2       PHE 103 -14.963  18.840 -14.179
  763   2HB   PHE 103          HB3       PHE 103 -16.556  18.266 -14.670
  764    HD1  PHE 103           HD1      PHE 103 -12.981  18.020 -15.373
  765    HD2  PHE 103           HD2      PHE 103 -16.918  17.372 -17.008
  766    HE1  PHE 103           HE1      PHE 103 -11.984  16.736 -17.222
  767    HE2  PHE 103           HE2      PHE 103 -15.937  16.054 -18.836
  768    HZ   PHE 103           HZ       PHE 103 -13.473  15.711 -18.968
  769    H    ASP 104           H        ASP 104 -18.187  21.073 -16.327
  770    HA   ASP 104           HA       ASP 104 -18.821  22.764 -14.092
  771   1HB   ASP 104          HB2       ASP 104 -19.815  22.979 -16.370
  772   2HB   ASP 104          HB3       ASP 104 -20.610  21.413 -16.149
  773    H    ASP 105           H        ASP 105 -20.707  22.298 -12.585
  774    HA   ASP 105           HA       ASP 105 -20.101  19.734 -11.343
  775   1HB   ASP 105          HB2       ASP 105 -20.351  21.911 -10.079
  776   2HB   ASP 105          HB3       ASP 105 -22.094  21.746 -10.312
  777    HA   PRO 106           HA       PRO 106 -23.494  17.969 -13.564
  778   1HB   PRO 106          HB2       PRO 106 -23.459  15.375 -12.619
  779   2HB   PRO 106          HB3       PRO 106 -22.248  16.033 -13.754
  780   1HG   PRO 106          HG2       PRO 106 -22.036  15.757 -10.746
  781   2HG   PRO 106          HG3       PRO 106 -20.826  15.311 -11.992
  782   1HD   PRO 106          HD2       PRO 106 -20.701  17.667 -10.628
  783   2HD   PRO 106          HD3       PRO 106 -20.223  17.556 -12.351
  784    H    ALA 107           H        ALA 107 -23.464  17.877  -9.976
  785    HA   ALA 107           HA       ALA 107 -26.094  16.796  -9.723
  786   1HB   ALA 107          HB1       ALA 107 -25.937  17.543  -7.392
  787   2HB   ALA 107          HB2       ALA 107 -24.439  16.741  -7.912
  788   3HB   ALA 107          HB3       ALA 107 -24.503  18.513  -7.780
  789    H    ARG 108           H        ARG 108 -25.020  19.926 -10.696
  790    HA   ARG 108           HA       ARG 108 -27.594  21.233 -10.000
  791   1HB   ARG 108          HB2       ARG 108 -24.868  22.319 -10.873
  792   2HB   ARG 108          HB3       ARG 108 -26.327  23.299 -10.762
  793   1HG   ARG 108          HG2       ARG 108 -25.355  23.715  -8.739
  794   2HG   ARG 108          HG3       ARG 108 -26.558  22.481  -8.351
  795   1HD   ARG 108          HD2       ARG 108 -24.705  20.767  -8.357
  796   2HD   ARG 108          HD3       ARG 108 -23.552  22.077  -8.659
  797    HE   ARG 108           HE       ARG 108 -25.003  22.836  -6.409
  798   1HH1  ARG 108          HH21      ARG 108 -22.813  20.143  -7.267
  799   2HH1  ARG 108          HH22      ARG 108 -22.318  19.874  -5.634
  800   1HH2  ARG 108          HH11      ARG 108 -24.333  22.449  -4.252
  801   2HH2  ARG 108          HH12      ARG 108 -23.202  21.204  -3.890
  802    H    ALA 109           H        ALA 109 -26.459  19.380 -12.541
  803    HA   ALA 109           HA       ALA 109 -27.289  20.884 -14.792
  804   1HB   ALA 109          HB1       ALA 109 -27.450  18.671 -15.877
  805   2HB   ALA 109          HB2       ALA 109 -25.961  18.768 -14.901
  806   3HB   ALA 109          HB3       ALA 109 -27.371  17.867 -14.297
  807    H    GLN 110           H        GLN 110 -29.342  20.843 -15.836
  808    HA   GLN 110           HA       GLN 110 -31.673  19.807 -14.408
  809   1HB   GLN 110          HB2       GLN 110 -32.629  22.031 -13.928
  810   2HB   GLN 110          HB3       GLN 110 -31.151  21.718 -13.037
  811   1HG   GLN 110          HG2       GLN 110 -29.932  23.078 -14.897
  812   2HG   GLN 110          HG3       GLN 110 -31.548  23.583 -15.402
  813   1HE2  GLN 110          HE22      GLN 110 -29.308  23.439 -12.577
  814   2HE2  GLN 110          HE21      GLN 110 -29.934  24.874 -11.786
  815    H    GLY 111           H        GLY 111 -33.701  20.477 -15.476
  816   1HA   GLY 111          HA1       GLY 111 -34.411  21.697 -17.692
  817   2HA   GLY 111          HA2       GLY 111 -33.456  20.380 -18.417
  818    H    THR 112           H        THR 112 -33.895  18.263 -16.809
  819    HA   THR 112           HA       THR 112 -36.447  17.871 -15.738
  820    HB   THR 112           HB       THR 112 -37.317  17.702 -17.964
  821    HG1  THR 112           HG1      THR 112 -38.182  15.733 -17.847
  822   1HG2  THR 112          HG21      THR 112 -36.501  16.031 -19.624
  823   2HG2  THR 112          HG22      THR 112 -35.360  17.347 -19.338
  824   3HG2  THR 112          HG23      THR 112 -35.076  15.756 -18.602
  825    H    GLU 113           H        GLU 113 -36.492  15.439 -15.015
  826    HA   GLU 113           HA       GLU 113 -34.090  14.991 -13.561
  827   1HB   GLU 113          HB2       GLU 113 -36.256  14.227 -12.769
  828   2HB   GLU 113          HB3       GLU 113 -36.454  13.169 -14.175
  829   1HG   GLU 113          HG2       GLU 113 -34.580  11.776 -13.466
  830   2HG   GLU 113          HG3       GLU 113 -34.207  12.881 -12.136
  831    H    GLU 114           H        GLU 114 -35.321  13.561 -16.580
  832    HA   GLU 114           HA       GLU 114 -33.167  11.691 -16.794
  833   1HB   GLU 114          HB2       GLU 114 -33.967  11.232 -19.039
  834   2HB   GLU 114          HB3       GLU 114 -35.289  11.252 -17.874
  835   1HG   GLU 114          HG2       GLU 114 -35.940  13.517 -18.629
  836   2HG   GLU 114          HG3       GLU 114 -34.600  13.528 -19.784
  837    H    GLU 115           H        GLU 115 -33.453  15.088 -17.683
  838    HA   GLU 115           HA       GLU 115 -31.187  15.070 -19.473
  839   1HB   GLU 115          HB2       GLU 115 -33.026  16.765 -19.590
  840   2HB   GLU 115          HB3       GLU 115 -32.510  17.397 -18.027
  841   1HG   GLU 115          HG2       GLU 115 -31.627  18.833 -19.696
  842   2HG   GLU 115          HG3       GLU 115 -30.269  17.936 -19.036
  843    H    LYS 116           H        LYS 116 -31.841  15.950 -16.055
  844    HA   LYS 116           HA       LYS 116 -29.205  16.617 -15.292
  845   1HB   LYS 116          HB2       LYS 116 -31.039  17.190 -13.876
  846   2HB   LYS 116          HB3       LYS 116 -31.612  15.521 -13.802
  847   1HG   LYS 116          HG2       LYS 116 -29.716  14.833 -12.508
  848   2HG   LYS 116          HG3       LYS 116 -28.956  16.431 -12.629
  849   1HD   LYS 116          HD2       LYS 116 -31.721  16.185 -11.424
  850   2HD   LYS 116          HD3       LYS 116 -30.322  15.631 -10.487
  851   1HE   LYS 116          HE2       LYS 116 -29.263  17.920 -10.906
  852   2HE   LYS 116          HE3       LYS 116 -30.831  18.427 -11.544
  853   1HZ   LYS 116          HZ1       LYS 116 -31.806  17.919  -9.379
  854   2HZ   LYS 116          HZ2       LYS 116 -30.350  17.445  -8.792
  855   3HZ   LYS 116          HZ3       LYS 116 -30.587  18.993  -9.221
  856    H    TRP 117           H        TRP 117 -30.863  13.425 -15.199
  857    HA   TRP 117           HA       TRP 117 -28.575  12.004 -14.271
  858   1HB   TRP 117          HB2       TRP 117 -30.841  11.045 -14.218
  859   2HB   TRP 117          HB3       TRP 117 -30.877  10.986 -15.981
  860    HD1  TRP 117           HD1      TRP 117 -29.453   9.097 -17.177
  861    HE1  TRP 117           HE1      TRP 117 -28.321   6.927 -16.376
  862    HE3  TRP 117           HE3      TRP 117 -29.484   9.969 -12.137
  863    HZ2  TRP 117           HZ2      TRP 117 -27.273   5.875 -13.929
  864    HZ3  TRP 117           HZ3      TRP 117 -28.263   8.454 -10.610
  865    HH2  TRP 117           HH2      TRP 117 -27.145   6.405 -11.492
  866    H    ALA 118           H        ALA 118 -29.705  12.675 -17.662
  867    HA   ALA 118           HA       ALA 118 -27.674  11.200 -18.941
  868   1HB   ALA 118          HB1       ALA 118 -28.096  12.668 -20.887
  869   2HB   ALA 118          HB2       ALA 118 -29.610  12.122 -20.140
  870   3HB   ALA 118          HB3       ALA 118 -29.026  13.777 -19.858
  871    H    PHE 119           H        PHE 119 -27.623  14.557 -17.672
  872    HA   PHE 119           HA       PHE 119 -25.016  15.190 -18.592
  873   1HB   PHE 119          HB2       PHE 119 -26.866  16.709 -17.627
  874   2HB   PHE 119          HB3       PHE 119 -26.251  16.259 -16.046
  875    HD1  PHE 119           HD1      PHE 119 -23.809  16.824 -15.479
  876    HD2  PHE 119           HD2      PHE 119 -25.827  18.380 -18.954
  877    HE1  PHE 119           HE1      PHE 119 -22.201  18.727 -15.563
  878    HE2  PHE 119           HE2      PHE 119 -24.196  20.244 -19.066
  879    HZ   PHE 119           HZ       PHE 119 -22.386  20.422 -17.372
  880    H    PHE 120           H        PHE 120 -26.134  13.603 -15.519
  881    HA   PHE 120           HA       PHE 120 -23.611  13.314 -14.275
  882   1HB   PHE 120          HB2       PHE 120 -25.733  11.144 -14.314
  883   2HB   PHE 120          HB3       PHE 120 -24.460  11.379 -13.167
  884    HD1  PHE 120           HD1      PHE 120 -25.506  14.672 -13.243
  885    HD2  PHE 120           HD2      PHE 120 -26.986  10.753 -12.226
  886    HE1  PHE 120           HE1      PHE 120 -26.970  15.653 -11.517
  887    HE2  PHE 120           HE2      PHE 120 -28.476  11.755 -10.517
  888    HZ   PHE 120           HZ       PHE 120 -28.426  14.209 -10.121
  889    H    GLN 121           H        GLN 121 -25.266  11.201 -16.701
  890    HA   GLN 121           HA       GLN 121 -23.207   9.263 -16.840
  891   1HB   GLN 121          HB2       GLN 121 -25.234   9.971 -18.982
  892   2HB   GLN 121          HB3       GLN 121 -24.228   8.527 -18.939
  893   1HG   GLN 121          HG2       GLN 121 -26.427   9.255 -16.969
  894   2HG   GLN 121          HG3       GLN 121 -26.457   7.980 -18.168
  895   1HE2  GLN 121          HE22      GLN 121 -25.540   8.797 -14.908
  896   2HE2  GLN 121          HE21      GLN 121 -24.825   7.259 -14.509
  897    H    ARG 122           H        ARG 122 -23.722  12.185 -18.836
  898    HA   ARG 122           HA       ARG 122 -21.492  11.760 -20.563
  899   1HB   ARG 122          HB2       ARG 122 -23.087  14.210 -19.758
  900   2HB   ARG 122          HB3       ARG 122 -21.539  14.428 -20.560
  901   1HG   ARG 122          HG2       ARG 122 -23.158  14.491 -22.264
  902   2HG   ARG 122          HG3       ARG 122 -22.278  12.971 -22.437
  903   1HD   ARG 122          HD2       ARG 122 -24.174  11.792 -21.288
  904   2HD   ARG 122          HD3       ARG 122 -25.039  13.330 -21.198
  905    HE   ARG 122           HE       ARG 122 -24.550  11.649 -23.564
  906   1HH1  ARG 122          HH21      ARG 122 -25.789  14.768 -22.388
  907   2HH1  ARG 122          HH22      ARG 122 -26.732  15.081 -23.796
  908   1HH2  ARG 122          HH11      ARG 122 -25.795  12.078 -25.441
  909   2HH2  ARG 122          HH12      ARG 122 -26.726  13.520 -25.571
  910    H    VAL 123           H        VAL 123 -21.684  13.640 -17.465
  911    HA   VAL 123           HA       VAL 123 -18.943  14.353 -17.604
  912    HB   VAL 123           HB       VAL 123 -20.845  14.254 -15.237
  913   1HG1  VAL 123          HG11      VAL 123 -19.220  15.777 -14.103
  914   2HG1  VAL 123          HG12      VAL 123 -18.540  14.164 -14.350
  915   3HG1  VAL 123          HG13      VAL 123 -18.055  15.496 -15.416
  916   1HG2  VAL 123          HG21      VAL 123 -21.415  15.896 -17.038
  917   2HG2  VAL 123          HG22      VAL 123 -20.845  16.730 -15.587
  918   3HG2  VAL 123          HG23      VAL 123 -19.767  16.539 -16.977
  919    H    ARG 124           H        ARG 124 -20.454  11.433 -15.940
  920    HA   ARG 124           HA       ARG 124 -17.903  10.623 -14.987
  921   1HB   ARG 124          HB2       ARG 124 -18.755   8.368 -14.698
  922   2HB   ARG 124          HB3       ARG 124 -19.901   9.548 -14.065
  923   1HG   ARG 124          HG2       ARG 124 -21.401   9.178 -15.867
  924   2HG   ARG 124          HG3       ARG 124 -20.212   8.291 -16.821
  925   1HD   ARG 124          HD2       ARG 124 -20.206   6.512 -15.008
  926   2HD   ARG 124          HD3       ARG 124 -21.593   7.344 -14.309
  927    HE   ARG 124           HE       ARG 124 -22.951   6.535 -15.974
  928   1HH1  ARG 124          HH21      ARG 124 -19.607   5.927 -17.058
  929   2HH1  ARG 124          HH22      ARG 124 -20.108   5.010 -18.430
  930   1HH2  ARG 124          HH11      ARG 124 -23.569   5.401 -17.744
  931   2HH2  ARG 124          HH12      ARG 124 -22.422   4.653 -18.818
  932    H    ASP 125           H        ASP 125 -19.480   9.960 -18.121
  933    HA   ASP 125           HA       ASP 125 -17.559   8.106 -19.047
  934   1HB   ASP 125          HB2       ASP 125 -19.697   8.415 -20.172
  935   2HB   ASP 125          HB3       ASP 125 -19.273  10.072 -20.610
  936    H    GLU 126           H        GLU 126 -17.639  11.700 -19.304
  937    HA   GLU 126           HA       GLU 126 -15.240  11.859 -20.828
  938   1HB   GLU 126          HB2       GLU 126 -16.799  13.892 -19.207
  939   2HB   GLU 126          HB3       GLU 126 -15.330  14.276 -20.128
  940   1HG   GLU 126          HG2       GLU 126 -16.384  13.456 -22.203
  941   2HG   GLU 126          HG3       GLU 126 -17.878  13.123 -21.335
  942    H    ILE 127           H        ILE 127 -15.891  12.017 -17.268
  943    HA   ILE 127           HA       ILE 127 -13.193  12.695 -16.602
  944    HB   ILE 127           HB       ILE 127 -15.595  12.475 -15.194
  945   1HG1  ILE 127          HG12      ILE 127 -14.173  13.036 -13.140
  946   2HG1  ILE 127          HG13      ILE 127 -12.770  12.951 -14.211
  947   1HG2  ILE 127          HG21      ILE 127 -15.289  11.080 -13.292
  948   2HG2  ILE 127          HG22      ILE 127 -15.344  10.144 -14.786
  949   3HG2  ILE 127          HG23      ILE 127 -13.778  10.428 -13.969
  950   1HD1  ILE 127          HD11      ILE 127 -13.711  15.272 -13.961
  951   2HD1  ILE 127          HD12      ILE 127 -13.802  14.704 -15.647
  952   3HD1  ILE 127          HD13      ILE 127 -15.253  14.703 -14.622
  953    H    GLY 128           H        GLY 128 -14.887   9.568 -17.031
  954   1HA   GLY 128          HA1       GLY 128 -12.740   7.869 -16.278
  955   2HA   GLY 128          HA2       GLY 128 -14.100   7.453 -17.348
  956    H    ASN 129           H        ASN 129 -13.808   9.063 -19.509
  957    HA   ASN 129           HA       ASN 129 -11.670   8.119 -21.072
  958   1HB   ASN 129          HB2       ASN 129 -13.391   9.049 -22.318
  959   2HB   ASN 129          HB3       ASN 129 -13.577  10.431 -21.245
  960   1HD2  ASN 129          HD22      ASN 129 -12.355  12.287 -21.519
  961   2HD2  ASN 129          HD21      ASN 129 -10.999  12.384 -22.634
  962    H    ARG 130           H        ARG 130 -11.824  11.102 -19.083
  963    HA   ARG 130           HA       ARG 130  -9.315  12.136 -19.876
  964   1HB   ARG 130          HB2       ARG 130 -11.319  12.775 -17.871
  965   2HB   ARG 130          HB3       ARG 130  -9.776  12.697 -17.062
  966   1HG   ARG 130          HG2       ARG 130 -10.034  14.910 -17.663
  967   2HG   ARG 130          HG3       ARG 130  -8.851  14.289 -18.807
  968   1HD   ARG 130          HD2       ARG 130 -11.785  14.303 -19.576
  969   2HD   ARG 130          HD3       ARG 130 -10.905  15.832 -19.516
  970    HE   ARG 130           HE       ARG 130  -9.722  13.641 -21.145
  971   1HH1  ARG 130          HH21      ARG 130 -11.542  16.714 -21.159
  972   2HH1  ARG 130          HH22      ARG 130 -11.192  17.042 -22.813
  973   1HH2  ARG 130          HH11      ARG 130  -9.296  14.054 -23.262
  974   2HH2  ARG 130          HH12      ARG 130  -9.874  15.498 -24.058
  975    H    LEU 131           H        LEU 131 -10.132   9.937 -17.146
  976    HA   LEU 131           HA       LEU 131  -7.379   9.752 -16.350
  977   1HB   LEU 131          HB2       LEU 131  -9.898   8.364 -15.548
  978   2HB   LEU 131          HB3       LEU 131  -8.388   7.510 -15.248
  979    HG   LEU 131           HG       LEU 131  -9.065   8.788 -13.336
  980   1HD1  LEU 131          HD11      LEU 131  -6.634   8.336 -13.828
  981   2HD1  LEU 131          HD12      LEU 131  -6.503   9.989 -14.470
  982   3HD1  LEU 131          HD13      LEU 131  -6.906   9.733 -12.785
  983   1HD2  LEU 131          HD21      LEU 131  -8.590  11.341 -14.913
  984   2HD2  LEU 131          HD22      LEU 131 -10.179  10.696 -14.441
  985   3HD2  LEU 131          HD23      LEU 131  -9.027  11.196 -13.199
  986    H    LYS 132           H        LYS 132  -9.355   7.805 -18.597
  987    HA   LYS 132           HA       LYS 132  -7.390   5.829 -19.105
  988   1HB   LYS 132          HB2       LYS 132  -9.504   5.344 -19.872
  989   2HB   LYS 132          HB3       LYS 132  -9.801   6.918 -20.544
  990   1HG   LYS 132          HG2       LYS 132  -7.796   5.047 -21.845
  991   2HG   LYS 132          HG3       LYS 132  -9.540   4.859 -22.075
  992   1HD   LYS 132          HD2       LYS 132  -9.427   7.454 -22.698
  993   2HD   LYS 132          HD3       LYS 132  -7.743   7.064 -23.060
  994   1HE   LYS 132          HE2       LYS 132 -10.244   5.819 -24.277
  995   2HE   LYS 132          HE3       LYS 132  -9.108   6.918 -25.060
  996   1HZ   LYS 132          HZ1       LYS 132  -8.573   4.127 -24.254
  997   2HZ   LYS 132          HZ2       LYS 132  -8.603   4.735 -25.768
  998   3HZ   LYS 132          HZ3       LYS 132  -7.390   5.145 -24.734
  999    H    GLU 133           H        GLU 133  -7.900   8.978 -20.756
 1000    HA   GLU 133           HA       GLU 133  -5.627   8.726 -22.487
 1001   1HB   GLU 133          HB2       GLU 133  -6.862  11.210 -21.216
 1002   2HB   GLU 133          HB3       GLU 133  -5.636  11.229 -22.490
 1003   1HG   GLU 133          HG2       GLU 133  -7.122  10.320 -24.108
 1004   2HG   GLU 133          HG3       GLU 133  -8.330   9.881 -22.904
 1005    H    PHE 134           H        PHE 134  -5.928  10.271 -19.231
 1006    HA   PHE 134           HA       PHE 134  -3.256  11.074 -19.066
 1007   1HB   PHE 134          HB2       PHE 134  -4.912  11.906 -17.585
 1008   2HB   PHE 134          HB3       PHE 134  -5.341  10.288 -17.024
 1009    HD1  PHE 134           HD1      PHE 134  -4.276   9.276 -15.176
 1010    HD2  PHE 134           HD2      PHE 134  -2.613  12.836 -16.967
 1011    HE1  PHE 134           HE1      PHE 134  -2.675   9.487 -13.283
 1012    HE2  PHE 134           HE2      PHE 134  -1.003  13.022 -15.093
 1013    HZ   PHE 134           HZ       PHE 134  -1.058  11.360 -13.248
 1014    H    ALA 135           H        ALA 135  -4.691   7.924 -18.246
 1015    HA   ALA 135           HA       ALA 135  -2.307   6.827 -17.117
 1016   1HB   ALA 135          HB1       ALA 135  -4.531   5.952 -16.568
 1017   2HB   ALA 135          HB2       ALA 135  -4.767   5.438 -18.255
 1018   3HB   ALA 135          HB3       ALA 135  -3.513   4.674 -17.257
 1019    H    GLU 136           H        GLU 136  -3.778   6.658 -20.366
 1020    HA   GLU 136           HA       GLU 136  -1.889   4.733 -21.380
 1021   1HB   GLU 136          HB2       GLU 136  -3.996   6.479 -22.687
 1022   2HB   GLU 136          HB3       GLU 136  -2.949   5.387 -23.605
 1023   1HG   GLU 136          HG2       GLU 136  -3.723   3.463 -22.280
 1024   2HG   GLU 136          HG3       GLU 136  -4.824   4.497 -21.372
 1025    H    THR 137           H        THR 137  -2.317   8.230 -21.720
 1026    HA   THR 137           HA       THR 137  -0.160   8.469 -23.573
 1027    HB   THR 137           HB       THR 137  -0.744  10.781 -23.683
 1028    HG1  THR 137           HG1      THR 137  -2.638  10.259 -21.655
 1029   1HG2  THR 137          HG21      THR 137  -2.109   9.201 -24.966
 1030   2HG2  THR 137          HG22      THR 137  -3.206   8.960 -23.603
 1031   3HG2  THR 137          HG23      THR 137  -3.112  10.551 -24.392
 1032    H    GLY 138           H        GLY 138  -0.571   8.694 -20.103
 1033   1HA   GLY 138          HA1       GLY 138   0.849   9.104 -18.376
 1034   2HA   GLY 138          HA2       GLY 138   2.228   8.989 -19.493
 1035    H    LYS 139           H        LYS 139  -0.603  11.165 -19.657
 1036    HA   LYS 139           HA       LYS 139   0.802  13.297 -20.668
 1037   1HB   LYS 139          HB2       LYS 139  -1.732  12.847 -20.532
 1038   2HB   LYS 139          HB3       LYS 139  -1.693  13.694 -18.985
 1039   1HG   LYS 139          HG2       LYS 139  -1.009  15.735 -19.987
 1040   2HG   LYS 139          HG3       LYS 139  -0.489  14.955 -21.481
 1041   1HD   LYS 139          HD2       LYS 139  -3.400  15.091 -20.595
 1042   2HD   LYS 139          HD3       LYS 139  -2.619  16.255 -21.681
 1043   1HE   LYS 139          HE2       LYS 139  -1.995  14.355 -23.210
 1044   2HE   LYS 139          HE3       LYS 139  -2.924  13.254 -22.192
 1045   1HZ   LYS 139          HZ1       LYS 139  -4.910  14.561 -22.722
 1046   2HZ   LYS 139          HZ2       LYS 139  -4.035  15.585 -23.653
 1047   3HZ   LYS 139          HZ3       LYS 139  -4.202  14.028 -24.091
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1   2.083  -2.254  -2.463
    2   2H    MET   1           H2       MET   1   1.255  -1.202  -3.425
    3   3H    MET   1           H3       MET   1   2.735  -1.722  -3.877
    4    HA   MET   1           HA       MET   1   2.190  -0.090  -1.502
    5   1HB   MET   1          HB2       MET   1   4.176  -1.530  -1.250
    6   2HB   MET   1          HB3       MET   1   4.836  -0.927  -2.775
    7   1HG   MET   1          HG2       MET   1   5.897   0.140  -0.850
    8   2HG   MET   1          HG3       MET   1   5.052   1.315  -1.845
    9   1HE   MET   1          HE1       MET   1   5.049   3.221  -0.132
   10   2HE   MET   1          HE2       MET   1   4.669   3.017   1.593
   11   3HE   MET   1          HE3       MET   1   6.084   2.199   0.894
   12    H    GLU   2           H        GLU   2   1.786   2.028  -1.903
   13    HA   GLU   2           HA       GLU   2   1.716   3.093  -4.532
   14   1HB   GLU   2          HB2       GLU   2   1.296   5.227  -3.457
   15   2HB   GLU   2          HB3       GLU   2   0.255   3.971  -2.828
   16   1HG   GLU   2          HG2       GLU   2   2.806   4.708  -1.339
   17   2HG   GLU   2          HG3       GLU   2   1.404   5.756  -1.264
   18    H    ASN   3           H        ASN   3   2.882   4.850  -5.417
   19    HA   ASN   3           HA       ASN   3   5.781   4.955  -4.707
   20   1HB   ASN   3          HB2       ASN   3   5.761   3.295  -6.349
   21   2HB   ASN   3          HB3       ASN   3   4.355   3.958  -7.164
   22   1HD2  ASN   3          HD22      ASN   3   4.582   5.422  -8.831
   23   2HD2  ASN   3          HD21      ASN   3   6.143   5.941  -9.437
   24    H    LYS   4           H        LYS   4   2.944   6.470  -6.194
   25    HA   LYS   4           HA       LYS   4   4.178   9.094  -5.779
   26   1HB   LYS   4          HB2       LYS   4   3.676   9.911  -8.013
   27   2HB   LYS   4          HB3       LYS   4   4.782   8.553  -8.086
   28   1HG   LYS   4          HG2       LYS   4   2.645   7.109  -8.587
   29   2HG   LYS   4          HG3       LYS   4   1.859   8.668  -8.897
   30   1HD   LYS   4          HD2       LYS   4   3.733   9.185 -10.543
   31   2HD   LYS   4          HD3       LYS   4   4.358   7.549 -10.253
   32   1HE   LYS   4          HE2       LYS   4   1.905   6.798 -10.870
   33   2HE   LYS   4          HE3       LYS   4   1.782   8.413 -11.581
   34   1HZ   LYS   4          HZ1       LYS   4   3.865   7.740 -12.866
   35   2HZ   LYS   4          HZ2       LYS   4   3.564   6.190 -12.349
   36   3HZ   LYS   4          HZ3       LYS   4   2.482   6.971 -13.277
   37    H    ILE   5           H        ILE   5   2.274  10.804  -6.301
   38    HA   ILE   5           HA       ILE   5  -0.226   9.685  -5.129
   39    HB   ILE   5           HB       ILE   5   1.486  11.974  -4.085
   40   1HG1  ILE   5          HG12      ILE   5   0.422   9.418  -2.843
   41   2HG1  ILE   5          HG13      ILE   5   2.095   9.804  -3.235
   42   1HG2  ILE   5          HG21      ILE   5  -1.408  11.345  -3.332
   43   2HG2  ILE   5          HG22      ILE   5  -0.370  12.559  -2.532
   44   3HG2  ILE   5          HG23      ILE   5  -0.868  12.801  -4.181
   45   1HD1  ILE   5          HD11      ILE   5   0.392  11.017  -1.041
   46   2HD1  ILE   5          HD12      ILE   5   1.898  10.102  -0.897
   47   3HD1  ILE   5          HD13      ILE   5   1.923  11.739  -1.601
   48    H    ILE   6           H        ILE   6  -2.087  10.662  -5.797
   49    HA   ILE   6           HA       ILE   6  -1.891  13.037  -7.543
   50    HB   ILE   6           HB       ILE   6  -2.092  11.262  -9.072
   51   1HG1  ILE   6          HG12      ILE   6  -4.823  12.552  -8.690
   52   2HG1  ILE   6          HG13      ILE   6  -3.413  13.287  -9.469
   53   1HG2  ILE   6          HG21      ILE   6  -3.795   9.521  -9.058
   54   2HG2  ILE   6          HG22      ILE   6  -2.935   9.455  -7.536
   55   3HG2  ILE   6          HG23      ILE   6  -4.539  10.210  -7.602
   56   1HD1  ILE   6          HD11      ILE   6  -3.473  11.398 -11.156
   57   2HD1  ILE   6          HD12      ILE   6  -5.005  10.881 -10.415
   58   3HD1  ILE   6          HD13      ILE   6  -4.890  12.473 -11.164
   59    H    TYR   7           H        TYR   7  -3.494  14.524  -7.159
   60    HA   TYR   7           HA       TYR   7  -5.420  13.930  -4.973
   61   1HB   TYR   7          HB2       TYR   7  -3.328  14.921  -4.181
   62   2HB   TYR   7          HB3       TYR   7  -3.555  16.299  -5.262
   63    HD1  TYR   7           HD1      TYR   7  -6.499  14.917  -3.374
   64    HD2  TYR   7           HD2      TYR   7  -3.294  17.797  -3.410
   65    HE1  TYR   7           HE1      TYR   7  -7.273  15.794  -1.212
   66    HE2  TYR   7           HE2      TYR   7  -4.145  18.748  -1.274
   67    HH   TYR   7           HH       TYR   7  -5.404  18.359   0.501
   68    H    PHE   8           H        PHE   8  -7.405  14.115  -5.995
   69    HA   PHE   8           HA       PHE   8  -7.800  15.933  -8.259
   70   1HB   PHE   8          HB2       PHE   8  -9.713  14.162  -6.670
   71   2HB   PHE   8          HB3       PHE   8 -10.180  15.135  -8.058
   72    HD1  PHE   8           HD1      PHE   8  -9.041  11.912  -7.067
   73    HD2  PHE   8           HD2      PHE   8  -8.727  14.824 -10.230
   74    HE1  PHE   8           HE1      PHE   8  -8.120  10.184  -8.594
   75    HE2  PHE   8           HE2      PHE   8  -7.725  13.105 -11.719
   76    HZ   PHE   8           HZ       PHE   8  -7.373  10.793 -10.863
   77    H    LEU   9           H        LEU   9  -8.890  17.858  -8.260
   78    HA   LEU   9           HA       LEU   9  -9.888  18.985  -5.694
   79   1HB   LEU   9          HB2       LEU   9  -7.509  19.726  -7.297
   80   2HB   LEU   9          HB3       LEU   9  -8.653  21.038  -7.262
   81    HG   LEU   9           HG       LEU   9  -7.014  21.300  -5.523
   82   1HD1  LEU   9          HD11      LEU   9  -9.581  20.567  -4.098
   83   2HD1  LEU   9          HD12      LEU   9  -8.468  21.902  -3.771
   84   3HD1  LEU   9          HD13      LEU   9  -9.484  21.965  -5.201
   85   1HD2  LEU   9          HD21      LEU   9  -7.975  18.723  -4.261
   86   2HD2  LEU   9          HD22      LEU   9  -6.460  18.917  -5.154
   87   3HD2  LEU   9          HD23      LEU   9  -6.721  19.817  -3.656
   88    H    CYS  10           H        CYS  10 -11.848  20.070  -5.983
   89    HA   CYS  10           HA       CYS  10 -12.367  21.424  -8.497
   90   1HB   CYS  10          HB2       CYS  10 -14.485  20.372  -9.035
   91   2HB   CYS  10          HB3       CYS  10 -13.221  19.140  -9.001
   92    HG   CYS  10           HG       CYS  10 -13.687  18.148  -6.754
   93    H    THR  11           H        THR  11 -14.816  22.473  -8.220
   94    HA   THR  11           HA       THR  11 -14.562  24.061  -5.869
   95    HB   THR  11           HB       THR  11 -16.822  24.968  -6.797
   96    HG1  THR  11           HG1      THR  11 -17.188  24.449  -8.899
   97   1HG2  THR  11          HG21      THR  11 -15.582  26.280  -8.418
   98   2HG2  THR  11          HG22      THR  11 -14.546  25.991  -7.009
   99   3HG2  THR  11          HG23      THR  11 -14.291  25.059  -8.494
  100    H    GLY  12           H        GLY  12 -15.829  20.952  -6.013
  101   1HA   GLY  12          HA1       GLY  12 -16.636  21.201  -3.302
  102   2HA   GLY  12          HA2       GLY  12 -18.070  20.974  -4.322
  103    H    ASN  13           H        ASN  13 -15.478  19.435  -2.771
  104    HA   ASN  13           HA       ASN  13 -14.410  17.471  -4.339
  105   1HB   ASN  13          HB2       ASN  13 -13.882  17.916  -1.948
  106   2HB   ASN  13          HB3       ASN  13 -15.394  17.192  -1.457
  107   1HD2  ASN  13          HD22      ASN  13 -12.907  16.375  -0.486
  108   2HD2  ASN  13          HD21      ASN  13 -12.531  14.765  -1.066
  109    H    SER  14           H        SER  14 -17.437  17.267  -2.574
  110    HA   SER  14           HA       SER  14 -18.204  14.754  -2.566
  111   1HB   SER  14          HB2       SER  14 -19.968  17.175  -3.123
  112   2HB   SER  14          HB3       SER  14 -20.447  15.683  -2.279
  113    HG   SER  14           HG       SER  14 -18.963  16.110  -0.702
  114    H    CYS  15           H        CYS  15 -18.349  16.700  -5.570
  115    HA   CYS  15           HA       CYS  15 -19.731  14.398  -6.874
  116   1HB   CYS  15          HB2       CYS  15 -20.256  16.063  -8.685
  117   2HB   CYS  15          HB3       CYS  15 -21.084  16.283  -7.142
  118    HG   CYS  15           HG       CYS  15 -20.625  18.654  -7.943
  119    H    ARG  16           H        ARG  16 -17.596  16.884  -8.345
  120    HA   ARG  16           HA       ARG  16 -16.709  14.904 -10.168
  121   1HB   ARG  16          HB2       ARG  16 -15.329  17.585  -9.674
  122   2HB   ARG  16          HB3       ARG  16 -15.058  16.488 -11.011
  123   1HG   ARG  16          HG2       ARG  16 -16.471  17.935 -12.016
  124   2HG   ARG  16          HG3       ARG  16 -17.620  16.717 -11.486
  125   1HD   ARG  16          HD2       ARG  16 -18.763  18.302 -10.359
  126   2HD   ARG  16          HD3       ARG  16 -17.349  18.595  -9.334
  127    HE   ARG  16           HE       ARG  16 -17.429  19.897 -11.990
  128   1HH1  ARG  16          HH11      ARG  16 -17.891  20.360  -8.467
  129   2HH1  ARG  16          HH12      ARG  16 -17.535  22.065  -8.568
  130   1HH2  ARG  16          HH21      ARG  16 -17.106  22.060 -12.073
  131   2HH2  ARG  16          HH22      ARG  16 -17.277  23.077 -10.659
  132    H    SER  17           H        SER  17 -14.929  16.103  -7.221
  133    HA   SER  17           HA       SER  17 -12.601  14.602  -7.950
  134   1HB   SER  17          HB2       SER  17 -13.437  15.541  -5.192
  135   2HB   SER  17          HB3       SER  17 -11.815  15.049  -5.714
  136    HG   SER  17           HG       SER  17 -12.066  17.292  -5.670
  137    H    GLN  18           H        GLN  18 -15.466  13.803  -5.894
  138    HA   GLN  18           HA       GLN  18 -14.503  11.260  -5.016
  139   1HB   GLN  18          HB2       GLN  18 -17.332  12.316  -5.538
  140   2HB   GLN  18          HB3       GLN  18 -17.009  10.745  -4.822
  141   1HG   GLN  18          HG2       GLN  18 -16.166  13.409  -3.634
  142   2HG   GLN  18          HG3       GLN  18 -17.535  12.441  -3.117
  143   1HE2  GLN  18          HE22      GLN  18 -14.470  13.199  -2.234
  144   2HE2  GLN  18          HE21      GLN  18 -14.124  11.762  -1.271
  145    H    MET  19           H        MET  19 -16.438  12.144  -7.928
  146    HA   MET  19           HA       MET  19 -16.707   9.448  -8.878
  147   1HB   MET  19          HB2       MET  19 -16.844  12.137 -10.320
  148   2HB   MET  19          HB3       MET  19 -17.278  10.586 -11.058
  149   1HG   MET  19          HG2       MET  19 -19.099  10.250  -9.533
  150   2HG   MET  19          HG3       MET  19 -18.568  11.564  -8.497
  151   1HE   MET  19          HE1       MET  19 -20.712  12.137 -12.563
  152   2HE   MET  19          HE2       MET  19 -19.072  11.461 -12.480
  153   3HE   MET  19          HE3       MET  19 -20.440  10.571 -11.767
  154    H    ALA  20           H        ALA  20 -14.350  12.074  -9.698
  155    HA   ALA  20           HA       ALA  20 -12.828  10.651 -11.577
  156   1HB   ALA  20          HB1       ALA  20 -12.567  13.086 -11.117
  157   2HB   ALA  20          HB2       ALA  20 -11.858  12.703  -9.535
  158   3HB   ALA  20          HB3       ALA  20 -11.020  12.225 -11.022
  159    H    GLU  21           H        GLU  21 -12.492  10.781  -7.994
  160    HA   GLU  21           HA       GLU  21 -10.156   9.258  -7.828
  161   1HB   GLU  21          HB2       GLU  21 -10.906  10.496  -5.937
  162   2HB   GLU  21          HB3       GLU  21 -12.455   9.638  -5.865
  163   1HG   GLU  21          HG2       GLU  21 -11.383   7.584  -5.250
  164   2HG   GLU  21          HG3       GLU  21  -9.777   8.259  -5.479
  165    H    GLY  22           H        GLY  22 -13.594   8.105  -7.794
  166   1HA   GLY  22          HA1       GLY  22 -13.025   5.381  -7.422
  167   2HA   GLY  22          HA2       GLY  22 -14.460   6.030  -8.211
  168    H    TRP  23           H        TRP  23 -13.293   7.201 -10.589
  169    HA   TRP  23           HA       TRP  23 -12.779   4.808 -12.168
  170   1HB   TRP  23          HB2       TRP  23 -12.466   7.768 -12.762
  171   2HB   TRP  23          HB3       TRP  23 -12.106   6.542 -13.953
  172    HD1  TRP  23           HD1      TRP  23 -14.835   8.520 -12.426
  173    HE1  TRP  23           HE1      TRP  23 -17.016   8.185 -13.636
  174    HE3  TRP  23           HE3      TRP  23 -13.553   4.460 -15.283
  175    HZ2  TRP  23           HZ2      TRP  23 -18.099   6.437 -15.654
  176    HZ3  TRP  23           HZ3      TRP  23 -15.184   3.532 -16.906
  177    HH2  TRP  23           HH2      TRP  23 -17.462   4.538 -17.107
  178    H    ALA  24           H        ALA  24 -10.699   7.351 -10.718
  179    HA   ALA  24           HA       ALA  24  -8.415   6.711 -12.216
  180   1HB   ALA  24          HB1       ALA  24  -7.198   8.031 -10.511
  181   2HB   ALA  24          HB2       ALA  24  -8.743   8.813 -10.889
  182   3HB   ALA  24          HB3       ALA  24  -8.564   7.882  -9.392
  183    H    LYS  25           H        LYS  25  -9.580   5.417  -9.105
  184    HA   LYS  25           HA       LYS  25  -7.322   3.841  -8.459
  185   1HB   LYS  25          HB2       LYS  25 -10.290   3.420  -7.957
  186   2HB   LYS  25          HB3       LYS  25  -9.054   2.349  -7.286
  187   1HG   LYS  25          HG2       LYS  25  -8.070   4.087  -5.959
  188   2HG   LYS  25          HG3       LYS  25  -8.960   5.354  -6.806
  189   1HD   LYS  25          HD2       LYS  25 -11.106   4.430  -5.963
  190   2HD   LYS  25          HD3       LYS  25 -10.211   3.204  -5.033
  191   1HE   LYS  25          HE2       LYS  25  -9.133   4.917  -3.687
  192   2HE   LYS  25          HE3       LYS  25  -9.706   6.188  -4.771
  193   1HZ   LYS  25          HZ1       LYS  25 -11.101   6.259  -2.938
  194   2HZ   LYS  25          HZ2       LYS  25 -12.007   5.561  -4.087
  195   3HZ   LYS  25          HZ3       LYS  25 -11.351   4.617  -2.894
  196    H    GLN  26           H        GLN  26  -9.829   3.289 -10.923
  197    HA   GLN  26           HA       GLN  26  -9.050   0.526 -11.410
  198   1HB   GLN  26          HB2       GLN  26 -10.444   2.379 -13.344
  199   2HB   GLN  26          HB3       GLN  26 -10.349   0.630 -13.391
  200   1HG   GLN  26          HG2       GLN  26 -11.726   0.554 -11.273
  201   2HG   GLN  26          HG3       GLN  26 -11.933   2.318 -11.410
  202   1HE2  GLN  26          HE22      GLN  26 -12.279   2.857 -13.987
  203   2HE2  GLN  26          HE21      GLN  26 -13.668   2.022 -14.662
  204    H    TYR  27           H        TYR  27  -8.685   3.565 -13.255
  205    HA   TYR  27           HA       TYR  27  -7.046   2.373 -15.251
  206   1HB   TYR  27          HB2       TYR  27  -7.525   5.299 -14.559
  207   2HB   TYR  27          HB3       TYR  27  -6.653   4.761 -15.983
  208    HD1  TYR  27           HD1      TYR  27  -9.810   5.808 -14.890
  209    HD2  TYR  27           HD2      TYR  27  -7.924   2.893 -17.453
  210    HE1  TYR  27           HE1      TYR  27 -11.867   5.672 -16.249
  211    HE2  TYR  27           HE2      TYR  27 -10.003   2.709 -18.783
  212    HH   TYR  27           HH       TYR  27 -12.940   4.653 -18.063
  213    H    LEU  28           H        LEU  28  -6.110   4.384 -12.422
  214    HA   LEU  28           HA       LEU  28  -3.408   4.698 -13.473
  215   1HB   LEU  28          HB2       LEU  28  -4.545   5.501 -10.767
  216   2HB   LEU  28          HB3       LEU  28  -3.054   6.051 -11.498
  217    HG   LEU  28           HG       LEU  28  -5.868   6.719 -12.390
  218   1HD1  LEU  28          HD11      LEU  28  -4.871   7.979 -10.490
  219   2HD1  LEU  28          HD12      LEU  28  -3.536   8.480 -11.546
  220   3HD1  LEU  28          HD13      LEU  28  -5.200   8.994 -11.907
  221   1HD2  LEU  28          HD21      LEU  28  -4.911   8.071 -14.200
  222   2HD2  LEU  28          HD22      LEU  28  -3.293   7.406 -13.855
  223   3HD2  LEU  28          HD23      LEU  28  -4.605   6.364 -14.451
  224    H    GLY  29           H        GLY  29  -4.960   2.846 -10.886
  225   1HA   GLY  29          HA1       GLY  29  -4.333   0.774 -10.058
  226   2HA   GLY  29          HA2       GLY  29  -2.822   0.848 -10.968
  227    H    ASP  30           H        ASP  30  -2.520  -0.137  -8.595
  228    HA   ASP  30           HA       ASP  30  -2.534   1.526  -6.333
  229   1HB   ASP  30          HB2       ASP  30  -2.618  -0.964  -6.390
  230   2HB   ASP  30          HB3       ASP  30  -0.906  -0.976  -6.842
  231    H    GLU  31           H        GLU  31  -0.155   1.376  -8.835
  232    HA   GLU  31           HA       GLU  31   2.204   2.227  -7.534
  233   1HB   GLU  31          HB2       GLU  31   2.009   1.567  -9.919
  234   2HB   GLU  31          HB3       GLU  31   1.068   3.024 -10.255
  235   1HG   GLU  31          HG2       GLU  31   3.018   4.424  -9.590
  236   2HG   GLU  31          HG3       GLU  31   3.955   2.955  -9.283
  237    H    TRP  32           H        TRP  32  -0.852   3.866  -8.012
  238    HA   TRP  32           HA       TRP  32   0.375   6.452  -7.165
  239   1HB   TRP  32          HB2       TRP  32  -2.329   6.046  -8.492
  240   2HB   TRP  32          HB3       TRP  32  -1.532   7.560  -8.140
  241    HD1  TRP  32           HD1      TRP  32  -0.772   4.461 -10.353
  242    HE1  TRP  32           HE1      TRP  32  -0.348   5.250 -12.735
  243    HE3  TRP  32           HE3      TRP  32  -0.885   9.505  -9.560
  244    HZ2  TRP  32           HZ2      TRP  32  -0.343   7.728 -14.177
  245    HZ3  TRP  32           HZ3      TRP  32  -0.764  11.073 -11.475
  246    HH2  TRP  32           HH2      TRP  32  -0.545  10.194 -13.806
  247    H    LYS  33           H        LYS  33  -0.361   7.256  -5.200
  248    HA   LYS  33           HA       LYS  33  -2.605   5.862  -3.825
  249   1HB   LYS  33          HB2       LYS  33  -0.225   7.052  -2.860
  250   2HB   LYS  33          HB3       LYS  33  -1.471   8.237  -2.492
  251   1HG   LYS  33          HG2       LYS  33  -1.514   5.297  -1.697
  252   2HG   LYS  33          HG3       LYS  33  -1.051   6.631  -0.646
  253   1HD   LYS  33          HD2       LYS  33  -3.828   6.210  -1.840
  254   2HD   LYS  33          HD3       LYS  33  -3.333   5.831  -0.193
  255   1HE   LYS  33          HE2       LYS  33  -2.838   8.191   0.268
  256   2HE   LYS  33          HE3       LYS  33  -3.231   8.641  -1.391
  257   1HZ   LYS  33          HZ1       LYS  33  -5.191   7.427   0.476
  258   2HZ   LYS  33          HZ2       LYS  33  -5.058   9.031   0.168
  259   3HZ   LYS  33          HZ3       LYS  33  -5.503   8.033  -1.031
  260    H    VAL  34           H        VAL  34  -4.640   6.854  -3.865
  261    HA   VAL  34           HA       VAL  34  -4.825   9.374  -5.441
  262    HB   VAL  34           HB       VAL  34  -6.911   7.182  -5.080
  263   1HG1  VAL  34          HG11      VAL  34  -6.640   9.416  -7.131
  264   2HG1  VAL  34          HG12      VAL  34  -7.936   8.197  -7.078
  265   3HG1  VAL  34          HG13      VAL  34  -7.796   9.398  -5.788
  266   1HG2  VAL  34          HG21      VAL  34  -5.025   6.144  -6.274
  267   2HG2  VAL  34          HG22      VAL  34  -6.346   6.436  -7.397
  268   3HG2  VAL  34          HG23      VAL  34  -4.940   7.521  -7.391
  269    H    TYR  35           H        TYR  35  -6.058  11.071  -4.643
  270    HA   TYR  35           HA       TYR  35  -7.752  10.672  -2.253
  271   1HB   TYR  35          HB2       TYR  35  -5.847  13.009  -2.604
  272   2HB   TYR  35          HB3       TYR  35  -6.990  12.811  -1.296
  273    HD1  TYR  35           HD1      TYR  35  -3.722  12.059  -2.620
  274    HD2  TYR  35           HD2      TYR  35  -6.483  11.272   0.598
  275    HE1  TYR  35           HE1      TYR  35  -1.849  11.565  -1.157
  276    HE2  TYR  35           HE2      TYR  35  -4.582  10.674   2.084
  277    HH   TYR  35           HH       TYR  35  -1.157  10.857   1.002
  278    H    SER  36           H        SER  36  -9.244  12.539  -2.037
  279    HA   SER  36           HA       SER  36  -9.578  14.273  -4.403
  280   1HB   SER  36          HB2       SER  36 -12.098  13.785  -4.031
  281   2HB   SER  36          HB3       SER  36 -11.131  12.577  -4.890
  282    HG   SER  36           HG       SER  36 -11.083  11.305  -3.119
  283    H    ALA  37           H        ALA  37  -9.960  16.341  -3.815
  284    HA   ALA  37           HA       ALA  37 -11.217  16.990  -1.232
  285   1HB   ALA  37          HB1       ALA  37  -9.657  18.784  -0.846
  286   2HB   ALA  37          HB2       ALA  37  -8.910  17.205  -0.689
  287   3HB   ALA  37          HB3       ALA  37  -8.606  18.194  -2.152
  288    H    GLY  38           H        GLY  38 -11.388  19.650  -1.451
  289   1HA   GLY  38          HA1       GLY  38 -11.770  20.685  -4.060
  290   2HA   GLY  38          HA2       GLY  38 -13.326  20.253  -3.334
  291    H    ILE  39           H        ILE  39 -13.115  22.772  -3.833
  292    HA   ILE  39           HA       ILE  39 -12.023  24.583  -1.938
  293    HB   ILE  39           HB       ILE  39 -14.436  24.533  -3.758
  294   1HG1  ILE  39          HG12      ILE  39 -13.376  26.270  -4.992
  295   2HG1  ILE  39          HG13      ILE  39 -12.235  26.602  -3.714
  296   1HG2  ILE  39          HG21      ILE  39 -13.861  26.849  -1.890
  297   2HG2  ILE  39          HG22      ILE  39 -14.951  26.897  -3.295
  298   3HG2  ILE  39          HG23      ILE  39 -15.330  25.843  -1.940
  299   1HD1  ILE  39          HD11      ILE  39 -12.251  24.168  -5.534
  300   2HD1  ILE  39          HD12      ILE  39 -11.112  25.511  -5.551
  301   3HD1  ILE  39          HD13      ILE  39 -11.091  24.410  -4.192
  302    H    GLU  40           H        GLU  40 -15.017  22.656  -1.925
  303    HA   GLU  40           HA       GLU  40 -14.976  22.622   0.994
  304   1HB   GLU  40          HB2       GLU  40 -17.312  23.205   1.249
  305   2HB   GLU  40          HB3       GLU  40 -16.433  24.531   0.503
  306   1HG   GLU  40          HG2       GLU  40 -17.320  23.864  -1.735
  307   2HG   GLU  40          HG3       GLU  40 -18.208  22.536  -0.986
  308    H    ALA  41           H        ALA  41 -16.962  21.060   1.627
  309    HA   ALA  41           HA       ALA  41 -17.515  18.951  -0.360
  310   1HB   ALA  41          HB1       ALA  41 -16.926  17.217   1.331
  311   2HB   ALA  41          HB2       ALA  41 -15.498  18.128   0.781
  312   3HB   ALA  41          HB3       ALA  41 -16.220  18.467   2.369
  313    H    HIS  42           H        HIS  42 -19.675  18.567  -0.204
  314    HA   HIS  42           HA       HIS  42 -21.248  19.686   2.024
  315   1HB   HIS  42          HB2       HIS  42 -21.921  19.761  -0.415
  316   2HB   HIS  42          HB3       HIS  42 -22.138  18.014  -0.367
  317    HD1  HIS  42           HD1      HIS  42 -23.657  18.282   2.674
  318    HD2  HIS  42           HD2      HIS  42 -24.503  20.135  -1.013
  319    HE1  HIS  42           HE1      HIS  42 -26.118  18.949   2.753
  320    H    GLY  43           H        GLY  43 -20.137  16.560   0.776
  321   1HA   GLY  43          HA1       GLY  43 -20.050  14.949   2.991
  322   2HA   GLY  43          HA2       GLY  43 -21.749  14.885   2.459
  323    H    LEU  44           H        LEU  44 -21.238  12.570   1.872
  324    HA   LEU  44           HA       LEU  44 -19.693  12.270  -0.647
  325   1HB   LEU  44          HB2       LEU  44 -19.525  10.490   1.088
  326   2HB   LEU  44          HB3       LEU  44 -21.273  10.237   0.984
  327    HG   LEU  44           HG       LEU  44 -21.010   9.643  -1.434
  328   1HD1  LEU  44          HD11      LEU  44 -18.028   9.774  -0.831
  329   2HD1  LEU  44          HD12      LEU  44 -18.745   9.015  -2.266
  330   3HD1  LEU  44          HD13      LEU  44 -18.913  10.749  -2.025
  331   1HD2  LEU  44          HD21      LEU  44 -19.892   7.429  -0.969
  332   2HD2  LEU  44          HD22      LEU  44 -19.454   8.039   0.631
  333   3HD2  LEU  44          HD23      LEU  44 -21.164   7.865   0.191
  334    H    ASN  45           H        ASN  45 -20.822  13.051  -2.419
  335    HA   ASN  45           HA       ASN  45 -23.582  13.722  -2.260
  336   1HB   ASN  45          HB2       ASN  45 -21.964  14.889  -3.733
  337   2HB   ASN  45          HB3       ASN  45 -21.801  13.417  -4.703
  338   1HD2  ASN  45          HD22      ASN  45 -23.790  16.249  -4.135
  339   2HD2  ASN  45          HD21      ASN  45 -24.971  15.862  -5.360
  340    HA   PRO  46           HA       PRO  46 -25.159   9.648  -3.059
  341   1HB   PRO  46          HB2       PRO  46 -27.797  10.150  -3.686
  342   2HB   PRO  46          HB3       PRO  46 -27.116  10.245  -2.034
  343   1HG   PRO  46          HG2       PRO  46 -27.565  12.508  -3.998
  344   2HG   PRO  46          HG3       PRO  46 -28.002  12.445  -2.259
  345   1HD   PRO  46          HD2       PRO  46 -25.741  13.678  -3.110
  346   2HD   PRO  46          HD3       PRO  46 -25.747  12.728  -1.593
  347    H    ASN  47           H        ASN  47 -25.565  12.148  -5.629
  348    HA   ASN  47           HA       ASN  47 -26.111  10.151  -7.682
  349   1HB   ASN  47          HB2       ASN  47 -26.739  12.475  -8.174
  350   2HB   ASN  47          HB3       ASN  47 -25.054  12.994  -7.980
  351   1HD2  ASN  47          HD22      ASN  47 -24.231  13.439 -10.008
  352   2HD2  ASN  47          HD21      ASN  47 -24.468  12.398 -11.393
  353    H    ALA  48           H        ALA  48 -23.138  11.673  -6.270
  354    HA   ALA  48           HA       ALA  48 -21.364  10.617  -8.229
  355   1HB   ALA  48          HB1       ALA  48 -19.609  10.954  -6.550
  356   2HB   ALA  48          HB2       ALA  48 -20.699  12.351  -6.592
  357   3HB   ALA  48          HB3       ALA  48 -20.813  11.163  -5.274
  358    H    VAL  49           H        VAL  49 -22.701   9.234  -5.172
  359    HA   VAL  49           HA       VAL  49 -21.309   6.748  -5.395
  360    HB   VAL  49           HB       VAL  49 -23.980   7.281  -4.046
  361   1HG1  VAL  49          HG11      VAL  49 -21.948   5.009  -3.762
  362   2HG1  VAL  49          HG12      VAL  49 -23.366   5.261  -2.710
  363   3HG1  VAL  49          HG13      VAL  49 -23.592   4.867  -4.416
  364   1HG2  VAL  49          HG21      VAL  49 -22.607   7.428  -1.979
  365   2HG2  VAL  49          HG22      VAL  49 -21.129   7.327  -2.966
  366   3HG2  VAL  49          HG23      VAL  49 -22.217   8.715  -3.117
  367    H    LYS  50           H        LYS  50 -24.696   7.605  -6.387
  368    HA   LYS  50           HA       LYS  50 -25.130   5.019  -7.407
  369   1HB   LYS  50          HB2       LYS  50 -26.883   6.744  -6.786
  370   2HB   LYS  50          HB3       LYS  50 -26.561   7.552  -8.330
  371   1HG   LYS  50          HG2       LYS  50 -27.142   5.396  -9.518
  372   2HG   LYS  50          HG3       LYS  50 -27.507   4.666  -7.944
  373   1HD   LYS  50          HD2       LYS  50 -29.271   6.402  -7.590
  374   2HD   LYS  50          HD3       LYS  50 -28.902   7.066  -9.198
  375   1HE   LYS  50          HE2       LYS  50 -29.486   4.879 -10.230
  376   2HE   LYS  50          HE3       LYS  50 -29.837   4.214  -8.631
  377   1HZ   LYS  50          HZ1       LYS  50 -31.317   6.443  -9.910
  378   2HZ   LYS  50          HZ2       LYS  50 -31.850   4.913  -9.746
  379   3HZ   LYS  50          HZ3       LYS  50 -31.632   5.835  -8.423
  380    H    ALA  51           H        ALA  51 -24.170   7.988  -9.254
  381    HA   ALA  51           HA       ALA  51 -24.265   6.858 -11.812
  382   1HB   ALA  51          HB1       ALA  51 -22.294   8.942 -10.750
  383   2HB   ALA  51          HB2       ALA  51 -22.706   8.652 -12.457
  384   3HB   ALA  51          HB3       ALA  51 -23.937   9.281 -11.346
  385    H    MET  52           H        MET  52 -21.504   6.843  -9.425
  386    HA   MET  52           HA       MET  52 -19.739   5.434 -11.204
  387   1HB   MET  52          HB2       MET  52 -19.849   5.847  -8.192
  388   2HB   MET  52          HB3       MET  52 -18.499   5.103  -9.038
  389   1HG   MET  52          HG2       MET  52 -19.527   7.933  -9.493
  390   2HG   MET  52          HG3       MET  52 -18.093   7.499  -8.575
  391   1HE   MET  52          HE1       MET  52 -16.807   5.240 -10.308
  392   2HE   MET  52          HE2       MET  52 -15.676   6.148 -11.296
  393   3HE   MET  52          HE3       MET  52 -15.913   6.600  -9.595
  394    H    LYS  53           H        LYS  53 -21.990   4.430  -8.590
  395    HA   LYS  53           HA       LYS  53 -21.239   1.712  -8.593
  396   1HB   LYS  53          HB2       LYS  53 -22.375   3.053  -6.818
  397   2HB   LYS  53          HB3       LYS  53 -23.892   2.932  -7.725
  398   1HG   LYS  53          HG2       LYS  53 -23.963   0.531  -7.366
  399   2HG   LYS  53          HG3       LYS  53 -22.279   0.520  -6.784
  400   1HD   LYS  53          HD2       LYS  53 -22.942   2.019  -4.901
  401   2HD   LYS  53          HD3       LYS  53 -24.634   1.903  -5.409
  402   1HE   LYS  53          HE2       LYS  53 -24.778  -0.385  -4.796
  403   2HE   LYS  53          HE3       LYS  53 -23.028  -0.622  -4.924
  404   1HZ   LYS  53          HZ1       LYS  53 -24.334   0.938  -2.780
  405   2HZ   LYS  53          HZ2       LYS  53 -23.713  -0.565  -2.623
  406   3HZ   LYS  53          HZ3       LYS  53 -22.711   0.691  -2.961
  407    H    GLU  54           H        GLU  54 -23.577   3.458 -10.599
  408    HA   GLU  54           HA       GLU  54 -24.757   1.169 -11.808
  409   1HB   GLU  54          HB2       GLU  54 -24.502   4.099 -12.573
  410   2HB   GLU  54          HB3       GLU  54 -25.239   2.954 -13.686
  411   1HG   GLU  54          HG2       GLU  54 -26.149   3.292 -10.808
  412   2HG   GLU  54          HG3       GLU  54 -26.812   4.211 -12.154
  413    H    VAL  55           H        VAL  55 -21.554   2.524 -12.189
  414    HA   VAL  55           HA       VAL  55 -21.060   0.945 -14.653
  415    HB   VAL  55           HB       VAL  55 -19.140   2.631 -12.984
  416   1HG1  VAL  55          HG11      VAL  55 -17.900   1.066 -14.399
  417   2HG1  VAL  55          HG12      VAL  55 -18.866   1.542 -15.816
  418   3HG1  VAL  55          HG13      VAL  55 -17.757   2.693 -15.034
  419   1HG2  VAL  55          HG21      VAL  55 -20.694   3.352 -15.505
  420   2HG2  VAL  55          HG22      VAL  55 -20.901   4.082 -13.899
  421   3HG2  VAL  55          HG23      VAL  55 -19.395   4.328 -14.775
  422    H    GLY  56           H        GLY  56 -21.215   0.442 -11.280
  423   1HA   GLY  56          HA1       GLY  56 -20.808  -1.599 -10.206
  424   2HA   GLY  56          HA2       GLY  56 -19.551  -2.011 -11.381
  425    H    ILE  57           H        ILE  57 -19.274   1.285 -10.365
  426    HA   ILE  57           HA       ILE  57 -16.944   0.556  -8.678
  427    HB   ILE  57           HB       ILE  57 -17.602   3.195 -10.019
  428   1HG1  ILE  57          HG12      ILE  57 -15.741   0.961 -10.936
  429   2HG1  ILE  57          HG13      ILE  57 -17.203   1.524 -11.750
  430   1HG2  ILE  57          HG21      ILE  57 -15.262   3.766  -9.405
  431   2HG2  ILE  57          HG22      ILE  57 -16.125   3.268  -7.957
  432   3HG2  ILE  57          HG23      ILE  57 -15.013   2.139  -8.749
  433   1HD1  ILE  57          HD11      ILE  57 -15.420   2.480 -12.942
  434   2HD1  ILE  57          HD12      ILE  57 -16.096   3.799 -11.987
  435   3HD1  ILE  57          HD13      ILE  57 -14.574   3.010 -11.476
  436    H    ASP  58           H        ASP  58 -18.022   0.094  -6.826
  437    HA   ASP  58           HA       ASP  58 -20.156   1.739  -5.732
  438   1HB   ASP  58          HB2       ASP  58 -20.168  -0.657  -5.415
  439   2HB   ASP  58          HB3       ASP  58 -18.591  -0.608  -4.616
  440    H    ILE  59           H        ILE  59 -18.937   3.811  -5.762
  441    HA   ILE  59           HA       ILE  59 -16.735   4.147  -3.957
  442    HB   ILE  59           HB       ILE  59 -16.768   6.446  -4.436
  443   1HG1  ILE  59          HG12      ILE  59 -19.328   6.347  -6.017
  444   2HG1  ILE  59          HG13      ILE  59 -19.362   6.671  -4.285
  445   1HG2  ILE  59          HG21      ILE  59 -15.949   4.966  -6.228
  446   2HG2  ILE  59          HG22      ILE  59 -17.553   5.047  -7.003
  447   3HG2  ILE  59          HG23      ILE  59 -16.568   6.507  -6.844
  448   1HD1  ILE  59          HD11      ILE  59 -19.353   8.788  -5.356
  449   2HD1  ILE  59          HD12      ILE  59 -17.769   8.564  -4.611
  450   3HD1  ILE  59          HD13      ILE  59 -17.953   8.364  -6.370
  451    H    SER  60           H        SER  60 -19.724   3.319  -2.911
  452    HA   SER  60           HA       SER  60 -20.489   5.381  -1.161
  453   1HB   SER  60          HB2       SER  60 -21.733   3.651   0.057
  454   2HB   SER  60          HB3       SER  60 -21.969   3.543  -1.693
  455    HG   SER  60           HG       SER  60 -20.865   1.727  -1.793
  456    H    ASN  61           H        ASN  61 -17.872   3.066  -0.888
  457    HA   ASN  61           HA       ASN  61 -17.402   3.328   1.927
  458   1HB   ASN  61          HB2       ASN  61 -16.660   1.392   0.553
  459   2HB   ASN  61          HB3       ASN  61 -15.554   2.449  -0.331
  460   1HD2  ASN  61          HD22      ASN  61 -13.443   2.231   0.403
  461   2HD2  ASN  61          HD21      ASN  61 -12.992   1.900   2.053
  462    H    GLN  62           H        GLN  62 -16.713   5.503  -0.729
  463    HA   GLN  62           HA       GLN  62 -14.299   6.641   0.362
  464   1HB   GLN  62          HB2       GLN  62 -16.206   7.742  -1.742
  465   2HB   GLN  62          HB3       GLN  62 -14.603   8.377  -1.327
  466   1HG   GLN  62          HG2       GLN  62 -13.592   6.198  -1.978
  467   2HG   GLN  62          HG3       GLN  62 -15.175   5.657  -2.543
  468   1HE2  GLN  62          HE22      GLN  62 -15.158   8.931  -3.422
  469   2HE2  GLN  62          HE21      GLN  62 -14.567   8.685  -5.061
  470    H    THR  63           H        THR  63 -14.350   9.094   0.807
  471    HA   THR  63           HA       THR  63 -16.771  10.180   1.953
  472    HB   THR  63           HB       THR  63 -15.350  10.924   4.003
  473    HG1  THR  63           HG1      THR  63 -13.690   9.588   4.583
  474   1HG2  THR  63          HG21      THR  63 -16.032   9.042   5.345
  475   2HG2  THR  63          HG22      THR  63 -17.278   9.330   4.119
  476   3HG2  THR  63          HG23      THR  63 -16.135   7.982   3.923
  477    H    SER  64           H        SER  64 -16.455  12.546   2.364
  478    HA   SER  64           HA       SER  64 -14.540  13.665   0.387
  479   1HB   SER  64          HB2       SER  64 -17.182  14.772   1.387
  480   2HB   SER  64          HB3       SER  64 -16.191  15.405   0.060
  481    HG   SER  64           HG       SER  64 -18.108  13.912  -0.316
  482    H    ASP  65           H        ASP  65 -13.641  15.715   0.857
  483    HA   ASP  65           HA       ASP  65 -13.557  16.806   3.572
  484   1HB   ASP  65          HB2       ASP  65 -11.862  14.876   3.456
  485   2HB   ASP  65          HB3       ASP  65 -11.041  15.792   2.179
  486    H    ILE  66           H        ILE  66 -12.230  18.873   3.515
  487    HA   ILE  66           HA       ILE  66 -12.368  20.135   0.837
  488    HB   ILE  66           HB       ILE  66 -12.565  22.179   1.903
  489   1HG1  ILE  66          HG12      ILE  66 -11.725  20.866   4.516
  490   2HG1  ILE  66          HG13      ILE  66 -10.827  22.078   3.580
  491   1HG2  ILE  66          HG21      ILE  66 -14.526  20.512   2.086
  492   2HG2  ILE  66          HG22      ILE  66 -14.142  20.393   3.803
  493   3HG2  ILE  66          HG23      ILE  66 -14.614  21.955   3.117
  494   1HD1  ILE  66          HD11      ILE  66 -11.841  23.234   5.403
  495   2HD1  ILE  66          HD12      ILE  66 -12.785  23.658   3.948
  496   3HD1  ILE  66          HD13      ILE  66 -13.412  22.465   5.111
  497    H    ILE  67           H        ILE  67 -10.477  21.616   0.346
  498    HA   ILE  67           HA       ILE  67  -8.282  19.954   0.141
  499    HB   ILE  67           HB       ILE  67  -8.890  21.648  -1.437
  500   1HG1  ILE  67          HG12      ILE  67  -6.611  20.557  -1.338
  501   2HG1  ILE  67          HG13      ILE  67  -6.805  21.988  -2.335
  502   1HG2  ILE  67          HG21      ILE  67  -9.444  23.563  -0.089
  503   2HG2  ILE  67          HG22      ILE  67  -7.734  23.770   0.385
  504   3HG2  ILE  67          HG23      ILE  67  -8.224  23.972  -1.305
  505   1HD1  ILE  67          HD11      ILE  67  -5.674  23.390  -0.716
  506   2HD1  ILE  67          HD12      ILE  67  -5.508  22.039   0.402
  507   3HD1  ILE  67          HD13      ILE  67  -4.665  21.997  -1.150
  508    H    ASP  68           H        ASP  68  -6.836  19.227   1.373
  509    HA   ASP  68           HA       ASP  68  -5.718  20.797   3.648
  510   1HB   ASP  68          HB2       ASP  68  -6.468  18.494   4.159
  511   2HB   ASP  68          HB3       ASP  68  -5.416  17.861   2.883
  512    H    SER  69           H        SER  69  -4.057  22.060   2.915
  513    HA   SER  69           HA       SER  69  -2.808  21.690   0.443
  514   1HB   SER  69          HB2       SER  69  -1.573  23.342   2.639
  515   2HB   SER  69          HB3       SER  69  -1.721  23.702   0.905
  516    HG   SER  69           HG       SER  69  -3.163  24.915   2.258
  517    H    ASP  70           H        ASP  70  -2.076  20.074   3.460
  518    HA   ASP  70           HA       ASP  70   0.752  19.813   3.064
  519   1HB   ASP  70          HB2       ASP  70  -0.285  19.482   5.258
  520   2HB   ASP  70          HB3       ASP  70  -1.190  18.093   4.639
  521    H    ILE  71           H        ILE  71  -2.057  17.851   2.101
  522    HA   ILE  71           HA       ILE  71  -0.520  15.683   0.925
  523    HB   ILE  71           HB       ILE  71  -3.363  16.649   0.427
  524   1HG1  ILE  71          HG12      ILE  71  -2.283  14.196   1.889
  525   2HG1  ILE  71          HG13      ILE  71  -2.871  15.664   2.681
  526   1HG2  ILE  71          HG21      ILE  71  -3.719  14.558  -0.852
  527   2HG2  ILE  71          HG22      ILE  71  -2.473  15.503  -1.619
  528   3HG2  ILE  71          HG23      ILE  71  -2.010  14.113  -0.623
  529   1HD1  ILE  71          HD11      ILE  71  -4.611  13.997   2.752
  530   2HD1  ILE  71          HD12      ILE  71  -5.120  15.294   1.647
  531   3HD1  ILE  71          HD13      ILE  71  -4.524  13.746   1.005
  532    H    LEU  72           H        LEU  72  -2.006  18.722  -0.328
  533    HA   LEU  72           HA       LEU  72  -1.235  18.397  -3.007
  534   1HB   LEU  72          HB2       LEU  72  -2.832  20.030  -2.322
  535   2HB   LEU  72          HB3       LEU  72  -1.694  20.857  -1.283
  536    HG   LEU  72           HG       LEU  72  -0.971  20.660  -4.182
  537   1HD1  LEU  72          HD11      LEU  72  -3.245  22.370  -3.129
  538   2HD1  LEU  72          HD12      LEU  72  -2.470  22.614  -4.710
  539   3HD1  LEU  72          HD13      LEU  72  -3.356  21.115  -4.370
  540   1HD2  LEU  72          HD21      LEU  72  -0.844  22.842  -2.043
  541   2HD2  LEU  72          HD22      LEU  72   0.513  21.904  -2.684
  542   3HD2  LEU  72          HD23      LEU  72  -0.322  23.064  -3.715
  543    H    ASN  73           H        ASN  73   0.637  19.901  -0.324
  544    HA   ASN  73           HA       ASN  73   2.821  20.620  -1.986
  545   1HB   ASN  73          HB2       ASN  73   2.381  20.418   0.996
  546   2HB   ASN  73          HB3       ASN  73   4.026  20.566   0.409
  547   1HD2  ASN  73          HD22      ASN  73   0.870  22.217   0.446
  548   2HD2  ASN  73          HD21      ASN  73   1.507  23.785  -0.028
  549    H    ASN  74           H        ASN  74   1.950  17.426  -1.247
  550    HA   ASN  74           HA       ASN  74   4.696  16.589  -1.969
  551   1HB   ASN  74          HB2       ASN  74   4.929  14.965  -0.392
  552   2HB   ASN  74          HB3       ASN  74   4.248  16.294   0.549
  553   1HD2  ASN  74          HD22      ASN  74   1.851  16.115   1.120
  554   2HD2  ASN  74          HD21      ASN  74   1.248  14.487   1.330
  555    H    ALA  75           H        ALA  75   1.595  16.650  -3.028
  556    HA   ALA  75           HA       ALA  75   1.310  14.003  -4.052
  557   1HB   ALA  75          HB1       ALA  75   0.185  16.646  -5.059
  558   2HB   ALA  75          HB2       ALA  75  -0.358  15.025  -5.543
  559   3HB   ALA  75          HB3       ALA  75  -0.588  15.569  -3.872
  560    H    ASP  76           H        ASP  76   1.858  13.262  -6.268
  561    HA   ASP  76           HA       ASP  76   4.201  14.600  -7.479
  562   1HB   ASP  76          HB2       ASP  76   3.931  12.136  -7.687
  563   2HB   ASP  76          HB3       ASP  76   2.423  12.380  -8.586
  564    H    LEU  77           H        LEU  77   0.697  14.378  -7.850
  565    HA   LEU  77           HA       LEU  77   0.672  16.547  -9.855
  566   1HB   LEU  77          HB2       LEU  77   0.710  14.532 -11.130
  567   2HB   LEU  77          HB3       LEU  77  -0.460  13.747 -10.064
  568    HG   LEU  77           HG       LEU  77  -2.213  15.320 -10.840
  569   1HD1  LEU  77          HD11      LEU  77  -0.327  16.103 -13.089
  570   2HD1  LEU  77          HD12      LEU  77  -1.967  16.686 -12.774
  571   3HD1  LEU  77          HD13      LEU  77  -0.661  17.154 -11.693
  572   1HD2  LEU  77          HD21      LEU  77  -0.839  13.666 -13.001
  573   2HD2  LEU  77          HD22      LEU  77  -2.014  13.088 -11.806
  574   3HD2  LEU  77          HD23      LEU  77  -2.520  14.229 -13.054
  575    H    VAL  78           H        VAL  78  -1.049  17.804  -9.746
  576    HA   VAL  78           HA       VAL  78  -3.325  17.132  -7.933
  577    HB   VAL  78           HB       VAL  78  -2.141  19.865  -8.604
  578   1HG1  VAL  78          HG11      VAL  78  -3.747  20.738  -6.923
  579   2HG1  VAL  78          HG12      VAL  78  -4.581  19.998  -8.287
  580   3HG1  VAL  78          HG13      VAL  78  -4.450  19.106  -6.752
  581   1HG2  VAL  78          HG21      VAL  78  -2.146  18.408  -5.924
  582   2HG2  VAL  78          HG22      VAL  78  -0.733  18.609  -6.981
  583   3HG2  VAL  78          HG23      VAL  78  -1.477  20.031  -6.283
  584    H    VAL  79           H        VAL  79  -5.289  17.105  -9.071
  585    HA   VAL  79           HA       VAL  79  -5.178  18.082 -11.904
  586    HB   VAL  79           HB       VAL  79  -6.873  15.783 -10.896
  587   1HG1  VAL  79          HG11      VAL  79  -6.307  16.850 -13.692
  588   2HG1  VAL  79          HG12      VAL  79  -7.328  15.445 -13.287
  589   3HG1  VAL  79          HG13      VAL  79  -7.817  17.069 -12.786
  590   1HG2  VAL  79          HG21      VAL  79  -4.279  15.769 -12.484
  591   2HG2  VAL  79          HG22      VAL  79  -4.580  15.004 -10.908
  592   3HG2  VAL  79          HG23      VAL  79  -5.377  14.382 -12.358
  593    H    THR  80           H        THR  80  -6.217  19.881 -12.057
  594    HA   THR  80           HA       THR  80  -8.272  20.615 -10.056
  595    HB   THR  80           HB       THR  80  -7.945  22.891 -10.942
  596    HG1  THR  80           HG1      THR  80  -5.855  21.688 -12.483
  597   1HG2  THR  80          HG21      THR  80  -5.287  21.597 -10.163
  598   2HG2  THR  80          HG22      THR  80  -5.802  23.271  -9.880
  599   3HG2  THR  80          HG23      THR  80  -6.597  21.937  -9.020
  600    H    LEU  81           H        LEU  81 -10.029  19.518 -10.638
  601    HA   LEU  81           HA       LEU  81 -10.598  18.772 -13.341
  602   1HB   LEU  81          HB2       LEU  81 -12.304  18.664 -10.834
  603   2HB   LEU  81          HB3       LEU  81 -12.734  17.883 -12.346
  604    HG   LEU  81           HG       LEU  81 -10.207  17.208 -10.771
  605   1HD1  LEU  81          HD11      LEU  81 -12.872  15.740 -10.828
  606   2HD1  LEU  81          HD12      LEU  81 -11.393  15.191 -10.030
  607   3HD1  LEU  81          HD13      LEU  81 -12.208  16.651  -9.447
  608   1HD2  LEU  81          HD21      LEU  81 -10.065  16.593 -13.159
  609   2HD2  LEU  81          HD22      LEU  81 -10.218  15.145 -12.160
  610   3HD2  LEU  81          HD23      LEU  81 -11.619  15.758 -13.058
  611    H    CYS  82           H        CYS  82 -11.179  21.872 -11.898
  612    HA   CYS  82           HA       CYS  82 -12.914  22.460 -14.138
  613   1HB   CYS  82          HB2       CYS  82 -14.729  23.455 -12.797
  614   2HB   CYS  82          HB3       CYS  82 -14.589  21.708 -12.558
  615    HG   CYS  82           HG       CYS  82 -15.222  23.100 -10.321
  616    H    GLY  83           H        GLY  83 -13.334  24.799 -14.327
  617   1HA   GLY  83          HA1       GLY  83 -10.912  26.082 -14.598
  618   2HA   GLY  83          HA2       GLY  83 -12.485  26.862 -14.682
  619    H    ASP  84           H        ASP  84 -13.506  26.957 -12.256
  620    HA   ASP  84           HA       ASP  84 -12.034  29.113 -11.147
  621   1HB   ASP  84          HB2       ASP  84 -14.483  28.957 -11.101
  622   2HB   ASP  84          HB3       ASP  84 -14.393  27.574 -10.010
  623    H    ALA  85           H        ALA  85 -12.177  25.682 -10.207
  624    HA   ALA  85           HA       ALA  85 -11.400  26.003  -7.534
  625   1HB   ALA  85          HB1       ALA  85 -12.266  23.875  -8.360
  626   2HB   ALA  85          HB2       ALA  85 -10.849  23.658  -9.416
  627   3HB   ALA  85          HB3       ALA  85 -10.663  23.608  -7.650
  628    H    ALA  86           H        ALA  86  -9.416  25.839 -10.453
  629    HA   ALA  86           HA       ALA  86  -6.921  25.263  -9.309
  630   1HB   ALA  86          HB1       ALA  86  -7.444  25.193 -11.713
  631   2HB   ALA  86          HB2       ALA  86  -7.588  26.973 -11.730
  632   3HB   ALA  86          HB3       ALA  86  -6.018  26.209 -11.397
  633    H    ASP  87           H        ASP  87  -8.698  28.307  -9.307
  634    HA   ASP  87           HA       ASP  87  -6.494  30.060  -8.765
  635   1HB   ASP  87          HB2       ASP  87  -8.719  30.823  -9.586
  636   2HB   ASP  87          HB3       ASP  87  -9.436  30.314  -8.045
  637    H    LYS  88           H        LYS  88  -8.668  28.111  -6.781
  638    HA   LYS  88           HA       LYS  88  -7.726  29.261  -4.208
  639   1HB   LYS  88          HB2       LYS  88 -10.064  28.628  -4.293
  640   2HB   LYS  88          HB3       LYS  88  -9.669  27.071  -5.020
  641   1HG   LYS  88          HG2       LYS  88 -10.346  26.732  -2.766
  642   2HG   LYS  88          HG3       LYS  88  -8.662  26.300  -2.923
  643   1HD   LYS  88          HD2       LYS  88  -8.032  28.484  -1.857
  644   2HD   LYS  88          HD3       LYS  88  -9.759  28.908  -1.760
  645   1HE   LYS  88          HE2       LYS  88 -10.193  26.883  -0.424
  646   2HE   LYS  88          HE3       LYS  88  -8.497  26.409  -0.540
  647   1HZ   LYS  88          HZ1       LYS  88  -8.968  27.507   1.573
  648   2HZ   LYS  88          HZ2       LYS  88  -7.923  28.420   0.721
  649   3HZ   LYS  88          HZ3       LYS  88  -9.495  28.853   0.826
  650    H    CYS  89           H        CYS  89  -7.162  26.423  -6.238
  651    HA   CYS  89           HA       CYS  89  -5.912  24.727  -4.454
  652   1HB   CYS  89          HB2       CYS  89  -5.193  25.277  -7.349
  653   2HB   CYS  89          HB3       CYS  89  -4.580  23.905  -6.406
  654    HG   CYS  89           HG       CYS  89  -7.787  24.712  -6.829
  655    HA   PRO  90           HA       PRO  90  -2.742  27.644  -3.201
  656   1HB   PRO  90          HB2       PRO  90  -1.597  26.255  -1.141
  657   2HB   PRO  90          HB3       PRO  90  -3.179  27.108  -1.094
  658   1HG   PRO  90          HG2       PRO  90  -2.690  24.153  -1.522
  659   2HG   PRO  90          HG3       PRO  90  -3.899  24.948  -0.456
  660   1HD   PRO  90          HD2       PRO  90  -4.555  24.031  -2.926
  661   2HD   PRO  90          HD3       PRO  90  -5.280  25.495  -2.222
  662    H    MET  91           H        MET  91  -0.249  27.561  -2.757
  663    HA   MET  91           HA       MET  91   0.883  27.208  -5.239
  664   1HB   MET  91          HB2       MET  91   1.736  28.692  -3.449
  665   2HB   MET  91          HB3       MET  91   2.317  27.280  -2.552
  666   1HG   MET  91          HG2       MET  91   3.816  26.716  -4.477
  667   2HG   MET  91          HG3       MET  91   3.208  28.132  -5.336
  668   1HE   MET  91          HE1       MET  91   5.517  26.705  -2.563
  669   2HE   MET  91          HE2       MET  91   6.061  28.148  -1.680
  670   3HE   MET  91          HE3       MET  91   4.384  27.590  -1.514
  671    H    THR  92           H        THR  92   1.569  25.511  -6.386
  672    HA   THR  92           HA       THR  92   2.198  22.923  -5.079
  673    HB   THR  92           HB       THR  92   1.791  22.102  -7.484
  674    HG1  THR  92           HG1      THR  92   1.859  24.172  -8.494
  675   1HG2  THR  92          HG21      THR  92  -0.595  22.074  -7.304
  676   2HG2  THR  92          HG22      THR  92   0.144  21.800  -5.726
  677   3HG2  THR  92          HG23      THR  92  -0.569  23.379  -6.100
  678    HA   PRO  93           HA       PRO  93   6.471  24.362  -6.057
  679   1HB   PRO  93          HB2       PRO  93   6.953  21.602  -4.913
  680   2HB   PRO  93          HB3       PRO  93   7.871  23.111  -4.620
  681   1HG   PRO  93          HG2       PRO  93   6.097  22.212  -2.783
  682   2HG   PRO  93          HG3       PRO  93   6.164  23.960  -3.188
  683   1HD   PRO  93          HD2       PRO  93   4.198  21.881  -4.160
  684   2HD   PRO  93          HD3       PRO  93   3.912  23.561  -3.627
  685    HA   PRO  94           HA       PRO  94   7.338  22.166  -9.890
  686   1HB   PRO  94          HB2       PRO  94  10.101  21.563  -8.816
  687   2HB   PRO  94          HB3       PRO  94   9.635  22.207 -10.422
  688   1HG   PRO  94          HG2       PRO  94  10.592  23.876  -8.516
  689   2HG   PRO  94          HG3       PRO  94   9.176  24.366  -9.501
  690   1HD   PRO  94          HD2       PRO  94   9.212  23.251  -6.691
  691   2HD   PRO  94          HD3       PRO  94   8.254  24.605  -7.361
  692    H    HIS  95           H        HIS  95   8.189  20.459  -6.885
  693    HA   HIS  95           HA       HIS  95   8.290  17.813  -7.978
  694   1HB   HIS  95          HB2       HIS  95   7.554  18.710  -5.160
  695   2HB   HIS  95          HB3       HIS  95   8.111  17.110  -5.640
  696    HD1  HIS  95           HD1      HIS  95  10.773  17.363  -6.957
  697    HD2  HIS  95           HD2      HIS  95   9.431  20.135  -4.081
  698    HE1  HIS  95           HE1      HIS  95  12.848  18.543  -6.078
  699    H    VAL  96           H        VAL  96   5.661  19.916  -7.801
  700    HA   VAL  96           HA       VAL  96   3.575  17.808  -7.617
  701    HB   VAL  96           HB       VAL  96   3.458  20.651  -6.489
  702   1HG1  VAL  96          HG11      VAL  96   1.326  19.592  -7.187
  703   2HG1  VAL  96          HG12      VAL  96   1.640  18.272  -6.039
  704   3HG1  VAL  96          HG13      VAL  96   1.419  19.936  -5.462
  705   1HG2  VAL  96          HG21      VAL  96   4.098  18.147  -4.922
  706   2HG2  VAL  96          HG22      VAL  96   5.070  19.618  -5.078
  707   3HG2  VAL  96          HG23      VAL  96   3.528  19.667  -4.224
  708    H    LYS  97           H        LYS  97   3.454  17.710  -9.917
  709    HA   LYS  97           HA       LYS  97   3.284  20.191 -11.459
  710   1HB   LYS  97          HB2       LYS  97   3.228  18.855 -13.369
  711   2HB   LYS  97          HB3       LYS  97   4.290  18.000 -12.260
  712   1HG   LYS  97          HG2       LYS  97   1.960  16.731 -11.680
  713   2HG   LYS  97          HG3       LYS  97   1.606  17.263 -13.337
  714   1HD   LYS  97          HD2       LYS  97   3.819  16.197 -14.030
  715   2HD   LYS  97          HD3       LYS  97   3.954  15.592 -12.367
  716   1HE   LYS  97          HE2       LYS  97   1.536  14.620 -12.824
  717   2HE   LYS  97          HE3       LYS  97   1.936  14.838 -14.527
  718   1HZ   LYS  97          HZ1       LYS  97   3.940  13.425 -14.043
  719   2HZ   LYS  97          HZ2       LYS  97   3.379  13.191 -12.507
  720   3HZ   LYS  97          HZ3       LYS  97   2.536  12.628 -13.794
  721    H    ARG  98           H        ARG  98   1.285  20.446 -12.898
  722    HA   ARG  98           HA       ARG  98  -1.201  19.716 -11.433
  723   1HB   ARG  98          HB2       ARG  98  -0.617  22.412 -12.724
  724   2HB   ARG  98          HB3       ARG  98  -2.207  21.847 -12.226
  725   1HG   ARG  98          HG2       ARG  98  -1.171  21.575  -9.850
  726   2HG   ARG  98          HG3       ARG  98   0.126  22.620 -10.472
  727   1HD   ARG  98          HD2       ARG  98  -1.697  24.238 -11.237
  728   2HD   ARG  98          HD3       ARG  98  -2.875  23.196 -10.396
  729    HE   ARG  98           HE       ARG  98  -0.715  24.030  -8.670
  730   1HH1  ARG  98          HH21      ARG  98  -3.604  25.383 -10.233
  731   2HH1  ARG  98          HH22      ARG  98  -3.986  26.475  -8.948
  732   1HH2  ARG  98          HH11      ARG  98  -1.308  25.347  -6.869
  733   2HH2  ARG  98          HH12      ARG  98  -2.635  26.430  -6.977
  734    H    GLU  99           H        GLU  99  -3.065  19.617 -12.759
  735    HA   GLU  99           HA       GLU  99  -2.765  19.782 -15.651
  736   1HB   GLU  99          HB2       GLU  99  -2.348  17.383 -15.053
  737   2HB   GLU  99          HB3       GLU  99  -3.914  17.325 -14.237
  738   1HG   GLU  99          HG2       GLU  99  -3.907  16.309 -16.495
  739   2HG   GLU  99          HG3       GLU  99  -5.079  17.619 -16.312
  740    H    HIS 100           H        HIS 100  -5.003  20.089 -16.599
  741    HA   HIS 100           HA       HIS 100  -6.909  21.195 -14.597
  742   1HB   HIS 100          HB2       HIS 100  -5.159  22.905 -15.196
  743   2HB   HIS 100          HB3       HIS 100  -5.671  22.789 -16.880
  744    HD1  HIS 100           HD1      HIS 100  -7.432  23.447 -13.489
  745    HD2  HIS 100           HD2      HIS 100  -7.318  24.742 -17.489
  746    HE1  HIS 100           HE1      HIS 100  -9.071  25.397 -13.655
  747    H    TRP 101           H        TRP 101  -8.989  21.113 -15.207
  748    HA   TRP 101           HA       TRP 101  -9.767  20.671 -18.029
  749   1HB   TRP 101          HB2       TRP 101 -10.782  18.951 -15.771
  750   2HB   TRP 101          HB3       TRP 101 -11.100  18.795 -17.499
  751    HD1  TRP 101           HD1      TRP 101  -8.924  17.555 -14.822
  752    HE1  TRP 101           HE1      TRP 101  -6.997  16.127 -15.680
  753    HE3  TRP 101           HE3      TRP 101  -9.199  18.741 -19.799
  754    HZ2  TRP 101           HZ2      TRP 101  -5.781  15.477 -18.220
  755    HZ3  TRP 101           HZ3      TRP 101  -7.647  17.677 -21.417
  756    HH2  TRP 101           HH2      TRP 101  -5.950  16.022 -20.637
  757    H    GLY 102           H        GLY 102 -12.500  20.441 -17.679
  758   1HA   GLY 102          HA1       GLY 102 -13.279  22.946 -16.240
  759   2HA   GLY 102          HA2       GLY 102 -13.515  22.772 -17.975
  760    H    PHE 103           H        PHE 103 -14.024  20.398 -15.279
  761    HA   PHE 103           HA       PHE 103 -16.516  19.558 -16.502
  762   1HB   PHE 103          HB2       PHE 103 -15.052  18.719 -13.980
  763   2HB   PHE 103          HB3       PHE 103 -16.604  18.058 -14.468
  764    HD1  PHE 103           HD1      PHE 103 -16.821  16.429 -16.203
  765    HD2  PHE 103           HD2      PHE 103 -13.022  18.339 -15.522
  766    HE1  PHE 103           HE1      PHE 103 -15.718  14.789 -17.669
  767    HE2  PHE 103           HE2      PHE 103 -11.927  16.753 -17.056
  768    HZ   PHE 103           HZ       PHE 103 -13.273  14.958 -18.143
  769    H    ASP 104           H        ASP 104 -18.347  20.655 -16.284
  770    HA   ASP 104           HA       ASP 104 -18.972  22.434 -14.089
  771   1HB   ASP 104          HB2       ASP 104 -19.924  22.635 -16.385
  772   2HB   ASP 104          HB3       ASP 104 -20.781  21.109 -16.144
  773    H    ASP 105           H        ASP 105 -20.952  21.992 -12.687
  774    HA   ASP 105           HA       ASP 105 -20.521  19.550 -11.195
  775   1HB   ASP 105          HB2       ASP 105 -21.172  21.652 -10.103
  776   2HB   ASP 105          HB3       ASP 105 -22.731  21.624 -10.949
  777    HA   PRO 106           HA       PRO 106 -23.558  17.296 -13.663
  778   1HB   PRO 106          HB2       PRO 106 -23.501  14.858 -12.409
  779   2HB   PRO 106          HB3       PRO 106 -22.116  15.452 -13.368
  780   1HG   PRO 106          HG2       PRO 106 -22.503  15.635 -10.351
  781   2HG   PRO 106          HG3       PRO 106 -21.067  15.034 -11.248
  782   1HD   PRO 106          HD2       PRO 106 -21.241  17.588 -10.307
  783   2HD   PRO 106          HD3       PRO 106 -20.433  17.220 -11.863
  784    H    ALA 107           H        ALA 107 -23.854  17.249 -10.079
  785    HA   ALA 107           HA       ALA 107 -26.412  16.004 -10.043
  786   1HB   ALA 107          HB1       ALA 107 -24.922  15.944  -8.115
  787   2HB   ALA 107          HB2       ALA 107 -24.988  17.715  -7.964
  788   3HB   ALA 107          HB3       ALA 107 -26.446  16.738  -7.671
  789    H    ARG 108           H        ARG 108 -25.374  19.350 -10.325
  790    HA   ARG 108           HA       ARG 108 -28.122  20.386 -10.121
  791   1HB   ARG 108          HB2       ARG 108 -25.323  21.594 -10.068
  792   2HB   ARG 108          HB3       ARG 108 -26.745  22.598 -10.314
  793   1HG   ARG 108          HG2       ARG 108 -26.296  22.671  -8.007
  794   2HG   ARG 108          HG3       ARG 108 -27.765  21.733  -8.265
  795   1HD   ARG 108          HD2       ARG 108 -26.638  20.592  -6.542
  796   2HD   ARG 108          HD3       ARG 108 -26.327  19.629  -7.972
  797    HE   ARG 108           HE       ARG 108 -24.120  20.191  -7.992
  798   1HH1  ARG 108          HH21      ARG 108 -25.721  22.026  -5.385
  799   2HH1  ARG 108          HH22      ARG 108 -24.251  22.415  -4.573
  800   1HH2  ARG 108          HH11      ARG 108 -22.218  20.683  -6.946
  801   2HH2  ARG 108          HH12      ARG 108 -22.180  21.637  -5.482
  802    H    ALA 109           H        ALA 109 -26.563  18.951 -12.623
  803    HA   ALA 109           HA       ALA 109 -26.978  20.738 -14.781
  804   1HB   ALA 109          HB1       ALA 109 -27.195  18.663 -16.134
  805   2HB   ALA 109          HB2       ALA 109 -25.829  18.522 -14.996
  806   3HB   ALA 109          HB3       ALA 109 -27.377  17.705 -14.657
  807    H    GLN 110           H        GLN 110 -28.875  21.178 -15.958
  808    HA   GLN 110           HA       GLN 110 -31.470  20.147 -14.919
  809   1HB   GLN 110          HB2       GLN 110 -30.455  23.015 -14.873
  810   2HB   GLN 110          HB3       GLN 110 -32.181  22.680 -14.965
  811   1HG   GLN 110          HG2       GLN 110 -32.255  21.634 -12.847
  812   2HG   GLN 110          HG3       GLN 110 -30.512  21.436 -12.763
  813   1HE2  GLN 110          HE22      GLN 110 -29.167  23.149 -12.152
  814   2HE2  GLN 110          HE21      GLN 110 -29.796  24.655 -11.496
  815    H    GLY 111           H        GLY 111 -33.255  20.672 -16.283
  816   1HA   GLY 111          HA1       GLY 111 -33.618  22.074 -18.510
  817   2HA   GLY 111          HA2       GLY 111 -32.672  20.715 -19.160
  818    H    THR 112           H        THR 112 -33.435  18.548 -17.840
  819    HA   THR 112           HA       THR 112 -36.148  18.341 -17.062
  820    HB   THR 112           HB       THR 112 -36.669  18.299 -19.410
  821    HG1  THR 112           HG1      THR 112 -37.755  16.434 -19.430
  822   1HG2  THR 112          HG21      THR 112 -34.630  16.069 -19.734
  823   2HG2  THR 112          HG22      THR 112 -35.813  16.568 -20.958
  824   3HG2  THR 112          HG23      THR 112 -34.553  17.696 -20.450
  825    H    GLU 113           H        GLU 113 -36.473  15.994 -16.286
  826    HA   GLU 113           HA       GLU 113 -34.278  15.412 -14.587
  827   1HB   GLU 113          HB2       GLU 113 -36.571  14.879 -13.983
  828   2HB   GLU 113          HB3       GLU 113 -36.730  13.769 -15.354
  829   1HG   GLU 113          HG2       GLU 113 -35.071  12.253 -14.394
  830   2HG   GLU 113          HG3       GLU 113 -34.732  13.391 -13.083
  831    H    GLU 114           H        GLU 114 -35.326  13.919 -17.640
  832    HA   GLU 114           HA       GLU 114 -33.352  11.850 -17.561
  833   1HB   GLU 114          HB2       GLU 114 -33.954  11.409 -19.884
  834   2HB   GLU 114          HB3       GLU 114 -35.378  11.568 -18.858
  835   1HG   GLU 114          HG2       GLU 114 -35.745  13.872 -19.702
  836   2HG   GLU 114          HG3       GLU 114 -34.308  13.734 -20.721
  837    H    GLU 115           H        GLU 115 -33.238  15.218 -18.577
  838    HA   GLU 115           HA       GLU 115 -30.794  14.891 -20.090
  839   1HB   GLU 115          HB2       GLU 115 -32.326  16.568 -20.793
  840   2HB   GLU 115          HB3       GLU 115 -32.330  17.348 -19.203
  841   1HG   GLU 115          HG2       GLU 115 -30.202  18.247 -19.473
  842   2HG   GLU 115          HG3       GLU 115 -29.723  17.048 -20.684
  843    H    LYS 116           H        LYS 116 -31.753  16.100 -16.844
  844    HA   LYS 116           HA       LYS 116 -29.187  16.633 -15.807
  845   1HB   LYS 116          HB2       LYS 116 -31.145  17.314 -14.605
  846   2HB   LYS 116          HB3       LYS 116 -31.791  15.675 -14.574
  847   1HG   LYS 116          HG2       LYS 116 -30.060  14.924 -13.087
  848   2HG   LYS 116          HG3       LYS 116 -29.245  16.496 -13.119
  849   1HD   LYS 116          HD2       LYS 116 -32.132  16.302 -12.226
  850   2HD   LYS 116          HD3       LYS 116 -30.839  15.743 -11.144
  851   1HE   LYS 116          HE2       LYS 116 -29.741  18.023 -11.460
  852   2HE   LYS 116          HE3       LYS 116 -31.233  18.535 -12.251
  853   1HZ   LYS 116          HZ1       LYS 116 -31.276  19.103  -9.920
  854   2HZ   LYS 116          HZ2       LYS 116 -32.418  17.967 -10.174
  855   3HZ   LYS 116          HZ3       LYS 116 -30.995  17.569  -9.460
  856    H    TRP 117           H        TRP 117 -31.042  13.547 -15.806
  857    HA   TRP 117           HA       TRP 117 -28.974  12.018 -14.606
  858   1HB   TRP 117          HB2       TRP 117 -31.280  11.185 -14.803
  859   2HB   TRP 117          HB3       TRP 117 -31.106  11.067 -16.556
  860    HD1  TRP 117           HD1      TRP 117 -29.662   9.059 -17.516
  861    HE1  TRP 117           HE1      TRP 117 -28.644   6.930 -16.514
  862    HE3  TRP 117           HE3      TRP 117 -30.320  10.082 -12.547
  863    HZ2  TRP 117           HZ2      TRP 117 -27.803   6.004 -13.918
  864    HZ3  TRP 117           HZ3      TRP 117 -29.303   8.621 -10.830
  865    HH2  TRP 117           HH2      TRP 117 -28.019   6.587 -11.503
  866    H    ALA 118           H        ALA 118 -29.697  12.601 -18.104
  867    HA   ALA 118           HA       ALA 118 -27.632  10.999 -19.135
  868   1HB   ALA 118          HB1       ALA 118 -27.828  12.421 -21.163
  869   2HB   ALA 118          HB2       ALA 118 -29.419  11.965 -20.521
  870   3HB   ALA 118          HB3       ALA 118 -28.780  13.600 -20.245
  871    H    PHE 119           H        PHE 119 -27.522  14.383 -17.965
  872    HA   PHE 119           HA       PHE 119 -24.855  14.914 -18.733
  873   1HB   PHE 119          HB2       PHE 119 -26.760  16.485 -17.891
  874   2HB   PHE 119          HB3       PHE 119 -26.160  16.108 -16.285
  875    HD1  PHE 119           HD1      PHE 119 -23.682  16.669 -15.765
  876    HD2  PHE 119           HD2      PHE 119 -25.742  18.103 -19.270
  877    HE1  PHE 119           HE1      PHE 119 -22.037  18.520 -15.978
  878    HE2  PHE 119           HE2      PHE 119 -24.082  19.931 -19.496
  879    HZ   PHE 119           HZ       PHE 119 -22.228  20.144 -17.853
  880    H    PHE 120           H        PHE 120 -26.195  13.358 -15.752
  881    HA   PHE 120           HA       PHE 120 -23.791  13.153 -14.261
  882   1HB   PHE 120          HB2       PHE 120 -25.829  10.918 -14.488
  883   2HB   PHE 120          HB3       PHE 120 -24.703  11.219 -13.205
  884    HD1  PHE 120           HD1      PHE 120 -25.715  14.460 -13.357
  885    HD2  PHE 120           HD2      PHE 120 -27.414  10.553 -12.678
  886    HE1  PHE 120           HE1      PHE 120 -27.455  15.445 -11.910
  887    HE2  PHE 120           HE2      PHE 120 -29.108  11.551 -11.176
  888    HZ   PHE 120           HZ       PHE 120 -29.123  14.004 -10.774
  889    H    GLN 121           H        GLN 121 -25.220  10.884 -16.688
  890    HA   GLN 121           HA       GLN 121 -23.072   9.110 -16.751
  891   1HB   GLN 121          HB2       GLN 121 -24.908   9.667 -19.084
  892   2HB   GLN 121          HB3       GLN 121 -24.012   8.190 -18.746
  893   1HG   GLN 121          HG2       GLN 121 -26.387   9.283 -17.180
  894   2HG   GLN 121          HG3       GLN 121 -26.365   7.901 -18.240
  895   1HE2  GLN 121          HE22      GLN 121 -26.463   6.003 -17.092
  896   2HE2  GLN 121          HE21      GLN 121 -25.827   5.797 -15.473
  897    H    ARG 122           H        ARG 122 -23.568  12.004 -18.787
  898    HA   ARG 122           HA       ARG 122 -21.257  11.610 -20.419
  899   1HB   ARG 122          HB2       ARG 122 -22.897  14.053 -19.681
  900   2HB   ARG 122          HB3       ARG 122 -21.319  14.278 -20.416
  901   1HG   ARG 122          HG2       ARG 122 -22.875  14.334 -22.184
  902   2HG   ARG 122          HG3       ARG 122 -21.967  12.820 -22.320
  903   1HD   ARG 122          HD2       ARG 122 -23.887  11.647 -21.192
  904   2HD   ARG 122          HD3       ARG 122 -24.779  13.188 -21.216
  905    HE   ARG 122           HE       ARG 122 -24.085  12.835 -23.835
  906   1HH1  ARG 122          HH21      ARG 122 -25.752  10.789 -21.473
  907   2HH1  ARG 122          HH22      ARG 122 -26.720   9.962 -22.643
  908   1HH2  ARG 122          HH11      ARG 122 -25.378  11.748 -25.408
  909   2HH2  ARG 122          HH12      ARG 122 -26.505  10.537 -24.934
  910    H    VAL 123           H        VAL 123 -21.627  13.413 -17.315
  911    HA   VAL 123           HA       VAL 123 -18.904  14.223 -17.275
  912    HB   VAL 123           HB       VAL 123 -21.017  13.944 -15.097
  913   1HG1  VAL 123          HG11      VAL 123 -18.222  15.131 -14.794
  914   2HG1  VAL 123          HG12      VAL 123 -19.557  15.359 -13.645
  915   3HG1  VAL 123          HG13      VAL 123 -18.888  13.747 -13.905
  916   1HG2  VAL 123          HG21      VAL 123 -21.028  16.413 -15.251
  917   2HG2  VAL 123          HG22      VAL 123 -19.736  16.363 -16.464
  918   3HG2  VAL 123          HG23      VAL 123 -21.337  15.708 -16.845
  919    H    ARG 124           H        ARG 124 -20.421  11.252 -15.723
  920    HA   ARG 124           HA       ARG 124 -17.868  10.492 -14.707
  921   1HB   ARG 124          HB2       ARG 124 -18.749   8.203 -14.444
  922   2HB   ARG 124          HB3       ARG 124 -19.832   9.410 -13.769
  923   1HG   ARG 124          HG2       ARG 124 -21.363   9.169 -15.579
  924   2HG   ARG 124          HG3       ARG 124 -20.242   8.173 -16.520
  925   1HD   ARG 124          HD2       ARG 124 -20.357   6.419 -14.748
  926   2HD   ARG 124          HD3       ARG 124 -21.543   7.400 -13.897
  927    HE   ARG 124           HE       ARG 124 -23.170   6.825 -15.375
  928   1HH1  ARG 124          HH21      ARG 124 -20.070   5.919 -16.901
  929   2HH1  ARG 124          HH22      ARG 124 -20.803   4.972 -18.138
  930   1HH2  ARG 124          HH11      ARG 124 -24.112   5.474 -16.995
  931   2HH2  ARG 124          HH12      ARG 124 -23.129   4.728 -18.200
  932    H    ASP 125           H        ASP 125 -19.400   9.774 -17.854
  933    HA   ASP 125           HA       ASP 125 -17.443   7.929 -18.733
  934   1HB   ASP 125          HB2       ASP 125 -19.562   8.225 -19.906
  935   2HB   ASP 125          HB3       ASP 125 -19.131   9.883 -20.340
  936    H    GLU 126           H        GLU 126 -17.560  11.523 -19.001
  937    HA   GLU 126           HA       GLU 126 -15.093  11.621 -20.415
  938   1HB   GLU 126          HB2       GLU 126 -16.941  13.685 -19.241
  939   2HB   GLU 126          HB3       GLU 126 -15.354  14.144 -19.854
  940   1HG   GLU 126          HG2       GLU 126 -17.482  12.682 -21.454
  941   2HG   GLU 126          HG3       GLU 126 -17.125  14.406 -21.548
  942    H    ILE 127           H        ILE 127 -15.888  11.906 -16.928
  943    HA   ILE 127           HA       ILE 127 -13.260  12.762 -16.185
  944    HB   ILE 127           HB       ILE 127 -15.628  12.350 -14.796
  945   1HG1  ILE 127          HG12      ILE 127 -14.291  12.802 -12.691
  946   2HG1  ILE 127          HG13      ILE 127 -12.830  12.761 -13.688
  947   1HG2  ILE 127          HG21      ILE 127 -15.332   9.992 -14.543
  948   2HG2  ILE 127          HG22      ILE 127 -13.779  10.247 -13.703
  949   3HG2  ILE 127          HG23      ILE 127 -15.303  10.824 -12.993
  950   1HD1  ILE 127          HD11      ILE 127 -15.240  14.567 -14.201
  951   2HD1  ILE 127          HD12      ILE 127 -13.833  15.056 -13.236
  952   3HD1  ILE 127          HD13      ILE 127 -13.628  14.675 -14.957
  953    H    GLY 128           H        GLY 128 -14.741   9.510 -16.622
  954   1HA   GLY 128          HA1       GLY 128 -12.472   7.965 -15.973
  955   2HA   GLY 128          HA2       GLY 128 -13.820   7.473 -17.021
  956    H    ASN 129           H        ASN 129 -13.662   9.134 -19.158
  957    HA   ASN 129           HA       ASN 129 -11.584   8.200 -20.802
  958   1HB   ASN 129          HB2       ASN 129 -13.724   9.123 -21.610
  959   2HB   ASN 129          HB3       ASN 129 -13.282  10.704 -20.957
  960   1HD2  ASN 129          HD22      ASN 129 -13.202  11.959 -22.762
  961   2HD2  ASN 129          HD21      ASN 129 -12.112  11.636 -24.103
  962    H    ARG 130           H        ARG 130 -11.693  11.197 -18.837
  963    HA   ARG 130           HA       ARG 130  -9.230  12.191 -19.886
  964   1HB   ARG 130          HB2       ARG 130 -11.219  13.131 -18.071
  965   2HB   ARG 130          HB3       ARG 130  -9.783  12.995 -17.089
  966   1HG   ARG 130          HG2       ARG 130 -10.011  15.224 -18.049
  967   2HG   ARG 130          HG3       ARG 130  -8.550  14.418 -18.614
  968   1HD   ARG 130          HD2       ARG 130  -9.611  15.654 -20.447
  969   2HD   ARG 130          HD3       ARG 130  -9.579  13.955 -20.802
  970    HE   ARG 130           HE       ARG 130 -11.914  13.768 -20.458
  971   1HH1  ARG 130          HH21      ARG 130 -10.854  17.121 -20.067
  972   2HH1  ARG 130          HH22      ARG 130 -12.331  17.809 -20.648
  973   1HH2  ARG 130          HH11      ARG 130 -13.776  14.650 -21.438
  974   2HH2  ARG 130          HH12      ARG 130 -14.069  16.362 -21.362
  975    H    LEU 131           H        LEU 131  -9.935  10.142 -17.033
  976    HA   LEU 131           HA       LEU 131  -7.207  10.079 -16.127
  977   1HB   LEU 131          HB2       LEU 131  -9.568   8.173 -15.750
  978   2HB   LEU 131          HB3       LEU 131  -8.090   8.087 -14.797
  979    HG   LEU 131           HG       LEU 131  -9.694  10.689 -14.904
  980   1HD1  LEU 131          HD11      LEU 131 -10.871   9.995 -12.887
  981   2HD1  LEU 131          HD12      LEU 131 -11.293   8.998 -14.282
  982   3HD1  LEU 131          HD13      LEU 131 -10.177   8.367 -13.048
  983   1HD2  LEU 131          HD21      LEU 131  -7.502  10.836 -13.960
  984   2HD2  LEU 131          HD22      LEU 131  -8.721  11.007 -12.704
  985   3HD2  LEU 131          HD23      LEU 131  -7.805   9.477 -12.869
  986    H    LYS 132           H        LYS 132  -9.164   7.972 -18.251
  987    HA   LYS 132           HA       LYS 132  -7.195   6.080 -18.937
  988   1HB   LYS 132          HB2       LYS 132  -9.403   5.625 -19.526
  989   2HB   LYS 132          HB3       LYS 132  -9.689   7.206 -20.198
  990   1HG   LYS 132          HG2       LYS 132  -7.909   5.181 -21.592
  991   2HG   LYS 132          HG3       LYS 132  -9.663   5.231 -21.777
  992   1HD   LYS 132          HD2       LYS 132  -9.171   7.835 -22.329
  993   2HD   LYS 132          HD3       LYS 132  -7.601   7.158 -22.784
  994   1HE   LYS 132          HE2       LYS 132  -8.745   7.131 -24.779
  995   2HE   LYS 132          HE3       LYS 132  -8.948   5.470 -24.217
  996   1HZ   LYS 132          HZ1       LYS 132 -10.949   7.658 -23.913
  997   2HZ   LYS 132          HZ2       LYS 132 -11.016   6.470 -25.036
  998   3HZ   LYS 132          HZ3       LYS 132 -11.181   6.091 -23.462
  999    H    GLU 133           H        GLU 133  -7.853   9.271 -20.485
 1000    HA   GLU 133           HA       GLU 133  -5.756   8.995 -22.392
 1001   1HB   GLU 133          HB2       GLU 133  -7.235  11.365 -21.216
 1002   2HB   GLU 133          HB3       GLU 133  -5.692  11.645 -22.022
 1003   1HG   GLU 133          HG2       GLU 133  -6.572  10.350 -24.018
 1004   2HG   GLU 133          HG3       GLU 133  -8.164  10.379 -23.249
 1005    H    PHE 134           H        PHE 134  -5.476  10.705 -19.130
 1006    HA   PHE 134           HA       PHE 134  -2.731  10.950 -19.832
 1007   1HB   PHE 134          HB2       PHE 134  -2.269  11.967 -17.816
 1008   2HB   PHE 134          HB3       PHE 134  -3.803  12.554 -18.436
 1009    HD1  PHE 134           HD1      PHE 134  -2.379  10.086 -15.956
 1010    HD2  PHE 134           HD2      PHE 134  -5.525  12.882 -16.940
 1011    HE1  PHE 134           HE1      PHE 134  -3.269   9.899 -13.653
 1012    HE2  PHE 134           HE2      PHE 134  -6.367  12.741 -14.619
 1013    HZ   PHE 134           HZ       PHE 134  -5.283  11.206 -12.997
 1014    H    ALA 135           H        ALA 135  -4.370   8.216 -18.390
 1015    HA   ALA 135           HA       ALA 135  -1.969   6.955 -17.452
 1016   1HB   ALA 135          HB1       ALA 135  -4.232   6.258 -16.721
 1017   2HB   ALA 135          HB2       ALA 135  -4.606   5.730 -18.375
 1018   3HB   ALA 135          HB3       ALA 135  -3.337   4.909 -17.445
 1019    H    GLU 136           H        GLU 136  -3.791   6.822 -20.524
 1020    HA   GLU 136           HA       GLU 136  -2.087   4.814 -21.681
 1021   1HB   GLU 136          HB2       GLU 136  -4.302   6.573 -22.786
 1022   2HB   GLU 136          HB3       GLU 136  -3.432   5.416 -23.783
 1023   1HG   GLU 136          HG2       GLU 136  -4.941   4.627 -21.252
 1024   2HG   GLU 136          HG3       GLU 136  -5.627   4.589 -22.872
 1025    H    THR 137           H        THR 137  -2.383   8.324 -22.029
 1026    HA   THR 137           HA       THR 137  -0.486   8.376 -24.181
 1027    HB   THR 137           HB       THR 137  -1.012  10.737 -24.300
 1028    HG1  THR 137           HG1      THR 137  -2.717  10.315 -22.088
 1029   1HG2  THR 137          HG21      THR 137  -3.494   8.993 -23.917
 1030   2HG2  THR 137          HG22      THR 137  -3.435  10.553 -24.771
 1031   3HG2  THR 137          HG23      THR 137  -2.535   9.156 -25.395
 1032    H    GLY 138           H        GLY 138  -0.404   8.809 -20.710
 1033   1HA   GLY 138          HA1       GLY 138   1.284   9.382 -19.256
 1034   2HA   GLY 138          HA2       GLY 138   2.461   9.235 -20.579
 1035    H    LYS 139           H        LYS 139  -0.455  11.242 -20.361
 1036    HA   LYS 139           HA       LYS 139   0.303  13.459 -21.676
 1037   1HB   LYS 139          HB2       LYS 139  -1.963  12.831 -20.604
 1038   2HB   LYS 139          HB3       LYS 139  -1.367  13.617 -19.147
 1039   1HG   LYS 139          HG2       LYS 139  -2.642  15.263 -20.167
 1040   2HG   LYS 139          HG3       LYS 139  -0.992  15.705 -20.580
 1041   1HD   LYS 139          HD2       LYS 139  -2.396  15.993 -22.529
 1042   2HD   LYS 139          HD3       LYS 139  -1.332  14.617 -22.850
 1043   1HE   LYS 139          HE2       LYS 139  -3.152  13.040 -22.320
 1044   2HE   LYS 139          HE3       LYS 139  -4.197  14.375 -21.814
 1045   1HZ   LYS 139          HZ1       LYS 139  -3.254  13.855 -24.568
 1046   2HZ   LYS 139          HZ2       LYS 139  -4.792  13.699 -24.009
 1047   3HZ   LYS 139          HZ3       LYS 139  -4.112  15.178 -24.129
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1   2.759  -1.225  -1.488
    2   2H    MET   1           H2       MET   1   1.954  -0.310  -2.583
    3   3H    MET   1           H3       MET   1   3.512   0.046  -2.202
    4    HA   MET   1           HA       MET   1   1.191   0.208  -0.419
    5   1HB   MET   1          HB2       MET   1   3.358  -0.465   0.690
    6   2HB   MET   1          HB3       MET   1   4.019   1.114   0.276
    7   1HG   MET   1          HG2       MET   1   1.484   0.642   1.909
    8   2HG   MET   1          HG3       MET   1   3.087   0.849   2.601
    9   1HE   MET   1          HE1       MET   1   2.131   2.673   4.237
   10   2HE   MET   1          HE2       MET   1   1.232   4.108   3.699
   11   3HE   MET   1          HE3       MET   1   0.520   2.491   3.505
   12    H    GLU   2           H        GLU   2   3.874   2.497  -1.441
   13    HA   GLU   2           HA       GLU   2   1.910   4.168  -2.819
   14   1HB   GLU   2          HB2       GLU   2   1.737   4.928  -0.511
   15   2HB   GLU   2          HB3       GLU   2   3.479   5.076  -0.357
   16   1HG   GLU   2          HG2       GLU   2   1.982   6.679  -2.460
   17   2HG   GLU   2          HG3       GLU   2   1.906   7.171  -0.776
   18    H    ASN   3           H        ASN   3   3.008   5.598  -4.253
   19    HA   ASN   3           HA       ASN   3   5.896   5.494  -4.536
   20   1HB   ASN   3          HB2       ASN   3   5.551   3.445  -5.661
   21   2HB   ASN   3          HB3       ASN   3   4.080   4.003  -6.434
   22   1HD2  ASN   3          HD22      ASN   3   4.195   5.043  -8.413
   23   2HD2  ASN   3          HD21      ASN   3   5.712   5.324  -9.268
   24    H    LYS   4           H        LYS   4   2.746   6.456  -5.828
   25    HA   LYS   4           HA       LYS   4   3.765   9.212  -6.165
   26   1HB   LYS   4          HB2       LYS   4   2.051   7.653  -8.153
   27   2HB   LYS   4          HB3       LYS   4   2.099   9.413  -8.121
   28   1HG   LYS   4          HG2       LYS   4   4.504   9.438  -8.543
   29   2HG   LYS   4          HG3       LYS   4   4.560   7.676  -8.531
   30   1HD   LYS   4          HD2       LYS   4   3.054   9.392 -10.550
   31   2HD   LYS   4          HD3       LYS   4   4.590   8.540 -10.805
   32   1HE   LYS   4          HE2       LYS   4   3.326   6.391 -10.165
   33   2HE   LYS   4          HE3       LYS   4   1.841   7.335 -10.302
   34   1HZ   LYS   4          HZ1       LYS   4   2.274   7.658 -12.615
   35   2HZ   LYS   4          HZ2       LYS   4   3.801   7.067 -12.515
   36   3HZ   LYS   4          HZ3       LYS   4   2.543   6.052 -12.331
   37    H    ILE   5           H        ILE   5   1.815  10.706  -6.111
   38    HA   ILE   5           HA       ILE   5  -0.537   9.614  -4.689
   39    HB   ILE   5           HB       ILE   5   1.222  11.934  -3.825
   40   1HG1  ILE   5          HG12      ILE   5   0.303   9.547  -2.191
   41   2HG1  ILE   5          HG13      ILE   5   1.871   9.681  -2.989
   42   1HG2  ILE   5          HG21      ILE   5  -1.141  12.688  -3.712
   43   2HG2  ILE   5          HG22      ILE   5  -1.562  11.231  -2.791
   44   3HG2  ILE   5          HG23      ILE   5  -0.506  12.481  -2.096
   45   1HD1  ILE   5          HD11      ILE   5   2.192  10.258  -0.700
   46   2HD1  ILE   5          HD12      ILE   5   2.359  11.740  -1.664
   47   3HD1  ILE   5          HD13      ILE   5   0.876  11.440  -0.725
   48    H    ILE   6           H        ILE   6  -2.402  10.615  -5.484
   49    HA   ILE   6           HA       ILE   6  -2.031  12.929  -7.280
   50    HB   ILE   6           HB       ILE   6  -2.170  11.148  -8.775
   51   1HG1  ILE   6          HG12      ILE   6  -4.896  12.496  -8.579
   52   2HG1  ILE   6          HG13      ILE   6  -3.435  13.162  -9.320
   53   1HG2  ILE   6          HG21      ILE   6  -4.700  10.142  -7.436
   54   2HG2  ILE   6          HG22      ILE   6  -3.901   9.435  -8.855
   55   3HG2  ILE   6          HG23      ILE   6  -3.096   9.370  -7.304
   56   1HD1  ILE   6          HD11      ILE   6  -4.784  12.337 -11.082
   57   2HD1  ILE   6          HD12      ILE   6  -3.479  11.135 -10.896
   58   3HD1  ILE   6          HD13      ILE   6  -5.091  10.798 -10.256
   59    H    TYR   7           H        TYR   7  -3.504  14.524  -6.933
   60    HA   TYR   7           HA       TYR   7  -5.592  14.043  -4.886
   61   1HB   TYR   7          HB2       TYR   7  -3.330  14.990  -4.098
   62   2HB   TYR   7          HB3       TYR   7  -3.764  16.459  -4.946
   63    HD1  TYR   7           HD1      TYR   7  -3.912  17.960  -3.147
   64    HD2  TYR   7           HD2      TYR   7  -5.992  14.191  -2.841
   65    HE1  TYR   7           HE1      TYR   7  -4.859  18.658  -0.973
   66    HE2  TYR   7           HE2      TYR   7  -6.991  14.912  -0.712
   67    HH   TYR   7           HH       TYR   7  -7.088  16.585   0.914
   68    H    PHE   8           H        PHE   8  -7.426  14.248  -5.975
   69    HA   PHE   8           HA       PHE   8  -7.744  16.102  -8.211
   70   1HB   PHE   8          HB2       PHE   8  -9.713  14.328  -6.703
   71   2HB   PHE   8          HB3       PHE   8 -10.127  15.298  -8.111
   72    HD1  PHE   8           HD1      PHE   8  -8.972  14.894 -10.308
   73    HD2  PHE   8           HD2      PHE   8  -8.590  12.184  -6.970
   74    HE1  PHE   8           HE1      PHE   8  -7.984  13.184 -11.808
   75    HE2  PHE   8           HE2      PHE   8  -7.627  10.470  -8.493
   76    HZ   PHE   8           HZ       PHE   8  -7.303  10.974 -10.885
   77    H    LEU   9           H        LEU   9  -8.934  17.990  -8.251
   78    HA   LEU   9           HA       LEU   9  -9.899  19.171  -5.689
   79   1HB   LEU   9          HB2       LEU   9  -7.645  19.952  -7.497
   80   2HB   LEU   9          HB3       LEU   9  -8.819  21.221  -7.313
   81    HG   LEU   9           HG       LEU   9  -7.001  21.545  -5.816
   82   1HD1  LEU   9          HD11      LEU   9  -9.377  20.770  -4.092
   83   2HD1  LEU   9          HD12      LEU   9  -8.236  22.113  -3.888
   84   3HD1  LEU   9          HD13      LEU   9  -9.406  22.170  -5.196
   85   1HD2  LEU   9          HD21      LEU   9  -6.453  20.066  -3.972
   86   2HD2  LEU   9          HD22      LEU   9  -7.758  18.951  -4.403
   87   3HD2  LEU   9          HD23      LEU   9  -6.365  19.151  -5.481
   88    H    CYS  10           H        CYS  10 -11.827  20.313  -5.968
   89    HA   CYS  10           HA       CYS  10 -12.374  21.586  -8.479
   90   1HB   CYS  10          HB2       CYS  10 -14.298  20.577  -9.210
   91   2HB   CYS  10          HB3       CYS  10 -13.270  19.197  -8.812
   92    HG   CYS  10           HG       CYS  10 -14.325  18.484  -6.701
   93    H    THR  11           H        THR  11 -14.727  22.776  -8.180
   94    HA   THR  11           HA       THR  11 -14.364  24.363  -5.860
   95    HB   THR  11           HB       THR  11 -16.615  25.343  -6.750
   96    HG1  THR  11           HG1      THR  11 -17.017  24.785  -8.863
   97   1HG2  THR  11          HG21      THR  11 -15.369  26.588  -8.405
   98   2HG2  THR  11          HG22      THR  11 -14.288  26.270  -7.036
   99   3HG2  THR  11          HG23      THR  11 -14.129  25.322  -8.521
  100    H    GLY  12           H        GLY  12 -15.888  21.343  -5.988
  101   1HA   GLY  12          HA1       GLY  12 -16.743  21.618  -3.255
  102   2HA   GLY  12          HA2       GLY  12 -18.127  21.479  -4.364
  103    H    ASN  13           H        ASN  13 -15.495  19.875  -2.843
  104    HA   ASN  13           HA       ASN  13 -14.604  17.821  -4.379
  105   1HB   ASN  13          HB2       ASN  13 -13.841  18.196  -2.065
  106   2HB   ASN  13          HB3       ASN  13 -15.424  17.794  -1.439
  107   1HD2  ASN  13          HD22      ASN  13 -12.786  16.290  -3.395
  108   2HD2  ASN  13          HD21      ASN  13 -13.077  14.658  -2.794
  109    H    SER  14           H        SER  14 -17.636  17.888  -2.637
  110    HA   SER  14           HA       SER  14 -18.488  15.488  -2.207
  111   1HB   SER  14          HB2       SER  14 -20.168  17.695  -3.453
  112   2HB   SER  14          HB3       SER  14 -20.719  16.502  -2.267
  113    HG   SER  14           HG       SER  14 -20.091  18.720  -1.555
  114    H    CYS  15           H        CYS  15 -18.563  16.820  -5.548
  115    HA   CYS  15           HA       CYS  15 -19.779  14.245  -6.429
  116   1HB   CYS  15          HB2       CYS  15 -20.702  15.591  -8.357
  117   2HB   CYS  15          HB3       CYS  15 -21.430  15.866  -6.777
  118    HG   CYS  15           HG       CYS  15 -21.357  18.153  -7.973
  119    H    ARG  16           H        ARG  16 -18.051  16.880  -8.185
  120    HA   ARG  16           HA       ARG  16 -17.190  15.152 -10.187
  121   1HB   ARG  16          HB2       ARG  16 -15.531  17.554  -9.339
  122   2HB   ARG  16          HB3       ARG  16 -15.610  16.811 -10.922
  123   1HG   ARG  16          HG2       ARG  16 -17.961  17.617 -11.180
  124   2HG   ARG  16          HG3       ARG  16 -17.836  18.406  -9.583
  125   1HD   ARG  16          HD2       ARG  16 -15.719  19.557 -10.447
  126   2HD   ARG  16          HD3       ARG  16 -16.097  18.915 -12.035
  127    HE   ARG  16           HE       ARG  16 -17.808  20.418 -12.293
  128   1HH1  ARG  16          HH21      ARG  16 -16.968  20.625  -8.839
  129   2HH1  ARG  16          HH22      ARG  16 -17.173  22.354  -8.776
  130   1HH2  ARG  16          HH11      ARG  16 -17.894  22.671 -12.214
  131   2HH2  ARG  16          HH12      ARG  16 -18.002  23.490 -10.682
  132    H    SER  17           H        SER  17 -15.197  16.194  -7.335
  133    HA   SER  17           HA       SER  17 -12.949  14.728  -8.239
  134   1HB   SER  17          HB2       SER  17 -13.407  15.448  -5.362
  135   2HB   SER  17          HB3       SER  17 -11.907  15.467  -6.325
  136    HG   SER  17           HG       SER  17 -12.590  17.542  -5.936
  137    H    GLN  18           H        GLN  18 -15.668  13.848  -6.082
  138    HA   GLN  18           HA       GLN  18 -14.558  11.371  -5.152
  139   1HB   GLN  18          HB2       GLN  18 -17.436  12.336  -5.548
  140   2HB   GLN  18          HB3       GLN  18 -17.025  10.815  -4.776
  141   1HG   GLN  18          HG2       GLN  18 -16.106  13.542  -3.783
  142   2HG   GLN  18          HG3       GLN  18 -17.504  12.675  -3.168
  143   1HE2  GLN  18          HE22      GLN  18 -15.041  13.531  -1.730
  144   2HE2  GLN  18          HE21      GLN  18 -14.412  12.046  -1.027
  145    H    MET  19           H        MET  19 -16.548  12.200  -8.051
  146    HA   MET  19           HA       MET  19 -16.732   9.492  -9.007
  147   1HB   MET  19          HB2       MET  19 -16.909  12.159 -10.491
  148   2HB   MET  19          HB3       MET  19 -17.290  10.586 -11.201
  149   1HG   MET  19          HG2       MET  19 -19.131  10.247  -9.687
  150   2HG   MET  19          HG3       MET  19 -18.670  11.648  -8.728
  151   1HE   MET  19          HE1       MET  19 -20.142  10.422 -12.130
  152   2HE   MET  19          HE2       MET  19 -20.600  11.941 -12.933
  153   3HE   MET  19          HE3       MET  19 -18.885  11.521 -12.749
  154    H    ALA  20           H        ALA  20 -14.453  12.189  -9.794
  155    HA   ALA  20           HA       ALA  20 -12.880  10.786 -11.649
  156   1HB   ALA  20          HB1       ALA  20 -12.723  13.233 -11.217
  157   2HB   ALA  20          HB2       ALA  20 -11.966  12.895  -9.642
  158   3HB   ALA  20          HB3       ALA  20 -11.139  12.437 -11.142
  159    H    GLU  21           H        GLU  21 -12.540  10.956  -8.068
  160    HA   GLU  21           HA       GLU  21 -10.207   9.467  -7.793
  161   1HB   GLU  21          HB2       GLU  21 -11.279  10.812  -6.034
  162   2HB   GLU  21          HB3       GLU  21 -12.646   9.690  -5.965
  163   1HG   GLU  21          HG2       GLU  21 -11.065   7.889  -5.308
  164   2HG   GLU  21          HG3       GLU  21  -9.763   9.093  -5.256
  165    H    GLY  22           H        GLY  22 -13.642   8.363  -7.869
  166   1HA   GLY  22          HA1       GLY  22 -13.265   5.607  -7.589
  167   2HA   GLY  22          HA2       GLY  22 -14.594   6.397  -8.454
  168    H    TRP  23           H        TRP  23 -13.446   7.492 -10.748
  169    HA   TRP  23           HA       TRP  23 -12.940   5.095 -12.311
  170   1HB   TRP  23          HB2       TRP  23 -12.633   8.042 -12.892
  171   2HB   TRP  23          HB3       TRP  23 -12.222   6.823 -14.086
  172    HD1  TRP  23           HD1      TRP  23 -15.024   8.722 -12.587
  173    HE1  TRP  23           HE1      TRP  23 -17.162   8.361 -13.879
  174    HE3  TRP  23           HE3      TRP  23 -13.633   4.605 -15.315
  175    HZ2  TRP  23           HZ2      TRP  23 -18.167   6.554 -15.909
  176    HZ3  TRP  23           HZ3      TRP  23 -15.208   3.627 -16.959
  177    HH2  TRP  23           HH2      TRP  23 -17.489   4.639 -17.268
  178    H    ALA  24           H        ALA  24 -10.808   7.542 -10.789
  179    HA   ALA  24           HA       ALA  24  -8.509   6.802 -12.232
  180   1HB   ALA  24          HB1       ALA  24  -8.840   8.095  -9.500
  181   2HB   ALA  24          HB2       ALA  24  -7.291   8.016 -10.385
  182   3HB   ALA  24          HB3       ALA  24  -8.670   8.924 -11.035
  183    H    LYS  25           H        LYS  25  -9.837   5.487  -9.186
  184    HA   LYS  25           HA       LYS  25  -7.643   3.759  -8.622
  185   1HB   LYS  25          HB2       LYS  25 -10.626   3.571  -8.043
  186   2HB   LYS  25          HB3       LYS  25  -9.471   2.386  -7.418
  187   1HG   LYS  25          HG2       LYS  25  -8.327   3.976  -6.092
  188   2HG   LYS  25          HG3       LYS  25  -9.036   5.354  -6.945
  189   1HD   LYS  25          HD2       LYS  25 -11.268   4.787  -6.061
  190   2HD   LYS  25          HD3       LYS  25 -10.557   3.437  -5.133
  191   1HE   LYS  25          HE2       LYS  25  -9.112   5.026  -3.898
  192   2HE   LYS  25          HE3       LYS  25  -9.686   6.353  -4.916
  193   1HZ   LYS  25          HZ1       LYS  25 -11.957   5.823  -4.038
  194   2HZ   LYS  25          HZ2       LYS  25 -11.227   4.900  -2.870
  195   3HZ   LYS  25          HZ3       LYS  25 -10.939   6.531  -3.001
  196    H    GLN  26           H        GLN  26  -9.987   3.542 -11.210
  197    HA   GLN  26           HA       GLN  26  -9.465   0.665 -11.669
  198   1HB   GLN  26          HB2       GLN  26 -11.349   2.745 -12.788
  199   2HB   GLN  26          HB3       GLN  26 -10.916   1.386 -13.796
  200   1HG   GLN  26          HG2       GLN  26 -13.053   1.231 -12.385
  201   2HG   GLN  26          HG3       GLN  26 -11.988  -0.165 -12.469
  202   1HE2  GLN  26          HE22      GLN  26 -12.330   2.811 -10.286
  203   2HE2  GLN  26          HE21      GLN  26 -12.183   1.858  -8.846
  204    H    TYR  27           H        TYR  27  -8.898   3.823 -13.277
  205    HA   TYR  27           HA       TYR  27  -7.372   2.570 -15.398
  206   1HB   TYR  27          HB2       TYR  27  -7.803   5.473 -14.620
  207   2HB   TYR  27          HB3       TYR  27  -6.887   4.971 -16.038
  208    HD1  TYR  27           HD1      TYR  27 -10.043   6.075 -15.063
  209    HD2  TYR  27           HD2      TYR  27  -8.179   3.059 -17.523
  210    HE1  TYR  27           HE1      TYR  27 -12.099   5.907 -16.428
  211    HE2  TYR  27           HE2      TYR  27 -10.249   2.850 -18.854
  212    HH   TYR  27           HH       TYR  27 -12.428   3.631 -19.181
  213    H    LEU  28           H        LEU  28  -6.462   3.978 -12.286
  214    HA   LEU  28           HA       LEU  28  -3.584   3.904 -12.997
  215   1HB   LEU  28          HB2       LEU  28  -4.895   4.865 -10.433
  216   2HB   LEU  28          HB3       LEU  28  -3.233   5.101 -10.948
  217    HG   LEU  28           HG       LEU  28  -5.697   6.376 -12.207
  218   1HD1  LEU  28          HD11      LEU  28  -4.784   8.454 -11.336
  219   2HD1  LEU  28          HD12      LEU  28  -5.005   7.292 -10.011
  220   3HD1  LEU  28          HD13      LEU  28  -3.383   7.597 -10.665
  221   1HD2  LEU  28          HD21      LEU  28  -2.800   6.781 -13.014
  222   2HD2  LEU  28          HD22      LEU  28  -4.022   5.917 -13.966
  223   3HD2  LEU  28          HD23      LEU  28  -4.221   7.634 -13.649
  224    H    GLY  29           H        GLY  29  -3.286   3.306  -9.905
  225   1HA   GLY  29          HA1       GLY  29  -4.021   0.684  -9.340
  226   2HA   GLY  29          HA2       GLY  29  -2.529   0.585 -10.301
  227    H    ASP  30           H        ASP  30  -1.938  -0.344  -8.004
  228    HA   ASP  30           HA       ASP  30  -1.722   1.390  -5.800
  229   1HB   ASP  30          HB2       ASP  30  -1.681  -1.133  -5.778
  230   2HB   ASP  30          HB3       ASP  30   0.007  -1.055  -6.309
  231    H    GLU  31           H        GLU  31   0.202   1.298  -8.593
  232    HA   GLU  31           HA       GLU  31   2.695   2.383  -7.802
  233   1HB   GLU  31          HB2       GLU  31   2.002   1.459 -10.048
  234   2HB   GLU  31          HB3       GLU  31   0.984   2.873 -10.286
  235   1HG   GLU  31          HG2       GLU  31   3.111   4.286 -10.129
  236   2HG   GLU  31          HG3       GLU  31   4.022   2.778 -10.134
  237    H    TRP  32           H        TRP  32  -0.474   3.690  -7.500
  238    HA   TRP  32           HA       TRP  32   0.598   6.361  -6.825
  239   1HB   TRP  32          HB2       TRP  32  -2.122   5.878  -8.078
  240   2HB   TRP  32          HB3       TRP  32  -1.352   7.413  -7.761
  241    HD1  TRP  32           HD1      TRP  32  -0.748   4.358 -10.069
  242    HE1  TRP  32           HE1      TRP  32  -0.318   5.198 -12.447
  243    HE3  TRP  32           HE3      TRP  32  -0.721   9.400  -9.167
  244    HZ2  TRP  32           HZ2      TRP  32  -0.279   7.695 -13.826
  245    HZ3  TRP  32           HZ3      TRP  32  -0.593  10.992 -11.064
  246    HH2  TRP  32           HH2      TRP  32  -0.450  10.148 -13.408
  247    H    LYS  33           H        LYS  33  -0.862   7.435  -5.288
  248    HA   LYS  33           HA       LYS  33  -2.931   5.745  -3.955
  249   1HB   LYS  33          HB2       LYS  33  -0.990   7.767  -2.770
  250   2HB   LYS  33          HB3       LYS  33  -2.489   7.330  -1.962
  251   1HG   LYS  33          HG2       LYS  33  -0.357   5.312  -2.722
  252   2HG   LYS  33          HG3       LYS  33  -0.433   6.164  -1.181
  253   1HD   LYS  33          HD2       LYS  33  -1.390   4.155  -0.634
  254   2HD   LYS  33          HD3       LYS  33  -2.782   5.188  -0.873
  255   1HE   LYS  33          HE2       LYS  33  -3.127   2.939  -1.773
  256   2HE   LYS  33          HE3       LYS  33  -3.215   4.121  -3.079
  257   1HZ   LYS  33          HZ1       LYS  33  -0.663   2.788  -2.510
  258   2HZ   LYS  33          HZ2       LYS  33  -1.774   1.950  -3.310
  259   3HZ   LYS  33          HZ3       LYS  33  -1.240   3.372  -3.954
  260    H    VAL  34           H        VAL  34  -4.905   6.660  -4.004
  261    HA   VAL  34           HA       VAL  34  -5.091   9.288  -5.385
  262    HB   VAL  34           HB       VAL  34  -5.455   7.954  -7.146
  263   1HG1  VAL  34          HG11      VAL  34  -6.676   5.738  -5.481
  264   2HG1  VAL  34          HG12      VAL  34  -6.480   5.736  -7.257
  265   3HG1  VAL  34          HG13      VAL  34  -5.060   5.750  -6.223
  266   1HG2  VAL  34          HG21      VAL  34  -7.741   7.761  -7.725
  267   2HG2  VAL  34          HG22      VAL  34  -8.263   7.669  -6.049
  268   3HG2  VAL  34          HG23      VAL  34  -7.622   9.196  -6.690
  269    H    TYR  35           H        TYR  35  -6.080  10.708  -4.266
  270    HA   TYR  35           HA       TYR  35  -8.599  10.040  -2.922
  271   1HB   TYR  35          HB2       TYR  35  -7.390  11.908  -1.166
  272   2HB   TYR  35          HB3       TYR  35  -7.929  10.287  -0.835
  273    HD1  TYR  35           HD1      TYR  35  -6.326   8.399  -0.734
  274    HD2  TYR  35           HD2      TYR  35  -5.019  12.456  -1.402
  275    HE1  TYR  35           HE1      TYR  35  -4.024   7.765  -0.069
  276    HE2  TYR  35           HE2      TYR  35  -2.725  11.837  -0.740
  277    HH   TYR  35           HH       TYR  35  -1.318  10.128   0.016
  278    H    SER  36           H        SER  36  -9.621  12.273  -2.196
  279    HA   SER  36           HA       SER  36  -9.006  14.342  -4.237
  280   1HB   SER  36          HB2       SER  36 -11.389  14.479  -4.685
  281   2HB   SER  36          HB3       SER  36 -10.761  12.889  -5.139
  282    HG   SER  36           HG       SER  36 -11.737  11.996  -3.400
  283    H    ALA  37           H        ALA  37  -9.877  16.407  -3.802
  284    HA   ALA  37           HA       ALA  37 -11.222  16.897  -1.247
  285   1HB   ALA  37          HB1       ALA  37  -8.736  18.418  -2.134
  286   2HB   ALA  37          HB2       ALA  37  -9.725  18.657  -0.667
  287   3HB   ALA  37          HB3       ALA  37  -8.781  17.183  -0.838
  288    H    GLY  38           H        GLY  38 -11.154  19.700  -1.534
  289   1HA   GLY  38          HA1       GLY  38 -11.664  20.666  -4.138
  290   2HA   GLY  38          HA2       GLY  38 -13.199  20.347  -3.306
  291    H    ILE  39           H        ILE  39 -12.827  22.875  -3.877
  292    HA   ILE  39           HA       ILE  39 -11.516  24.589  -2.006
  293    HB   ILE  39           HB       ILE  39 -13.950  24.790  -3.794
  294   1HG1  ILE  39          HG12      ILE  39 -12.679  26.589  -4.885
  295   2HG1  ILE  39          HG13      ILE  39 -11.399  26.448  -3.684
  296   1HG2  ILE  39          HG21      ILE  39 -13.125  26.987  -1.872
  297   2HG2  ILE  39          HG22      ILE  39 -14.220  27.190  -3.258
  298   3HG2  ILE  39          HG23      ILE  39 -14.691  26.133  -1.935
  299   1HD1  ILE  39          HD11      ILE  39 -12.157  24.318  -5.731
  300   2HD1  ILE  39          HD12      ILE  39 -10.802  25.433  -5.837
  301   3HD1  ILE  39          HD13      ILE  39 -10.806  24.211  -4.570
  302    H    GLU  40           H        GLU  40 -14.643  22.911  -1.970
  303    HA   GLU  40           HA       GLU  40 -14.541  22.859   0.957
  304   1HB   GLU  40          HB2       GLU  40 -16.866  23.439   1.237
  305   2HB   GLU  40          HB3       GLU  40 -16.011  24.777   0.487
  306   1HG   GLU  40          HG2       GLU  40 -16.990  24.346  -1.667
  307   2HG   GLU  40          HG3       GLU  40 -17.587  22.756  -1.183
  308    H    ALA  41           H        ALA  41 -16.540  21.397   1.609
  309    HA   ALA  41           HA       ALA  41 -17.179  19.194  -0.228
  310   1HB   ALA  41          HB1       ALA  41 -15.186  18.341   0.907
  311   2HB   ALA  41          HB2       ALA  41 -15.796  18.893   2.488
  312   3HB   ALA  41          HB3       ALA  41 -16.626  17.592   1.635
  313    H    HIS  42           H        HIS  42 -19.166  18.318   0.398
  314    HA   HIS  42           HA       HIS  42 -20.473  19.350   2.859
  315   1HB   HIS  42          HB2       HIS  42 -21.187  20.023   0.103
  316   2HB   HIS  42          HB3       HIS  42 -22.494  19.148   0.878
  317    HD1  HIS  42           HD1      HIS  42 -20.779  22.573   0.991
  318    HD2  HIS  42           HD2      HIS  42 -23.579  20.240   3.141
  319    HE1  HIS  42           HE1      HIS  42 -21.965  24.148   2.580
  320    H    GLY  43           H        GLY  43 -19.764  16.642   0.757
  321   1HA   GLY  43          HA1       GLY  43 -20.120  14.735   2.584
  322   2HA   GLY  43          HA2       GLY  43 -21.780  14.904   1.981
  323    H    LEU  44           H        LEU  44 -20.587  12.512   1.580
  324    HA   LEU  44           HA       LEU  44 -19.449  12.296  -1.097
  325   1HB   LEU  44          HB2       LEU  44 -19.089  10.566   0.663
  326   2HB   LEU  44          HB3       LEU  44 -20.831  10.287   0.742
  327    HG   LEU  44           HG       LEU  44 -20.742   9.630  -1.717
  328   1HD1  LEU  44          HD11      LEU  44 -18.622  10.620  -2.396
  329   2HD1  LEU  44          HD12      LEU  44 -17.747   9.645  -1.192
  330   3HD1  LEU  44          HD13      LEU  44 -18.533   8.867  -2.581
  331   1HD2  LEU  44          HD21      LEU  44 -19.773   7.377  -1.195
  332   2HD2  LEU  44          HD22      LEU  44 -19.217   8.020   0.359
  333   3HD2  LEU  44          HD23      LEU  44 -20.949   7.948   0.002
  334    H    ASN  45           H        ASN  45 -20.762  13.216  -2.695
  335    HA   ASN  45           HA       ASN  45 -23.514  13.662  -2.326
  336   1HB   ASN  45          HB2       ASN  45 -21.985  14.941  -3.800
  337   2HB   ASN  45          HB3       ASN  45 -21.997  13.611  -4.964
  338   1HD2  ASN  45          HD22      ASN  45 -23.079  16.567  -4.889
  339   2HD2  ASN  45          HD21      ASN  45 -24.703  16.373  -5.501
  340    HA   PRO  46           HA       PRO  46 -25.109   9.520  -3.279
  341   1HB   PRO  46          HB2       PRO  46 -27.569  11.127  -3.994
  342   2HB   PRO  46          HB3       PRO  46 -27.450   9.608  -3.052
  343   1HG   PRO  46          HG2       PRO  46 -27.756  11.981  -1.780
  344   2HG   PRO  46          HG3       PRO  46 -26.590  10.773  -1.149
  345   1HD   PRO  46          HD2       PRO  46 -26.025  13.227  -2.828
  346   2HD   PRO  46          HD3       PRO  46 -25.146  12.597  -1.400
  347    H    ASN  47           H        ASN  47 -25.510  12.285  -5.558
  348    HA   ASN  47           HA       ASN  47 -26.108  10.662  -7.847
  349   1HB   ASN  47          HB2       ASN  47 -26.339  12.622  -8.851
  350   2HB   ASN  47          HB3       ASN  47 -25.891  13.452  -7.383
  351   1HD2  ASN  47          HD22      ASN  47 -25.001  12.756 -10.674
  352   2HD2  ASN  47          HD21      ASN  47 -23.400  13.460 -10.623
  353    H    ALA  48           H        ALA  48 -23.024  11.684  -6.337
  354    HA   ALA  48           HA       ALA  48 -21.402  10.670  -8.487
  355   1HB   ALA  48          HB1       ALA  48 -20.715  11.255  -5.563
  356   2HB   ALA  48          HB2       ALA  48 -19.551  10.898  -6.842
  357   3HB   ALA  48          HB3       ALA  48 -20.549  12.359  -6.949
  358    H    VAL  49           H        VAL  49 -22.650   9.343  -5.379
  359    HA   VAL  49           HA       VAL  49 -21.211   6.892  -5.539
  360    HB   VAL  49           HB       VAL  49 -23.905   7.289  -4.202
  361   1HG1  VAL  49          HG11      VAL  49 -23.316   4.920  -4.518
  362   2HG1  VAL  49          HG12      VAL  49 -21.669   5.214  -3.931
  363   3HG1  VAL  49          HG13      VAL  49 -23.061   5.357  -2.828
  364   1HG2  VAL  49          HG21      VAL  49 -22.484   7.565  -2.147
  365   2HG2  VAL  49          HG22      VAL  49 -21.050   7.655  -3.203
  366   3HG2  VAL  49          HG23      VAL  49 -22.313   8.895  -3.288
  367    H    LYS  50           H        LYS  50 -24.610   7.682  -6.642
  368    HA   LYS  50           HA       LYS  50 -24.896   5.053  -7.681
  369   1HB   LYS  50          HB2       LYS  50 -26.723   6.822  -7.125
  370   2HB   LYS  50          HB3       LYS  50 -26.483   7.386  -8.789
  371   1HG   LYS  50          HG2       LYS  50 -26.944   5.028  -9.589
  372   2HG   LYS  50          HG3       LYS  50 -27.192   4.538  -7.903
  373   1HD   LYS  50          HD2       LYS  50 -29.013   6.319  -7.780
  374   2HD   LYS  50          HD3       LYS  50 -28.877   6.482  -9.531
  375   1HE   LYS  50          HE2       LYS  50 -29.547   3.888  -8.056
  376   2HE   LYS  50          HE3       LYS  50 -30.742   5.009  -8.706
  377   1HZ   LYS  50          HZ1       LYS  50 -30.465   3.327 -10.276
  378   2HZ   LYS  50          HZ2       LYS  50 -29.708   4.610 -10.929
  379   3HZ   LYS  50          HZ3       LYS  50 -28.848   3.354 -10.274
  380    H    ALA  51           H        ALA  51 -23.834   8.098  -9.288
  381    HA   ALA  51           HA       ALA  51 -23.795   7.113 -11.903
  382   1HB   ALA  51          HB1       ALA  51 -21.884   9.124 -10.615
  383   2HB   ALA  51          HB2       ALA  51 -22.141   8.910 -12.358
  384   3HB   ALA  51          HB3       ALA  51 -23.467   9.507 -11.343
  385    H    MET  52           H        MET  52 -21.326   6.684  -9.332
  386    HA   MET  52           HA       MET  52 -19.544   5.277 -11.198
  387   1HB   MET  52          HB2       MET  52 -19.492   5.734  -8.195
  388   2HB   MET  52          HB3       MET  52 -18.206   4.964  -9.123
  389   1HG   MET  52          HG2       MET  52 -19.135   7.843  -9.336
  390   2HG   MET  52          HG3       MET  52 -17.599   7.254  -8.719
  391   1HE   MET  52          HE1       MET  52 -17.107   4.935 -11.082
  392   2HE   MET  52          HE2       MET  52 -15.941   5.832 -12.033
  393   3HE   MET  52          HE3       MET  52 -15.859   5.902 -10.265
  394    H    LYS  53           H        LYS  53 -21.822   4.447  -8.564
  395    HA   LYS  53           HA       LYS  53 -21.042   1.757  -8.271
  396   1HB   LYS  53          HB2       LYS  53 -22.467   3.209  -6.731
  397   2HB   LYS  53          HB3       LYS  53 -23.836   2.872  -7.804
  398   1HG   LYS  53          HG2       LYS  53 -23.445   0.395  -7.273
  399   2HG   LYS  53          HG3       LYS  53 -22.203   0.922  -6.116
  400   1HD   LYS  53          HD2       LYS  53 -24.055   2.416  -5.063
  401   2HD   LYS  53          HD3       LYS  53 -25.184   1.548  -6.101
  402   1HE   LYS  53          HE2       LYS  53 -25.378   0.325  -4.166
  403   2HE   LYS  53          HE3       LYS  53 -24.155  -0.617  -5.022
  404   1HZ   LYS  53          HZ1       LYS  53 -23.527  -0.232  -2.725
  405   2HZ   LYS  53          HZ2       LYS  53 -22.459   0.576  -3.664
  406   3HZ   LYS  53          HZ3       LYS  53 -23.638   1.387  -2.888
  407    H    GLU  54           H        GLU  54 -23.341   3.279 -10.517
  408    HA   GLU  54           HA       GLU  54 -24.338   0.862 -11.640
  409   1HB   GLU  54          HB2       GLU  54 -24.155   3.710 -12.672
  410   2HB   GLU  54          HB3       GLU  54 -24.950   2.435 -13.591
  411   1HG   GLU  54          HG2       GLU  54 -25.710   3.285 -10.770
  412   2HG   GLU  54          HG3       GLU  54 -26.482   3.866 -12.241
  413    H    VAL  55           H        VAL  55 -21.190   2.360 -12.022
  414    HA   VAL  55           HA       VAL  55 -20.564   0.868 -14.492
  415    HB   VAL  55           HB       VAL  55 -18.596   2.340 -12.690
  416   1HG1  VAL  55          HG11      VAL  55 -17.353   2.695 -14.810
  417   2HG1  VAL  55          HG12      VAL  55 -17.545   0.987 -14.456
  418   3HG1  VAL  55          HG13      VAL  55 -18.577   1.751 -15.685
  419   1HG2  VAL  55          HG21      VAL  55 -18.848   4.344 -14.105
  420   2HG2  VAL  55          HG22      VAL  55 -20.199   3.576 -14.967
  421   3HG2  VAL  55          HG23      VAL  55 -20.332   3.993 -13.239
  422    H    GLY  56           H        GLY  56 -20.899   0.177 -11.162
  423   1HA   GLY  56          HA1       GLY  56 -20.331  -1.718  -9.979
  424   2HA   GLY  56          HA2       GLY  56 -19.218  -2.234 -11.259
  425    H    ILE  57           H        ILE  57 -19.105   1.108 -10.016
  426    HA   ILE  57           HA       ILE  57 -16.531   0.508  -8.628
  427    HB   ILE  57           HB       ILE  57 -17.358   2.983 -10.172
  428   1HG1  ILE  57          HG12      ILE  57 -15.164   0.954 -10.798
  429   2HG1  ILE  57          HG13      ILE  57 -16.733   0.995 -11.600
  430   1HG2  ILE  57          HG21      ILE  57 -15.060   3.800  -9.647
  431   2HG2  ILE  57          HG22      ILE  57 -15.963   3.510  -8.173
  432   3HG2  ILE  57          HG23      ILE  57 -14.754   2.331  -8.703
  433   1HD1  ILE  57          HD11      ILE  57 -15.155   2.071 -13.026
  434   2HD1  ILE  57          HD12      ILE  57 -16.278   3.290 -12.415
  435   3HD1  ILE  57          HD13      ILE  57 -14.631   3.174 -11.741
  436    H    ASP  58           H        ASP  58 -17.432   0.141  -6.700
  437    HA   ASP  58           HA       ASP  58 -19.733   1.608  -5.734
  438   1HB   ASP  58          HB2       ASP  58 -19.482  -0.782  -5.326
  439   2HB   ASP  58          HB3       ASP  58 -17.986  -0.508  -4.421
  440    H    ILE  59           H        ILE  59 -18.665   3.797  -5.835
  441    HA   ILE  59           HA       ILE  59 -16.540   4.323  -3.990
  442    HB   ILE  59           HB       ILE  59 -16.657   6.586  -4.528
  443   1HG1  ILE  59          HG12      ILE  59 -19.219   6.287  -6.099
  444   2HG1  ILE  59          HG13      ILE  59 -19.202   6.799  -4.417
  445   1HG2  ILE  59          HG21      ILE  59 -17.265   5.074  -7.070
  446   2HG2  ILE  59          HG22      ILE  59 -16.327   6.575  -6.907
  447   3HG2  ILE  59          HG23      ILE  59 -15.704   5.071  -6.216
  448   1HD1  ILE  59          HD11      ILE  59 -19.263   8.792  -5.648
  449   2HD1  ILE  59          HD12      ILE  59 -17.622   8.654  -5.016
  450   3HD1  ILE  59          HD13      ILE  59 -17.936   8.294  -6.726
  451    H    SER  60           H        SER  60 -19.612   3.492  -3.150
  452    HA   SER  60           HA       SER  60 -20.497   5.319  -1.284
  453   1HB   SER  60          HB2       SER  60 -20.459   2.316  -0.814
  454   2HB   SER  60          HB3       SER  60 -21.660   3.495  -0.268
  455    HG   SER  60           HG       SER  60 -21.310   2.229  -2.720
  456    H    ASN  61           H        ASN  61 -17.697   3.206  -1.165
  457    HA   ASN  61           HA       ASN  61 -17.164   3.276   1.634
  458   1HB   ASN  61          HB2       ASN  61 -15.187   2.121   1.123
  459   2HB   ASN  61          HB3       ASN  61 -16.331   1.554  -0.078
  460   1HD2  ASN  61          HD22      ASN  61 -15.980   2.265  -2.397
  461   2HD2  ASN  61          HD21      ASN  61 -14.430   2.925  -2.826
  462    H    GLN  62           H        GLN  62 -16.652   5.730  -0.810
  463    HA   GLN  62           HA       GLN  62 -14.225   6.814   0.341
  464   1HB   GLN  62          HB2       GLN  62 -16.091   7.938  -1.793
  465   2HB   GLN  62          HB3       GLN  62 -14.486   8.557  -1.359
  466   1HG   GLN  62          HG2       GLN  62 -13.494   6.367  -2.008
  467   2HG   GLN  62          HG3       GLN  62 -15.080   5.828  -2.558
  468   1HE2  GLN  62          HE22      GLN  62 -15.057   9.076  -3.522
  469   2HE2  GLN  62          HE21      GLN  62 -14.517   8.767  -5.163
  470    H    THR  63           H        THR  63 -14.308   9.288   0.817
  471    HA   THR  63           HA       THR  63 -16.763  10.295   1.960
  472    HB   THR  63           HB       THR  63 -15.393  10.968   4.087
  473    HG1  THR  63           HG1      THR  63 -13.392  10.104   3.475
  474   1HG2  THR  63          HG21      THR  63 -16.195   9.084   5.326
  475   2HG2  THR  63          HG22      THR  63 -17.367   9.399   4.033
  476   3HG2  THR  63          HG23      THR  63 -16.224   8.049   3.884
  477    H    SER  64           H        SER  64 -16.509  12.687   2.465
  478    HA   SER  64           HA       SER  64 -14.753  13.849   0.434
  479   1HB   SER  64          HB2       SER  64 -16.472  15.709   0.686
  480   2HB   SER  64          HB3       SER  64 -17.090  14.171   0.094
  481    HG   SER  64           HG       SER  64 -17.307  15.163   2.753
  482    H    ASP  65           H        ASP  65 -13.663  15.838   0.821
  483    HA   ASP  65           HA       ASP  65 -13.391  16.910   3.499
  484   1HB   ASP  65          HB2       ASP  65 -11.765  14.918   3.427
  485   2HB   ASP  65          HB3       ASP  65 -10.901  15.787   2.153
  486    H    ILE  66           H        ILE  66 -11.979  18.887   3.416
  487    HA   ILE  66           HA       ILE  66 -12.102  20.167   0.746
  488    HB   ILE  66           HB       ILE  66 -12.178  22.216   1.805
  489   1HG1  ILE  66          HG12      ILE  66 -11.252  20.898   4.380
  490   2HG1  ILE  66          HG13      ILE  66 -10.384  22.091   3.391
  491   1HG2  ILE  66          HG21      ILE  66 -13.754  20.542   3.801
  492   2HG2  ILE  66          HG22      ILE  66 -14.176  22.119   3.105
  493   3HG2  ILE  66          HG23      ILE  66 -14.198  20.658   2.099
  494   1HD1  ILE  66          HD11      ILE  66 -12.862  22.538   5.072
  495   2HD1  ILE  66          HD12      ILE  66 -11.257  23.265   5.272
  496   3HD1  ILE  66          HD13      ILE  66 -12.272  23.717   3.873
  497    H    ILE  67           H        ILE  67 -10.167  21.520   0.206
  498    HA   ILE  67           HA       ILE  67  -8.031  19.787  -0.037
  499    HB   ILE  67           HB       ILE  67  -8.576  21.436  -1.626
  500   1HG1  ILE  67          HG12      ILE  67  -6.220  20.523  -1.389
  501   2HG1  ILE  67          HG13      ILE  67  -6.501  21.877  -2.459
  502   1HG2  ILE  67          HG21      ILE  67  -8.032  23.823  -1.435
  503   2HG2  ILE  67          HG22      ILE  67  -9.327  23.329  -0.344
  504   3HG2  ILE  67          HG23      ILE  67  -7.690  23.611   0.293
  505   1HD1  ILE  67          HD11      ILE  67  -5.503  23.461  -0.960
  506   2HD1  ILE  67          HD12      ILE  67  -5.350  22.256   0.329
  507   3HD1  ILE  67          HD13      ILE  67  -4.402  22.089  -1.150
  508    H    ASP  68           H        ASP  68  -6.336  19.199   1.011
  509    HA   ASP  68           HA       ASP  68  -5.436  20.707   3.413
  510   1HB   ASP  68          HB2       ASP  68  -6.100  18.385   3.848
  511   2HB   ASP  68          HB3       ASP  68  -4.982  17.810   2.604
  512    H    SER  69           H        SER  69  -3.776  22.040   2.920
  513    HA   SER  69           HA       SER  69  -2.464  21.991   0.466
  514   1HB   SER  69          HB2       SER  69  -1.472  23.352   2.991
  515   2HB   SER  69          HB3       SER  69  -1.240  23.869   1.307
  516    HG   SER  69           HG       SER  69  -2.928  25.012   2.429
  517    H    ASP  70           H        ASP  70  -1.642  20.111   3.330
  518    HA   ASP  70           HA       ASP  70   1.186  19.972   2.650
  519   1HB   ASP  70          HB2       ASP  70   0.600  19.855   5.001
  520   2HB   ASP  70          HB3       ASP  70  -0.434  18.454   4.715
  521    H    ILE  71           H        ILE  71  -1.761  17.954   2.349
  522    HA   ILE  71           HA       ILE  71  -0.367  15.774   1.035
  523    HB   ILE  71           HB       ILE  71  -3.307  16.577   0.901
  524   1HG1  ILE  71          HG12      ILE  71  -1.803  14.355   2.364
  525   2HG1  ILE  71          HG13      ILE  71  -2.416  15.828   3.123
  526   1HG2  ILE  71          HG21      ILE  71  -3.632  14.287  -0.092
  527   2HG2  ILE  71          HG22      ILE  71  -2.677  15.308  -1.141
  528   3HG2  ILE  71          HG23      ILE  71  -1.856  14.090  -0.144
  529   1HD1  ILE  71          HD11      ILE  71  -4.065  13.560   1.957
  530   2HD1  ILE  71          HD12      ILE  71  -3.957  14.086   3.641
  531   3HD1  ILE  71          HD13      ILE  71  -4.751  15.133   2.445
  532    H    LEU  72           H        LEU  72  -2.062  18.708  -0.161
  533    HA   LEU  72           HA       LEU  72  -1.687  18.353  -2.909
  534   1HB   LEU  72          HB2       LEU  72  -2.943  20.190  -1.679
  535   2HB   LEU  72          HB3       LEU  72  -1.387  20.925  -1.324
  536    HG   LEU  72           HG       LEU  72  -1.118  20.770  -4.007
  537   1HD1  LEU  72          HD11      LEU  72  -3.296  21.360  -5.067
  538   2HD1  LEU  72          HD12      LEU  72  -3.308  19.718  -4.417
  539   3HD1  LEU  72          HD13      LEU  72  -4.128  21.027  -3.543
  540   1HD2  LEU  72          HD21      LEU  72  -0.905  22.812  -2.705
  541   2HD2  LEU  72          HD22      LEU  72  -1.985  23.117  -4.072
  542   3HD2  LEU  72          HD23      LEU  72  -2.659  22.870  -2.448
  543    H    ASN  73           H        ASN  73   0.619  19.827  -0.542
  544    HA   ASN  73           HA       ASN  73   2.646  20.243  -2.508
  545   1HB   ASN  73          HB2       ASN  73   2.519  20.449   0.503
  546   2HB   ASN  73          HB3       ASN  73   4.090  20.425  -0.281
  547   1HD2  ASN  73          HD22      ASN  73   1.010  22.227  -0.175
  548   2HD2  ASN  73          HD21      ASN  73   1.562  23.587  -1.133
  549    H    ASN  74           H        ASN  74   1.710  17.288  -0.993
  550    HA   ASN  74           HA       ASN  74   4.423  16.073  -1.302
  551   1HB   ASN  74          HB2       ASN  74   1.827  15.172   0.009
  552   2HB   ASN  74          HB3       ASN  74   3.036  14.003  -0.475
  553   1HD2  ASN  74          HD22      ASN  74   2.266  16.452   1.858
  554   2HD2  ASN  74          HD21      ASN  74   3.623  16.137   2.916
  555    H    ALA  75           H        ALA  75   1.393  16.511  -2.984
  556    HA   ALA  75           HA       ALA  75   1.202  13.946  -4.075
  557   1HB   ALA  75          HB1       ALA  75  -0.682  15.460  -3.866
  558   2HB   ALA  75          HB2       ALA  75   0.034  16.557  -5.067
  559   3HB   ALA  75          HB3       ALA  75  -0.499  14.928  -5.551
  560    H    ASP  76           H        ASP  76   1.585  13.164  -6.252
  561    HA   ASP  76           HA       ASP  76   3.964  14.297  -7.607
  562   1HB   ASP  76          HB2       ASP  76   3.584  11.810  -7.505
  563   2HB   ASP  76          HB3       ASP  76   2.106  12.036  -8.462
  564    H    LEU  77           H        LEU  77   0.436  14.121  -7.854
  565    HA   LEU  77           HA       LEU  77   0.425  16.065 -10.074
  566   1HB   LEU  77          HB2       LEU  77   0.344  13.914 -11.152
  567   2HB   LEU  77          HB3       LEU  77  -0.868  13.324 -10.007
  568    HG   LEU  77           HG       LEU  77  -2.545  14.825 -10.921
  569   1HD1  LEU  77          HD11      LEU  77  -2.214  16.145 -12.915
  570   2HD1  LEU  77          HD12      LEU  77  -1.031  16.695 -11.747
  571   3HD1  LEU  77          HD13      LEU  77  -0.544  15.617 -13.061
  572   1HD2  LEU  77          HD21      LEU  77  -2.195  12.567 -11.928
  573   2HD2  LEU  77          HD22      LEU  77  -2.865  13.727 -13.078
  574   3HD2  LEU  77          HD23      LEU  77  -1.148  13.281 -13.152
  575    H    VAL  78           H        VAL  78  -1.202  17.416 -10.025
  576    HA   VAL  78           HA       VAL  78  -3.430  17.132  -8.068
  577    HB   VAL  78           HB       VAL  78  -1.523  19.431  -8.615
  578   1HG1  VAL  78          HG11      VAL  78  -2.929  20.930  -7.290
  579   2HG1  VAL  78          HG12      VAL  78  -3.828  20.406  -8.706
  580   3HG1  VAL  78          HG13      VAL  78  -4.185  19.673  -7.128
  581   1HG2  VAL  78          HG21      VAL  78  -2.530  18.148  -6.030
  582   2HG2  VAL  78          HG22      VAL  78  -0.970  17.833  -6.793
  583   3HG2  VAL  78          HG23      VAL  78  -1.313  19.452  -6.165
  584    H    VAL  79           H        VAL  79  -5.346  17.275  -9.103
  585    HA   VAL  79           HA       VAL  79  -5.335  18.237 -11.929
  586    HB   VAL  79           HB       VAL  79  -7.022  15.998 -10.775
  587   1HG1  VAL  79          HG11      VAL  79  -7.993  17.162 -12.729
  588   2HG1  VAL  79          HG12      VAL  79  -6.487  16.907 -13.637
  589   3HG1  VAL  79          HG13      VAL  79  -7.499  15.519 -13.157
  590   1HG2  VAL  79          HG21      VAL  79  -4.757  15.172 -10.767
  591   2HG2  VAL  79          HG22      VAL  79  -5.602  14.458 -12.138
  592   3HG2  VAL  79          HG23      VAL  79  -4.473  15.800 -12.415
  593    H    THR  80           H        THR  80  -6.557  20.051 -12.129
  594    HA   THR  80           HA       THR  80  -8.641  20.597 -10.077
  595    HB   THR  80           HB       THR  80  -8.372  22.970 -11.019
  596    HG1  THR  80           HG1      THR  80  -7.133  22.573 -12.838
  597   1HG2  THR  80          HG21      THR  80  -7.559  22.363  -8.824
  598   2HG2  THR  80          HG22      THR  80  -6.151  21.516  -9.503
  599   3HG2  THR  80          HG23      THR  80  -6.282  23.273  -9.614
  600    H    LEU  81           H        LEU  81 -10.386  19.609 -10.713
  601    HA   LEU  81           HA       LEU  81 -10.978  18.946 -13.435
  602   1HB   LEU  81          HB2       LEU  81 -12.628  18.728 -10.888
  603   2HB   LEU  81          HB3       LEU  81 -13.042  17.939 -12.401
  604    HG   LEU  81           HG       LEU  81 -10.469  17.365 -10.867
  605   1HD1  LEU  81          HD11      LEU  81 -12.427  16.738  -9.525
  606   2HD1  LEU  81          HD12      LEU  81 -13.083  15.806 -10.894
  607   3HD1  LEU  81          HD13      LEU  81 -11.565  15.310 -10.116
  608   1HD2  LEU  81          HD21      LEU  81 -10.342  16.795 -13.271
  609   2HD2  LEU  81          HD22      LEU  81 -10.401  15.330 -12.285
  610   3HD2  LEU  81          HD23      LEU  81 -11.849  15.878 -13.149
  611    H    CYS  82           H        CYS  82 -11.489  22.024 -12.099
  612    HA   CYS  82           HA       CYS  82 -13.388  22.542 -14.172
  613   1HB   CYS  82          HB2       CYS  82 -15.182  23.510 -12.797
  614   2HB   CYS  82          HB3       CYS  82 -14.997  21.783 -12.501
  615    HG   CYS  82           HG       CYS  82 -15.533  23.374 -10.296
  616    H    GLY  83           H        GLY  83 -13.886  24.906 -14.309
  617   1HA   GLY  83          HA1       GLY  83 -11.600  26.257 -14.884
  618   2HA   GLY  83          HA2       GLY  83 -13.155  27.024 -14.609
  619    H    ASP  84           H        ASP  84 -13.719  27.280 -12.154
  620    HA   ASP  84           HA       ASP  84 -11.824  29.186 -11.231
  621   1HB   ASP  84          HB2       ASP  84 -14.232  29.390 -10.851
  622   2HB   ASP  84          HB3       ASP  84 -14.215  27.958  -9.823
  623    H    ALA  85           H        ALA  85 -12.256  25.769 -10.404
  624    HA   ALA  85           HA       ALA  85 -10.975  25.850  -7.876
  625   1HB   ALA  85          HB1       ALA  85 -11.145  23.542  -9.863
  626   2HB   ALA  85          HB2       ALA  85 -10.696  23.410  -8.148
  627   3HB   ALA  85          HB3       ALA  85 -12.329  23.937  -8.591
  628    H    ALA  86           H        ALA  86  -9.619  26.021 -11.090
  629    HA   ALA  86           HA       ALA  86  -7.037  24.986 -10.574
  630   1HB   ALA  86          HB1       ALA  86  -7.950  25.451 -12.796
  631   2HB   ALA  86          HB2       ALA  86  -7.875  27.202 -12.465
  632   3HB   ALA  86          HB3       ALA  86  -6.378  26.245 -12.553
  633    H    ASP  87           H        ASP  87  -8.501  28.045  -9.571
  634    HA   ASP  87           HA       ASP  87  -6.066  29.434  -8.995
  635   1HB   ASP  87          HB2       ASP  87  -8.260  30.552  -9.210
  636   2HB   ASP  87          HB3       ASP  87  -8.839  29.691  -7.777
  637    H    LYS  88           H        LYS  88  -7.919  26.959  -7.276
  638    HA   LYS  88           HA       LYS  88  -6.725  27.667  -4.694
  639   1HB   LYS  88          HB2       LYS  88  -9.154  26.986  -5.033
  640   2HB   LYS  88          HB3       LYS  88  -8.567  25.343  -5.318
  641   1HG   LYS  88          HG2       LYS  88  -9.261  25.447  -3.064
  642   2HG   LYS  88          HG3       LYS  88  -7.499  25.443  -3.007
  643   1HD   LYS  88          HD2       LYS  88  -7.453  27.853  -2.571
  644   2HD   LYS  88          HD3       LYS  88  -9.213  27.964  -2.825
  645   1HE   LYS  88          HE2       LYS  88  -9.588  26.418  -0.940
  646   2HE   LYS  88          HE3       LYS  88  -7.844  26.290  -0.676
  647   1HZ   LYS  88          HZ1       LYS  88  -7.817  28.669  -0.148
  648   2HZ   LYS  88          HZ2       LYS  88  -9.429  28.786  -0.391
  649   3HZ   LYS  88          HZ3       LYS  88  -8.851  27.889   0.839
  650    H    CYS  89           H        CYS  89  -4.577  27.256  -5.864
  651    HA   CYS  89           HA       CYS  89  -3.668  24.509  -5.106
  652   1HB   CYS  89          HB2       CYS  89  -2.628  26.154  -7.443
  653   2HB   CYS  89          HB3       CYS  89  -2.005  24.593  -6.883
  654    HG   CYS  89           HG       CYS  89  -4.906  25.421  -8.206
  655    HA   PRO  90           HA       PRO  90  -1.499  27.802  -2.624
  656   1HB   PRO  90          HB2       PRO  90  -1.630  26.596  -0.179
  657   2HB   PRO  90          HB3       PRO  90  -2.933  27.628  -0.849
  658   1HG   PRO  90          HG2       PRO  90  -2.708  24.612  -0.965
  659   2HG   PRO  90          HG3       PRO  90  -4.128  25.579  -0.437
  660   1HD   PRO  90          HD2       PRO  90  -3.997  24.600  -2.947
  661   2HD   PRO  90          HD3       PRO  90  -4.592  26.258  -2.668
  662    H    MET  91           H        MET  91   0.126  27.106  -3.985
  663    HA   MET  91           HA       MET  91   2.281  26.723  -4.326
  664   1HB   MET  91          HB2       MET  91   2.653  27.344  -2.013
  665   2HB   MET  91          HB3       MET  91   2.377  25.686  -1.470
  666   1HG   MET  91          HG2       MET  91   4.722  26.259  -1.549
  667   2HG   MET  91          HG3       MET  91   4.312  24.894  -2.581
  668   1HE   MET  91          HE1       MET  91   6.800  25.163  -3.444
  669   2HE   MET  91          HE2       MET  91   7.415  26.578  -4.331
  670   3HE   MET  91          HE3       MET  91   7.095  26.689  -2.586
  671    H    THR  92           H        THR  92   2.563  25.329  -5.924
  672    HA   THR  92           HA       THR  92   2.590  22.421  -5.348
  673    HB   THR  92           HB       THR  92   1.492  22.035  -7.579
  674    HG1  THR  92           HG1      THR  92   1.674  24.198  -8.372
  675   1HG2  THR  92          HG21      THR  92  -0.271  23.482  -5.585
  676   2HG2  THR  92          HG22      THR  92  -0.737  22.207  -6.735
  677   3HG2  THR  92          HG23      THR  92   0.326  21.825  -5.373
  678    HA   PRO  93           HA       PRO  93   6.528  24.014  -7.206
  679   1HB   PRO  93          HB2       PRO  93   8.225  22.307  -5.831
  680   2HB   PRO  93          HB3       PRO  93   7.617  23.853  -5.181
  681   1HG   PRO  93          HG2       PRO  93   6.549  21.059  -4.707
  682   2HG   PRO  93          HG3       PRO  93   6.876  22.339  -3.496
  683   1HD   PRO  93          HD2       PRO  93   4.387  21.879  -4.459
  684   2HD   PRO  93          HD3       PRO  93   4.943  23.538  -4.111
  685    HA   PRO  94           HA       PRO  94   7.079  21.214 -10.483
  686   1HB   PRO  94          HB2       PRO  94   9.892  20.560  -9.579
  687   2HB   PRO  94          HB3       PRO  94   9.300  20.907 -11.239
  688   1HG   PRO  94          HG2       PRO  94  10.487  22.870  -9.816
  689   2HG   PRO  94          HG3       PRO  94   8.970  23.225 -10.707
  690   1HD   PRO  94          HD2       PRO  94   9.344  22.676  -7.766
  691   2HD   PRO  94          HD3       PRO  94   8.296  23.883  -8.567
  692    H    HIS  95           H        HIS  95   7.993  19.627  -7.409
  693    HA   HIS  95           HA       HIS  95   7.874  16.910  -8.268
  694   1HB   HIS  95          HB2       HIS  95   8.586  17.663  -6.009
  695   2HB   HIS  95          HB3       HIS  95   6.940  18.182  -5.652
  696    HD1  HIS  95           HD1      HIS  95   5.052  15.963  -5.639
  697    HD2  HIS  95           HD2      HIS  95   9.204  15.212  -5.418
  698    HE1  HIS  95           HE1      HIS  95   5.310  13.606  -4.762
  699    H    VAL  96           H        VAL  96   5.400  19.324  -7.634
  700    HA   VAL  96           HA       VAL  96   3.157  17.429  -7.779
  701    HB   VAL  96           HB       VAL  96   3.117  20.387  -7.014
  702   1HG1  VAL  96          HG11      VAL  96   1.089  19.710  -5.824
  703   2HG1  VAL  96          HG12      VAL  96   0.986  19.263  -7.537
  704   3HG1  VAL  96          HG13      VAL  96   1.351  18.026  -6.311
  705   1HG2  VAL  96          HG21      VAL  96   3.203  19.797  -4.655
  706   2HG2  VAL  96          HG22      VAL  96   3.649  18.137  -5.057
  707   3HG2  VAL  96          HG23      VAL  96   4.737  19.480  -5.461
  708    H    LYS  97           H        LYS  97   3.256  17.094 -10.085
  709    HA   LYS  97           HA       LYS  97   3.250  19.377 -11.882
  710   1HB   LYS  97          HB2       LYS  97   3.333  17.887 -13.610
  711   2HB   LYS  97          HB3       LYS  97   4.094  16.958 -12.329
  712   1HG   LYS  97          HG2       LYS  97   1.650  15.991 -11.965
  713   2HG   LYS  97          HG3       LYS  97   1.367  16.653 -13.589
  714   1HD   LYS  97          HD2       LYS  97   3.430  15.327 -14.342
  715   2HD   LYS  97          HD3       LYS  97   3.438  14.603 -12.726
  716   1HE   LYS  97          HE2       LYS  97   2.345  13.052 -14.164
  717   2HE   LYS  97          HE3       LYS  97   1.105  13.751 -13.129
  718   1HZ   LYS  97          HZ1       LYS  97   0.515  13.579 -15.548
  719   2HZ   LYS  97          HZ2       LYS  97   0.412  15.150 -15.055
  720   3HZ   LYS  97          HZ3       LYS  97   1.674  14.566 -15.945
  721    H    ARG  98           H        ARG  98   1.355  19.607 -13.424
  722    HA   ARG  98           HA       ARG  98  -1.191  19.632 -11.881
  723   1HB   ARG  98          HB2       ARG  98   0.289  21.892 -13.300
  724   2HB   ARG  98          HB3       ARG  98  -1.404  22.017 -12.881
  725   1HG   ARG  98          HG2       ARG  98   0.800  21.495 -10.829
  726   2HG   ARG  98          HG3       ARG  98   0.232  23.101 -11.260
  727   1HD   ARG  98          HD2       ARG  98  -1.590  20.926 -10.158
  728   2HD   ARG  98          HD3       ARG  98  -0.781  22.138  -9.167
  729    HE   ARG  98           HE       ARG  98  -2.055  23.861 -10.109
  730   1HH1  ARG  98          HH21      ARG  98  -3.290  20.648 -11.143
  731   2HH1  ARG  98          HH22      ARG  98  -4.631  21.334 -11.988
  732   1HH2  ARG  98          HH11      ARG  98  -3.965  24.678 -11.109
  733   2HH2  ARG  98          HH12      ARG  98  -5.116  23.548 -11.773
  734    H    GLU  99           H        GLU  99  -2.961  19.137 -13.017
  735    HA   GLU  99           HA       GLU  99  -3.035  19.503 -15.956
  736   1HB   GLU  99          HB2       GLU  99  -3.464  16.960 -14.434
  737   2HB   GLU  99          HB3       GLU  99  -4.774  17.403 -15.495
  738   1HG   GLU  99          HG2       GLU  99  -3.306  15.920 -16.653
  739   2HG   GLU  99          HG3       GLU  99  -3.320  17.497 -17.425
  740    H    HIS 100           H        HIS 100  -5.311  19.944 -16.632
  741    HA   HIS 100           HA       HIS 100  -7.130  20.804 -14.494
  742   1HB   HIS 100          HB2       HIS 100  -5.563  22.676 -14.662
  743   2HB   HIS 100          HB3       HIS 100  -5.681  22.666 -16.419
  744    HD1  HIS 100           HD1      HIS 100  -8.915  22.633 -14.245
  745    HD2  HIS 100           HD2      HIS 100  -6.549  25.108 -16.713
  746    HE1  HIS 100           HE1      HIS 100 -10.254  24.709 -14.664
  747    H    TRP 101           H        TRP 101  -9.218  20.866 -15.199
  748    HA   TRP 101           HA       TRP 101  -9.890  20.601 -18.060
  749   1HB   TRP 101          HB2       TRP 101 -10.994  18.692 -15.997
  750   2HB   TRP 101          HB3       TRP 101 -11.137  18.630 -17.752
  751    HD1  TRP 101           HD1      TRP 101  -8.968  17.574 -14.905
  752    HE1  TRP 101           HE1      TRP 101  -7.010  16.134 -15.688
  753    HE3  TRP 101           HE3      TRP 101  -9.405  18.321 -19.950
  754    HZ2  TRP 101           HZ2      TRP 101  -5.768  15.401 -18.197
  755    HZ3  TRP 101           HZ3      TRP 101  -7.826  17.222 -21.516
  756    HH2  TRP 101           HH2      TRP 101  -6.015  15.745 -20.647
  757    H    GLY 102           H        GLY 102 -12.535  20.456 -17.991
  758   1HA   GLY 102          HA1       GLY 102 -13.466  22.693 -16.232
  759   2HA   GLY 102          HA2       GLY 102 -13.547  22.799 -17.982
  760    H    PHE 103           H        PHE 103 -15.050  21.503 -15.117
  761    HA   PHE 103           HA       PHE 103 -17.276  20.504 -16.781
  762   1HB   PHE 103          HB2       PHE 103 -16.021  19.103 -14.391
  763   2HB   PHE 103          HB3       PHE 103 -17.570  18.660 -15.097
  764    HD1  PHE 103           HD1      PHE 103 -17.705  17.746 -17.425
  765    HD2  PHE 103           HD2      PHE 103 -13.923  18.454 -15.479
  766    HE1  PHE 103           HE1      PHE 103 -16.554  16.400 -19.158
  767    HE2  PHE 103           HE2      PHE 103 -12.771  17.140 -17.230
  768    HZ   PHE 103           HZ       PHE 103 -14.080  16.137 -19.092
  769    H    ASP 104           H        ASP 104 -19.306  20.842 -15.979
  770    HA   ASP 104           HA       ASP 104 -19.668  22.830 -13.860
  771   1HB   ASP 104          HB2       ASP 104 -21.094  22.632 -15.954
  772   2HB   ASP 104          HB3       ASP 104 -21.716  21.115 -15.291
  773    H    ASP 105           H        ASP 105 -21.390  22.160 -12.121
  774    HA   ASP 105           HA       ASP 105 -20.538  19.730 -10.700
  775   1HB   ASP 105          HB2       ASP 105 -21.122  21.823  -9.535
  776   2HB   ASP 105          HB3       ASP 105 -22.769  21.720 -10.166
  777    HA   PRO 106           HA       PRO 106 -23.556  17.649 -13.318
  778   1HB   PRO 106          HB2       PRO 106 -23.366  15.062 -12.370
  779   2HB   PRO 106          HB3       PRO 106 -22.142  15.817 -13.432
  780   1HG   PRO 106          HG2       PRO 106 -22.103  15.608 -10.403
  781   2HG   PRO 106          HG3       PRO 106 -20.786  15.205 -11.556
  782   1HD   PRO 106          HD2       PRO 106 -20.867  17.593 -10.274
  783   2HD   PRO 106          HD3       PRO 106 -20.349  17.494 -11.984
  784    H    ALA 107           H        ALA 107 -23.705  17.549  -9.767
  785    HA   ALA 107           HA       ALA 107 -26.234  16.197  -9.651
  786   1HB   ALA 107          HB1       ALA 107 -24.864  17.948  -7.571
  787   2HB   ALA 107          HB2       ALA 107 -26.214  16.831  -7.283
  788   3HB   ALA 107          HB3       ALA 107 -24.631  16.199  -7.782
  789    H    ARG 108           H        ARG 108 -25.344  19.477 -10.340
  790    HA   ARG 108           HA       ARG 108 -28.085  20.483  -9.798
  791   1HB   ARG 108          HB2       ARG 108 -25.387  21.881 -10.153
  792   2HB   ARG 108          HB3       ARG 108 -26.931  22.733 -10.208
  793   1HG   ARG 108          HG2       ARG 108 -26.439  22.986  -7.997
  794   2HG   ARG 108          HG3       ARG 108 -27.473  21.558  -7.977
  795   1HD   ARG 108          HD2       ARG 108 -25.211  20.215  -7.999
  796   2HD   ARG 108          HD3       ARG 108 -24.489  21.768  -7.556
  797    HE   ARG 108           HE       ARG 108 -26.739  21.216  -5.886
  798   1HH1  ARG 108          HH21      ARG 108 -23.327  20.251  -6.301
  799   2HH1  ARG 108          HH22      ARG 108 -23.187  19.645  -4.687
  800   1HH2  ARG 108          HH12      ARG 108 -26.519  20.423  -3.755
  801   2HH2  ARG 108          HH11      ARG 108 -25.033  19.748  -3.213
  802    H    ALA 109           H        ALA 109 -26.631  18.962 -12.313
  803    HA   ALA 109           HA       ALA 109 -27.389  20.578 -14.523
  804   1HB   ALA 109          HB1       ALA 109 -25.965  18.530 -14.697
  805   2HB   ALA 109          HB2       ALA 109 -27.363  17.533 -14.222
  806   3HB   ALA 109          HB3       ALA 109 -27.400  18.434 -15.750
  807    H    GLN 110           H        GLN 110 -29.409  20.549 -15.648
  808    HA   GLN 110           HA       GLN 110 -31.735  19.315 -14.354
  809   1HB   GLN 110          HB2       GLN 110 -32.784  21.471 -13.763
  810   2HB   GLN 110          HB3       GLN 110 -31.314  21.153 -12.860
  811   1HG   GLN 110          HG2       GLN 110 -30.100  22.677 -14.575
  812   2HG   GLN 110          HG3       GLN 110 -31.713  23.141 -15.127
  813   1HE2  GLN 110          HE21      GLN 110 -29.608  22.924 -12.213
  814   2HE2  GLN 110          HE22      GLN 110 -30.325  24.288 -11.372
  815    H    GLY 111           H        GLY 111 -33.773  20.003 -15.403
  816   1HA   GLY 111          HA1       GLY 111 -34.491  21.331 -17.552
  817   2HA   GLY 111          HA2       GLY 111 -33.501  20.080 -18.341
  818    H    THR 112           H        THR 112 -33.906  17.874 -16.833
  819    HA   THR 112           HA       THR 112 -36.465  17.359 -15.825
  820    HB   THR 112           HB       THR 112 -37.267  17.277 -18.102
  821    HG1  THR 112           HG1      THR 112 -38.198  15.685 -17.041
  822   1HG2  THR 112          HG21      THR 112 -34.966  15.409 -18.738
  823   2HG2  THR 112          HG22      THR 112 -36.374  15.679 -19.785
  824   3HG2  THR 112          HG23      THR 112 -35.278  17.017 -19.428
  825    H    GLU 113           H        GLU 113 -36.424  14.901 -15.177
  826    HA   GLU 113           HA       GLU 113 -34.012  14.473 -13.751
  827   1HB   GLU 113          HB2       GLU 113 -36.147  13.587 -13.004
  828   2HB   GLU 113          HB3       GLU 113 -36.299  12.586 -14.456
  829   1HG   GLU 113          HG2       GLU 113 -34.375  11.238 -13.805
  830   2HG   GLU 113          HG3       GLU 113 -34.042  12.298 -12.429
  831    H    GLU 114           H        GLU 114 -35.163  13.135 -16.844
  832    HA   GLU 114           HA       GLU 114 -32.933  11.367 -17.120
  833   1HB   GLU 114          HB2       GLU 114 -33.685  10.985 -19.396
  834   2HB   GLU 114          HB3       GLU 114 -35.018  10.892 -18.248
  835   1HG   GLU 114          HG2       GLU 114 -35.765  13.156 -18.901
  836   2HG   GLU 114          HG3       GLU 114 -34.411  13.289 -20.032
  837    H    GLU 115           H        GLU 115 -33.318  14.796 -17.820
  838    HA   GLU 115           HA       GLU 115 -31.038  14.943 -19.588
  839   1HB   GLU 115          HB2       GLU 115 -32.934  16.575 -19.647
  840   2HB   GLU 115          HB3       GLU 115 -32.456  17.150 -18.049
  841   1HG   GLU 115          HG2       GLU 115 -31.607  18.692 -19.639
  842   2HG   GLU 115          HG3       GLU 115 -30.226  17.814 -19.004
  843    H    LYS 116           H        LYS 116 -31.763  15.641 -16.141
  844    HA   LYS 116           HA       LYS 116 -29.163  16.346 -15.294
  845   1HB   LYS 116          HB2       LYS 116 -31.074  16.751 -13.901
  846   2HB   LYS 116          HB3       LYS 116 -31.539  15.049 -13.915
  847   1HG   LYS 116          HG2       LYS 116 -29.615  14.424 -12.610
  848   2HG   LYS 116          HG3       LYS 116 -28.977  16.078 -12.630
  849   1HD   LYS 116          HD2       LYS 116 -31.743  15.509 -11.527
  850   2HD   LYS 116          HD3       LYS 116 -30.301  15.123 -10.561
  851   1HE   LYS 116          HE2       LYS 116 -29.548  17.524 -10.895
  852   2HE   LYS 116          HE3       LYS 116 -31.129  17.848 -11.609
  853   1HZ   LYS 116          HZ1       LYS 116 -32.134  17.157  -9.488
  854   2HZ   LYS 116          HZ2       LYS 116 -30.647  16.908  -8.841
  855   3HZ   LYS 116          HZ3       LYS 116 -31.105  18.405  -9.275
  856    H    TRP 117           H        TRP 117 -30.720  13.110 -15.433
  857    HA   TRP 117           HA       TRP 117 -28.397  11.716 -14.545
  858   1HB   TRP 117          HB2       TRP 117 -30.671  10.741 -14.552
  859   2HB   TRP 117          HB3       TRP 117 -30.651  10.699 -16.317
  860    HD1  TRP 117           HD1      TRP 117 -29.191   8.831 -17.478
  861    HE1  TRP 117           HE1      TRP 117 -28.062   6.671 -16.654
  862    HE3  TRP 117           HE3      TRP 117 -29.299   9.727 -12.442
  863    HZ2  TRP 117           HZ2      TRP 117 -27.080   5.620 -14.179
  864    HZ3  TRP 117           HZ3      TRP 117 -28.123   8.205 -10.883
  865    HH2  TRP 117           HH2      TRP 117 -26.998   6.150 -11.732
  866    H    ALA 118           H        ALA 118 -29.510  12.529 -17.909
  867    HA   ALA 118           HA       ALA 118 -27.406  11.201 -19.241
  868   1HB   ALA 118          HB1       ALA 118 -27.865  12.764 -21.101
  869   2HB   ALA 118          HB2       ALA 118 -29.365  12.114 -20.410
  870   3HB   ALA 118          HB3       ALA 118 -28.853  13.771 -20.022
  871    H    PHE 119           H        PHE 119 -27.471  14.398 -17.627
  872    HA   PHE 119           HA       PHE 119 -24.884  15.192 -18.508
  873   1HB   PHE 119          HB2       PHE 119 -26.799  16.541 -17.343
  874   2HB   PHE 119          HB3       PHE 119 -26.041  16.011 -15.848
  875    HD1  PHE 119           HD1      PHE 119 -25.810  18.194 -18.780
  876    HD2  PHE 119           HD2      PHE 119 -23.708  16.760 -15.303
  877    HE1  PHE 119           HE1      PHE 119 -24.247  20.111 -18.936
  878    HE2  PHE 119           HE2      PHE 119 -22.187  18.730 -15.407
  879    HZ   PHE 119           HZ       PHE 119 -22.425  20.373 -17.276
  880    H    PHE 120           H        PHE 120 -25.977  13.293 -15.605
  881    HA   PHE 120           HA       PHE 120 -23.421  12.943 -14.421
  882   1HB   PHE 120          HB2       PHE 120 -25.547  10.786 -14.566
  883   2HB   PHE 120          HB3       PHE 120 -24.212  10.896 -13.459
  884    HD1  PHE 120           HD1      PHE 120 -25.458  14.222 -13.396
  885    HD2  PHE 120           HD2      PHE 120 -26.451  10.181 -12.238
  886    HE1  PHE 120           HE1      PHE 120 -27.040  15.074 -11.715
  887    HE2  PHE 120           HE2      PHE 120 -28.046  11.060 -10.556
  888    HZ   PHE 120           HZ       PHE 120 -28.357  13.515 -10.306
  889    H    GLN 121           H        GLN 121 -25.106  11.072 -17.024
  890    HA   GLN 121           HA       GLN 121 -23.097   9.139 -17.430
  891   1HB   GLN 121          HB2       GLN 121 -25.079  10.283 -19.436
  892   2HB   GLN 121          HB3       GLN 121 -24.060   8.892 -19.734
  893   1HG   GLN 121          HG2       GLN 121 -26.150   9.081 -17.525
  894   2HG   GLN 121          HG3       GLN 121 -26.359   8.260 -19.065
  895   1HE2  GLN 121          HE22      GLN 121 -25.811   7.586 -15.900
  896   2HE2  GLN 121          HE21      GLN 121 -24.844   6.139 -16.063
  897    H    ARG 122           H        ARG 122 -23.516  12.272 -19.120
  898    HA   ARG 122           HA       ARG 122 -21.214  11.979 -20.776
  899   1HB   ARG 122          HB2       ARG 122 -22.878  14.349 -19.879
  900   2HB   ARG 122          HB3       ARG 122 -21.299  14.649 -20.594
  901   1HG   ARG 122          HG2       ARG 122 -22.861  14.787 -22.358
  902   2HG   ARG 122          HG3       ARG 122 -21.912  13.316 -22.591
  903   1HD   ARG 122          HD2       ARG 122 -23.805  11.985 -21.624
  904   2HD   ARG 122          HD3       ARG 122 -24.737  13.474 -21.453
  905    HE   ARG 122           HE       ARG 122 -24.087  12.004 -23.917
  906   1HH1  ARG 122          HH21      ARG 122 -25.502  14.968 -22.558
  907   2HH1  ARG 122          HH22      ARG 122 -26.393  15.361 -23.981
  908   1HH2  ARG 122          HH11      ARG 122 -25.266  12.534 -25.811
  909   2HH2  ARG 122          HH12      ARG 122 -26.249  13.947 -25.870
  910    H    VAL 123           H        VAL 123 -21.556  13.598 -17.570
  911    HA   VAL 123           HA       VAL 123 -18.812  14.362 -17.510
  912    HB   VAL 123           HB       VAL 123 -20.890  14.057 -15.298
  913   1HG1  VAL 123          HG11      VAL 123 -18.117  15.326 -15.125
  914   2HG1  VAL 123          HG12      VAL 123 -19.399  15.486 -13.903
  915   3HG1  VAL 123          HG13      VAL 123 -18.683  13.904 -14.221
  916   1HG2  VAL 123          HG21      VAL 123 -21.335  15.842 -17.002
  917   2HG2  VAL 123          HG22      VAL 123 -20.930  16.541 -15.430
  918   3HG2  VAL 123          HG23      VAL 123 -19.719  16.504 -16.723
  919    H    ARG 124           H        ARG 124 -20.406  11.349 -16.107
  920    HA   ARG 124           HA       ARG 124 -17.928  10.525 -15.008
  921   1HB   ARG 124          HB2       ARG 124 -18.860   8.343 -14.675
  922   2HB   ARG 124          HB3       ARG 124 -20.119   9.522 -14.336
  923   1HG   ARG 124          HG2       ARG 124 -21.161   8.997 -16.512
  924   2HG   ARG 124          HG3       ARG 124 -19.872   7.840 -16.866
  925   1HD   ARG 124          HD2       ARG 124 -20.513   6.597 -14.764
  926   2HD   ARG 124          HD3       ARG 124 -21.924   7.665 -14.631
  927    HE   ARG 124           HE       ARG 124 -21.976   6.648 -17.234
  928   1HH1  ARG 124          HH21      ARG 124 -22.159   5.243 -13.963
  929   2HH1  ARG 124          HH22      ARG 124 -23.021   3.839 -14.502
  930   1HH2  ARG 124          HH11      ARG 124 -23.306   4.916 -17.844
  931   2HH2  ARG 124          HH12      ARG 124 -23.560   3.571 -16.783
  932    H    ASP 125           H        ASP 125 -19.325   9.901 -18.229
  933    HA   ASP 125           HA       ASP 125 -17.315   8.129 -19.126
  934   1HB   ASP 125          HB2       ASP 125 -19.401   8.440 -20.345
  935   2HB   ASP 125          HB3       ASP 125 -19.000  10.128 -20.679
  936    H    GLU 126           H        GLU 126 -17.458  11.745 -19.250
  937    HA   GLU 126           HA       GLU 126 -14.951  11.832 -20.626
  938   1HB   GLU 126          HB2       GLU 126 -16.815  13.899 -19.517
  939   2HB   GLU 126          HB3       GLU 126 -15.159  14.369 -19.894
  940   1HG   GLU 126          HG2       GLU 126 -16.917  12.934 -21.900
  941   2HG   GLU 126          HG3       GLU 126 -16.846  14.688 -21.743
  942    H    ILE 127           H        ILE 127 -15.827  12.198 -17.163
  943    HA   ILE 127           HA       ILE 127 -13.197  12.919 -16.325
  944    HB   ILE 127           HB       ILE 127 -15.663  12.474 -15.044
  945   1HG1  ILE 127          HG12      ILE 127 -14.393  13.103 -12.931
  946   2HG1  ILE 127          HG13      ILE 127 -12.930  13.137 -13.918
  947   1HG2  ILE 127          HG21      ILE 127 -13.724  10.514 -13.830
  948   2HG2  ILE 127          HG22      ILE 127 -15.285  11.041 -13.163
  949   3HG2  ILE 127          HG23      ILE 127 -15.250  10.157 -14.690
  950   1HD1  ILE 127          HD11      ILE 127 -14.060  15.383 -13.665
  951   2HD1  ILE 127          HD12      ILE 127 -13.974  14.876 -15.371
  952   3HD1  ILE 127          HD13      ILE 127 -15.497  14.721 -14.467
  953    H    GLY 128           H        GLY 128 -14.757   9.738 -16.936
  954   1HA   GLY 128          HA1       GLY 128 -12.592   8.113 -16.172
  955   2HA   GLY 128          HA2       GLY 128 -13.857   7.690 -17.350
  956    H    ASN 129           H        ASN 129 -13.462   9.448 -19.425
  957    HA   ASN 129           HA       ASN 129 -11.186   8.361 -20.726
  958   1HB   ASN 129          HB2       ASN 129 -13.087  10.571 -21.478
  959   2HB   ASN 129          HB3       ASN 129 -11.607  10.310 -22.404
  960   1HD2  ASN 129          HD22      ASN 129 -14.643   8.802 -21.420
  961   2HD2  ASN 129          HD21      ASN 129 -14.612   7.530 -22.627
  962    H    ARG 130           H        ARG 130 -11.573  11.417 -18.972
  963    HA   ARG 130           HA       ARG 130  -9.085  12.594 -19.691
  964   1HB   ARG 130          HB2       ARG 130 -11.113  12.961 -17.544
  965   2HB   ARG 130          HB3       ARG 130  -9.482  13.198 -16.962
  966   1HG   ARG 130          HG2       ARG 130 -10.064  15.287 -17.548
  967   2HG   ARG 130          HG3       ARG 130  -9.129  14.779 -18.941
  968   1HD   ARG 130          HD2       ARG 130 -12.142  15.057 -18.662
  969   2HD   ARG 130          HD3       ARG 130 -11.086  16.096 -19.616
  970    HE   ARG 130           HE       ARG 130 -12.444  13.786 -20.464
  971   1HH1  ARG 130          HH21      ARG 130  -9.120  15.050 -20.889
  972   2HH1  ARG 130          HH22      ARG 130  -8.822  14.035 -22.277
  973   1HH2  ARG 130          HH11      ARG 130 -12.199  12.948 -22.461
  974   2HH2  ARG 130          HH12      ARG 130 -10.569  12.707 -23.133
  975    H    LEU 131           H        LEU 131  -9.879  10.341 -17.031
  976    HA   LEU 131           HA       LEU 131  -7.204  10.271 -15.996
  977   1HB   LEU 131          HB2       LEU 131  -9.588   8.383 -15.743
  978   2HB   LEU 131          HB3       LEU 131  -8.167   8.298 -14.707
  979    HG   LEU 131           HG       LEU 131  -9.777  10.896 -14.931
  980   1HD1  LEU 131          HD11      LEU 131 -11.357   9.151 -14.392
  981   2HD1  LEU 131          HD12      LEU 131 -10.315   8.612 -13.051
  982   3HD1  LEU 131          HD13      LEU 131 -11.076  10.218 -13.013
  983   1HD2  LEU 131          HD21      LEU 131  -7.757  11.259 -13.854
  984   2HD2  LEU 131          HD22      LEU 131  -8.957  11.107 -12.575
  985   3HD2  LEU 131          HD23      LEU 131  -7.838   9.755 -12.920
  986    H    LYS 132           H        LYS 132  -9.080   8.110 -18.138
  987    HA   LYS 132           HA       LYS 132  -7.107   6.181 -18.634
  988   1HB   LYS 132          HB2       LYS 132  -9.290   5.721 -19.315
  989   2HB   LYS 132          HB3       LYS 132  -9.510   7.258 -20.096
  990   1HG   LYS 132          HG2       LYS 132  -7.620   5.218 -21.300
  991   2HG   LYS 132          HG3       LYS 132  -9.369   5.096 -21.494
  992   1HD   LYS 132          HD2       LYS 132  -9.155   7.657 -22.280
  993   2HD   LYS 132          HD3       LYS 132  -7.489   7.174 -22.593
  994   1HE   LYS 132          HE2       LYS 132  -8.653   6.902 -24.626
  995   2HE   LYS 132          HE3       LYS 132  -8.360   5.276 -24.004
  996   1HZ   LYS 132          HZ1       LYS 132 -10.619   5.566 -24.844
  997   2HZ   LYS 132          HZ2       LYS 132 -10.673   5.226 -23.256
  998   3HZ   LYS 132          HZ3       LYS 132 -10.939   6.761 -23.780
  999    H    GLU 133           H        GLU 133  -7.637   9.291 -20.342
 1000    HA   GLU 133           HA       GLU 133  -5.507   8.887 -22.199
 1001   1HB   GLU 133          HB2       GLU 133  -6.821  11.390 -21.083
 1002   2HB   GLU 133          HB3       GLU 133  -5.447  11.464 -22.203
 1003   1HG   GLU 133          HG2       GLU 133  -6.628  10.430 -23.965
 1004   2HG   GLU 133          HG3       GLU 133  -7.903   9.836 -22.908
 1005    H    PHE 134           H        PHE 134  -5.332  10.686 -18.965
 1006    HA   PHE 134           HA       PHE 134  -2.557  10.976 -19.579
 1007   1HB   PHE 134          HB2       PHE 134  -2.164  11.974 -17.537
 1008   2HB   PHE 134          HB3       PHE 134  -3.664  12.580 -18.202
 1009    HD1  PHE 134           HD1      PHE 134  -5.366  12.974 -16.696
 1010    HD2  PHE 134           HD2      PHE 134  -2.394   9.989 -15.740
 1011    HE1  PHE 134           HE1      PHE 134  -6.289  12.772 -14.417
 1012    HE2  PHE 134           HE2      PHE 134  -3.381   9.724 -13.489
 1013    HZ   PHE 134           HZ       PHE 134  -5.377  11.070 -12.846
 1014    H    ALA 135           H        ALA 135  -4.282   8.289 -18.113
 1015    HA   ALA 135           HA       ALA 135  -1.950   7.012 -17.049
 1016   1HB   ALA 135          HB1       ALA 135  -4.584   5.809 -18.003
 1017   2HB   ALA 135          HB2       ALA 135  -3.368   5.003 -16.994
 1018   3HB   ALA 135          HB3       ALA 135  -4.249   6.408 -16.363
 1019    H    GLU 136           H        GLU 136  -3.657   6.781 -20.180
 1020    HA   GLU 136           HA       GLU 136  -1.948   4.719 -21.225
 1021   1HB   GLU 136          HB2       GLU 136  -4.077   6.497 -22.454
 1022   2HB   GLU 136          HB3       GLU 136  -3.183   5.313 -23.396
 1023   1HG   GLU 136          HG2       GLU 136  -4.820   4.584 -20.927
 1024   2HG   GLU 136          HG3       GLU 136  -5.428   4.529 -22.576
 1025    H    THR 137           H        THR 137  -2.186   8.218 -21.706
 1026    HA   THR 137           HA       THR 137  -0.165   8.223 -23.723
 1027    HB   THR 137           HB       THR 137  -0.560  10.593 -23.837
 1028    HG1  THR 137           HG1      THR 137  -2.391  10.250 -21.721
 1029   1HG2  THR 137          HG21      THR 137  -3.123   8.929 -23.595
 1030   2HG2  THR 137          HG22      THR 137  -2.989  10.513 -24.399
 1031   3HG2  THR 137          HG23      THR 137  -2.101   9.108 -25.021
 1032    H    GLY 138           H        GLY 138  -0.268   8.549 -20.253
 1033   1HA   GLY 138          HA1       GLY 138   1.417   8.641 -18.703
 1034   2HA   GLY 138          HA2       GLY 138   2.629   8.703 -19.995
 1035    H    LYS 139           H        LYS 139  -0.061  10.986 -20.019
 1036    HA   LYS 139           HA       LYS 139   1.618  13.261 -20.150
 1037   1HB   LYS 139          HB2       LYS 139  -0.723  13.014 -21.027
 1038   2HB   LYS 139          HB3       LYS 139  -1.318  13.156 -19.363
 1039   1HG   LYS 139          HG2       LYS 139  -0.344  15.396 -19.168
 1040   2HG   LYS 139          HG3       LYS 139   0.364  15.266 -20.783
 1041   1HD   LYS 139          HD2       LYS 139  -2.625  15.265 -20.151
 1042   2HD   LYS 139          HD3       LYS 139  -1.687  16.643 -20.750
 1043   1HE   LYS 139          HE2       LYS 139  -1.069  15.266 -22.780
 1044   2HE   LYS 139          HE3       LYS 139  -2.177  14.008 -22.215
 1045   1HZ   LYS 139          HZ1       LYS 139  -2.957  16.782 -22.912
 1046   2HZ   LYS 139          HZ2       LYS 139  -3.216  15.467 -23.834
 1047   3HZ   LYS 139          HZ3       LYS 139  -3.986  15.614 -22.406
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1  -1.019   0.733   1.686
    2   2H    MET   1           H2       MET   1  -0.798   2.356   1.790
    3   3H    MET   1           H3       MET   1  -1.911   1.757   0.755
    4    HA   MET   1           HA       MET   1   1.000   1.436   0.557
    5   1HB   MET   1          HB2       MET   1  -1.202   0.321  -1.241
    6   2HB   MET   1          HB3       MET   1   0.485   0.478  -1.720
    7   1HG   MET   1          HG2       MET   1   0.232  -1.757  -1.046
    8   2HG   MET   1          HG3       MET   1   1.169  -0.950   0.199
    9   1HE   MET   1          HE1       MET   1  -2.786  -1.314  -0.523
   10   2HE   MET   1          HE2       MET   1  -2.033  -2.908  -0.756
   11   3HE   MET   1          HE3       MET   1  -3.134  -2.635   0.610
   12    H    GLU   2           H        GLU   2   2.044   2.927  -0.759
   13    HA   GLU   2           HA       GLU   2   0.571   4.735  -2.494
   14   1HB   GLU   2          HB2       GLU   2   0.286   5.781  -0.281
   15   2HB   GLU   2          HB3       GLU   2   2.016   5.675   0.034
   16   1HG   GLU   2          HG2       GLU   2   2.503   7.357  -1.626
   17   2HG   GLU   2          HG3       GLU   2   0.860   7.320  -2.250
   18    H    ASN   3           H        ASN   3   2.093   5.812  -3.897
   19    HA   ASN   3           HA       ASN   3   4.951   5.253  -3.717
   20   1HB   ASN   3          HB2       ASN   3   4.471   3.169  -4.654
   21   2HB   ASN   3          HB3       ASN   3   3.268   3.808  -5.749
   22   1HD2  ASN   3          HD22      ASN   3   3.951   4.703  -7.753
   23   2HD2  ASN   3          HD21      ASN   3   5.631   4.680  -8.271
   24    H    LYS   4           H        LYS   4   2.278   6.285  -5.825
   25    HA   LYS   4           HA       LYS   4   3.582   8.940  -6.199
   26   1HB   LYS   4          HB2       LYS   4   2.136   7.204  -8.247
   27   2HB   LYS   4          HB3       LYS   4   2.211   8.952  -8.420
   28   1HG   LYS   4          HG2       LYS   4   4.520   9.014  -8.719
   29   2HG   LYS   4          HG3       LYS   4   4.788   7.447  -7.961
   30   1HD   LYS   4          HD2       LYS   4   5.160   7.412 -10.400
   31   2HD   LYS   4          HD3       LYS   4   3.954   6.252  -9.840
   32   1HE   LYS   4          HE2       LYS   4   2.130   7.702 -10.599
   33   2HE   LYS   4          HE3       LYS   4   3.291   8.936 -11.119
   34   1HZ   LYS   4          HZ1       LYS   4   3.147   6.169 -12.214
   35   2HZ   LYS   4          HZ2       LYS   4   2.535   7.507 -12.946
   36   3HZ   LYS   4          HZ3       LYS   4   4.147   7.360 -12.737
   37    H    ILE   5           H        ILE   5   1.786  10.614  -6.630
   38    HA   ILE   5           HA       ILE   5  -0.617   9.981  -4.979
   39    HB   ILE   5           HB       ILE   5   1.447  12.187  -4.579
   40   1HG1  ILE   5          HG12      ILE   5   0.508   9.975  -2.721
   41   2HG1  ILE   5          HG13      ILE   5   2.058  10.041  -3.555
   42   1HG2  ILE   5          HG21      ILE   5  -0.044  13.060  -2.736
   43   2HG2  ILE   5          HG22      ILE   5  -0.803  13.174  -4.324
   44   3HG2  ILE   5          HG23      ILE   5  -1.274  11.889  -3.252
   45   1HD1  ILE   5          HD11      ILE   5   2.513  10.709  -1.346
   46   2HD1  ILE   5          HD12      ILE   5   2.576  12.189  -2.320
   47   3HD1  ILE   5          HD13      ILE   5   1.157  11.841  -1.295
   48    H    ILE   6           H        ILE   6  -2.378  10.656  -5.997
   49    HA   ILE   6           HA       ILE   6  -2.209  12.968  -7.843
   50    HB   ILE   6           HB       ILE   6  -2.410  11.144  -9.306
   51   1HG1  ILE   6          HG12      ILE   6  -5.193  12.306  -8.845
   52   2HG1  ILE   6          HG13      ILE   6  -3.871  13.068  -9.734
   53   1HG2  ILE   6          HG21      ILE   6  -4.039   9.330  -9.129
   54   2HG2  ILE   6          HG22      ILE   6  -3.026   9.352  -7.701
   55   3HG2  ILE   6          HG23      ILE   6  -4.671  10.017  -7.628
   56   1HD1  ILE   6          HD11      ILE   6  -5.373  12.134 -11.339
   57   2HD1  ILE   6          HD12      ILE   6  -3.943  11.083 -11.331
   58   3HD1  ILE   6          HD13      ILE   6  -5.439  10.582 -10.498
   59    H    TYR   7           H        TYR   7  -3.643  14.523  -7.345
   60    HA   TYR   7           HA       TYR   7  -5.583  13.970  -5.152
   61   1HB   TYR   7          HB2       TYR   7  -3.400  14.661  -4.362
   62   2HB   TYR   7          HB3       TYR   7  -3.476  16.132  -5.343
   63    HD1  TYR   7           HD1      TYR   7  -5.500  17.781  -4.811
   64    HD2  TYR   7           HD2      TYR   7  -4.144  14.631  -2.193
   65    HE1  TYR   7           HE1      TYR   7  -6.550  18.922  -2.881
   66    HE2  TYR   7           HE2      TYR   7  -5.151  15.788  -0.261
   67    HH   TYR   7           HH       TYR   7  -6.431  17.521   0.436
   68    H    PHE   8           H        PHE   8  -7.554  14.308  -6.170
   69    HA   PHE   8           HA       PHE   8  -7.929  16.245  -8.296
   70   1HB   PHE   8          HB2       PHE   8  -9.844  14.494  -6.695
   71   2HB   PHE   8          HB3       PHE   8 -10.331  15.526  -8.022
   72    HD1  PHE   8           HD1      PHE   8  -9.028  15.205 -10.282
   73    HD2  PHE   8           HD2      PHE   8  -9.252  12.230  -7.170
   74    HE1  PHE   8           HE1      PHE   8  -8.465  13.437 -11.932
   75    HE2  PHE   8           HE2      PHE   8  -8.622  10.482  -8.819
   76    HZ   PHE   8           HZ       PHE   8  -8.218  11.085 -11.177
   77    H    LEU   9           H        LEU   9  -9.295  18.087  -8.228
   78    HA   LEU   9           HA       LEU   9 -10.062  19.183  -5.588
   79   1HB   LEU   9          HB2       LEU   9  -7.626  19.660  -6.165
   80   2HB   LEU   9          HB3       LEU   9  -8.167  20.523  -7.583
   81    HG   LEU   9           HG       LEU   9  -7.448  21.954  -5.737
   82   1HD1  LEU   9          HD11      LEU   9  -9.132  23.597  -5.801
   83   2HD1  LEU   9          HD12      LEU   9  -9.227  22.748  -7.344
   84   3HD1  LEU   9          HD13      LEU   9 -10.423  22.418  -6.056
   85   1HD2  LEU   9          HD21      LEU   9  -8.767  22.223  -3.703
   86   2HD2  LEU   9          HD22      LEU   9  -9.794  20.856  -4.164
   87   3HD2  LEU   9          HD23      LEU   9  -8.077  20.587  -3.837
   88    H    CYS  10           H        CYS  10 -12.071  20.291  -5.835
   89    HA   CYS  10           HA       CYS  10 -12.553  21.754  -8.325
   90   1HB   CYS  10          HB2       CYS  10 -14.755  20.750  -8.758
   91   2HB   CYS  10          HB3       CYS  10 -13.464  19.550  -8.867
   92    HG   CYS  10           HG       CYS  10 -13.771  18.385  -6.698
   93    H    THR  11           H        THR  11 -14.940  22.892  -8.037
   94    HA   THR  11           HA       THR  11 -14.670  24.482  -5.703
   95    HB   THR  11           HB       THR  11 -16.994  25.324  -6.562
   96    HG1  THR  11           HG1      THR  11 -17.338  24.827  -8.704
   97   1HG2  THR  11          HG21      THR  11 -15.863  26.732  -8.151
   98   2HG2  THR  11          HG22      THR  11 -14.735  26.420  -6.820
   99   3HG2  THR  11          HG23      THR  11 -14.552  25.562  -8.362
  100    H    GLY  12           H        GLY  12 -16.028  21.375  -5.878
  101   1HA   GLY  12          HA1       GLY  12 -16.812  21.548  -3.144
  102   2HA   GLY  12          HA2       GLY  12 -18.245  21.409  -4.184
  103    H    ASN  13           H        ASN  13 -15.659  19.768  -2.727
  104    HA   ASN  13           HA       ASN  13 -14.680  17.799  -4.356
  105   1HB   ASN  13          HB2       ASN  13 -14.071  18.212  -1.981
  106   2HB   ASN  13          HB3       ASN  13 -15.588  17.519  -1.452
  107   1HD2  ASN  13          HD22      ASN  13 -13.136  16.641  -0.543
  108   2HD2  ASN  13          HD21      ASN  13 -12.765  15.045  -1.163
  109    H    SER  14           H        SER  14 -17.673  17.695  -2.542
  110    HA   SER  14           HA       SER  14 -18.537  15.286  -2.322
  111   1HB   SER  14          HB2       SER  14 -20.266  17.577  -3.305
  112   2HB   SER  14          HB3       SER  14 -20.743  16.280  -2.188
  113    HG   SER  14           HG       SER  14 -20.065  18.490  -1.389
  114    H    CYS  15           H        CYS  15 -18.656  16.860  -5.554
  115    HA   CYS  15           HA       CYS  15 -19.839  14.340  -6.612
  116   1HB   CYS  15          HB2       CYS  15 -20.588  15.809  -8.548
  117   2HB   CYS  15          HB3       CYS  15 -21.457  15.922  -7.023
  118    HG   CYS  15           HG       CYS  15 -21.390  18.301  -7.932
  119    H    ARG  16           H        ARG  16 -17.877  17.003  -8.130
  120    HA   ARG  16           HA       ARG  16 -17.004  15.219 -10.132
  121   1HB   ARG  16          HB2       ARG  16 -15.496  17.743  -9.286
  122   2HB   ARG  16          HB3       ARG  16 -15.212  16.796 -10.720
  123   1HG   ARG  16          HG2       ARG  16 -16.376  18.551 -11.521
  124   2HG   ARG  16          HG3       ARG  16 -17.622  17.306 -11.432
  125   1HD   ARG  16          HD2       ARG  16 -18.776  18.419  -9.762
  126   2HD   ARG  16          HD3       ARG  16 -17.298  19.070  -9.026
  127    HE   ARG  16           HE       ARG  16 -18.265  20.086 -11.652
  128   1HH1  ARG  16          HH21      ARG  16 -17.902  20.789  -8.180
  129   2HH1  ARG  16          HH22      ARG  16 -17.653  22.496  -8.427
  130   1HH2  ARG  16          HH11      ARG  16 -17.841  22.302 -11.951
  131   2HH2  ARG  16          HH12      ARG  16 -17.917  23.390 -10.593
  132    H    SER  17           H        SER  17 -15.074  16.238  -7.222
  133    HA   SER  17           HA       SER  17 -12.826  14.694  -7.994
  134   1HB   SER  17          HB2       SER  17 -13.658  15.580  -5.220
  135   2HB   SER  17          HB3       SER  17 -12.030  15.102  -5.742
  136    HG   SER  17           HG       SER  17 -12.310  17.363  -5.664
  137    H    GLN  18           H        GLN  18 -15.712  13.824  -6.052
  138    HA   GLN  18           HA       GLN  18 -14.705  11.294  -5.163
  139   1HB   GLN  18          HB2       GLN  18 -17.556  12.319  -5.638
  140   2HB   GLN  18          HB3       GLN  18 -17.180  10.792  -4.850
  141   1HG   GLN  18          HG2       GLN  18 -16.345  13.545  -3.852
  142   2HG   GLN  18          HG3       GLN  18 -17.660  12.578  -3.211
  143   1HE2  GLN  18          HE22      GLN  18 -14.749  13.524  -2.301
  144   2HE2  GLN  18          HE21      GLN  18 -14.234  12.096  -1.402
  145    H    MET  19           H        MET  19 -16.619  12.198  -8.089
  146    HA   MET  19           HA       MET  19 -16.844   9.500  -9.078
  147   1HB   MET  19          HB2       MET  19 -16.961  12.200 -10.511
  148   2HB   MET  19          HB3       MET  19 -17.362  10.646 -11.258
  149   1HG   MET  19          HG2       MET  19 -19.214  10.299  -9.753
  150   2HG   MET  19          HG3       MET  19 -18.749  11.686  -8.775
  151   1HE   MET  19          HE1       MET  19 -20.671  12.027 -12.985
  152   2HE   MET  19          HE2       MET  19 -18.973  11.545 -12.798
  153   3HE   MET  19          HE3       MET  19 -20.270  10.496 -12.176
  154    H    ALA  20           H        ALA  20 -14.513  12.165  -9.814
  155    HA   ALA  20           HA       ALA  20 -12.964  10.774 -11.702
  156   1HB   ALA  20          HB1       ALA  20 -11.984  12.816  -9.660
  157   2HB   ALA  20          HB2       ALA  20 -11.257  12.426 -11.233
  158   3HB   ALA  20          HB3       ALA  20 -12.832  13.230 -11.164
  159    H    GLU  21           H        GLU  21 -12.651  10.870  -8.122
  160    HA   GLU  21           HA       GLU  21 -10.290   9.350  -7.940
  161   1HB   GLU  21          HB2       GLU  21 -11.067  10.593  -6.058
  162   2HB   GLU  21          HB3       GLU  21 -12.609   9.720  -6.005
  163   1HG   GLU  21          HG2       GLU  21 -11.531   7.676  -5.384
  164   2HG   GLU  21          HG3       GLU  21  -9.925   8.348  -5.625
  165    H    GLY  22           H        GLY  22 -13.720   8.233  -8.011
  166   1HA   GLY  22          HA1       GLY  22 -13.251   5.502  -7.658
  167   2HA   GLY  22          HA2       GLY  22 -14.594   6.202  -8.565
  168    H    TRP  23           H        TRP  23 -13.279   7.343 -10.835
  169    HA   TRP  23           HA       TRP  23 -12.705   4.924 -12.346
  170   1HB   TRP  23          HB2       TRP  23 -12.252   7.851 -13.059
  171   2HB   TRP  23          HB3       TRP  23 -12.002   6.506 -14.155
  172    HD1  TRP  23           HD1      TRP  23 -14.706   8.613 -12.617
  173    HE1  TRP  23           HE1      TRP  23 -16.889   8.294 -13.852
  174    HE3  TRP  23           HE3      TRP  23 -13.418   4.579 -15.502
  175    HZ2  TRP  23           HZ2      TRP  23 -17.975   6.518 -15.857
  176    HZ3  TRP  23           HZ3      TRP  23 -15.037   3.660 -17.143
  177    HH2  TRP  23           HH2      TRP  23 -17.317   4.664 -17.345
  178    H    ALA  24           H        ALA  24 -10.628   7.485 -10.922
  179    HA   ALA  24           HA       ALA  24  -8.297   6.749 -12.295
  180   1HB   ALA  24          HB1       ALA  24  -7.121   8.051 -10.548
  181   2HB   ALA  24          HB2       ALA  24  -8.640   8.864 -10.971
  182   3HB   ALA  24          HB3       ALA  24  -8.532   7.920  -9.479
  183    H    LYS  25           H        LYS  25  -9.641   5.451  -9.273
  184    HA   LYS  25           HA       LYS  25  -7.441   3.853  -8.493
  185   1HB   LYS  25          HB2       LYS  25 -10.444   3.495  -8.164
  186   2HB   LYS  25          HB3       LYS  25  -9.274   2.388  -7.432
  187   1HG   LYS  25          HG2       LYS  25  -8.295   4.100  -6.082
  188   2HG   LYS  25          HG3       LYS  25  -9.134   5.389  -6.954
  189   1HD   LYS  25          HD2       LYS  25 -11.315   4.545  -6.153
  190   2HD   LYS  25          HD3       LYS  25 -10.484   3.272  -5.219
  191   1HE   LYS  25          HE2       LYS  25  -9.318   4.945  -3.873
  192   2HE   LYS  25          HE3       LYS  25  -9.888   6.241  -4.931
  193   1HZ   LYS  25          HZ1       LYS  25 -11.248   6.323  -3.082
  194   2HZ   LYS  25          HZ2       LYS  25 -12.187   5.631  -4.211
  195   3HZ   LYS  25          HZ3       LYS  25 -11.516   4.682  -3.030
  196    H    GLN  26           H        GLN  26  -9.833   3.290 -11.063
  197    HA   GLN  26           HA       GLN  26  -9.097   0.499 -11.445
  198   1HB   GLN  26          HB2       GLN  26 -10.331   2.393 -13.459
  199   2HB   GLN  26          HB3       GLN  26 -10.251   0.642 -13.546
  200   1HG   GLN  26          HG2       GLN  26 -11.749   0.524 -11.519
  201   2HG   GLN  26          HG3       GLN  26 -11.928   2.294 -11.613
  202   1HE2  GLN  26          HE22      GLN  26 -12.135   2.929 -14.172
  203   2HE2  GLN  26          HE21      GLN  26 -13.481   2.121 -14.962
  204    H    TYR  27           H        TYR  27  -8.530   3.488 -13.298
  205    HA   TYR  27           HA       TYR  27  -6.821   2.202 -15.179
  206   1HB   TYR  27          HB2       TYR  27  -7.271   5.154 -14.605
  207   2HB   TYR  27          HB3       TYR  27  -6.379   4.540 -15.988
  208    HD1  TYR  27           HD1      TYR  27  -7.648   2.645 -17.413
  209    HD2  TYR  27           HD2      TYR  27  -9.565   5.654 -14.983
  210    HE1  TYR  27           HE1      TYR  27  -9.705   2.427 -18.770
  211    HE2  TYR  27           HE2      TYR  27 -11.578   5.519 -16.399
  212    HH   TYR  27           HH       TYR  27 -12.620   4.452 -18.205
  213    H    LEU  28           H        LEU  28  -5.964   4.196 -12.317
  214    HA   LEU  28           HA       LEU  28  -3.197   4.403 -13.267
  215   1HB   LEU  28          HB2       LEU  28  -4.518   5.385 -10.711
  216   2HB   LEU  28          HB3       LEU  28  -2.904   5.781 -11.252
  217    HG   LEU  28           HG       LEU  28  -5.489   6.591 -12.615
  218   1HD1  LEU  28          HD11      LEU  28  -4.847   7.823 -10.578
  219   2HD1  LEU  28          HD12      LEU  28  -3.270   8.208 -11.300
  220   3HD1  LEU  28          HD13      LEU  28  -4.758   8.844 -12.027
  221   1HD2  LEU  28          HD21      LEU  28  -4.068   7.916 -14.177
  222   2HD2  LEU  28          HD22      LEU  28  -2.626   7.107 -13.527
  223   3HD2  LEU  28          HD23      LEU  28  -3.866   6.179 -14.396
  224    H    GLY  29           H        GLY  29  -4.870   2.755 -10.605
  225   1HA   GLY  29          HA1       GLY  29  -4.378   0.691  -9.705
  226   2HA   GLY  29          HA2       GLY  29  -2.930   0.603 -10.706
  227    H    ASP  30           H        ASP  30  -2.298  -0.414  -8.606
  228    HA   ASP  30           HA       ASP  30  -2.093   0.905  -6.143
  229   1HB   ASP  30          HB2       ASP  30  -2.071  -1.532  -6.503
  230   2HB   ASP  30          HB3       ASP  30  -0.482  -1.411  -7.267
  231    H    GLU  31           H        GLU  31  -0.028   1.233  -8.890
  232    HA   GLU  31           HA       GLU  31   2.384   2.178  -7.682
  233   1HB   GLU  31          HB2       GLU  31   1.924   1.459 -10.105
  234   2HB   GLU  31          HB3       GLU  31   1.088   2.991 -10.329
  235   1HG   GLU  31          HG2       GLU  31   3.268   4.146  -9.699
  236   2HG   GLU  31          HG3       GLU  31   4.038   2.562  -9.712
  237    H    TRP  32           H        TRP  32  -0.779   3.497  -7.518
  238    HA   TRP  32           HA       TRP  32   0.316   6.152  -6.755
  239   1HB   TRP  32          HB2       TRP  32  -2.302   5.677  -8.202
  240   2HB   TRP  32          HB3       TRP  32  -1.600   7.218  -7.768
  241    HD1  TRP  32           HD1      TRP  32  -0.749   4.250 -10.084
  242    HE1  TRP  32           HE1      TRP  32  -0.164   5.167 -12.393
  243    HE3  TRP  32           HE3      TRP  32  -0.762   9.252  -8.989
  244    HZ2  TRP  32           HZ2      TRP  32   0.023   7.711 -13.663
  245    HZ3  TRP  32           HZ3      TRP  32  -0.479  10.910 -10.814
  246    HH2  TRP  32           HH2      TRP  32  -0.175  10.139 -13.157
  247    H    LYS  33           H        LYS  33  -1.209   7.360  -5.399
  248    HA   LYS  33           HA       LYS  33  -3.333   5.807  -4.047
  249   1HB   LYS  33          HB2       LYS  33  -1.085   6.326  -2.715
  250   2HB   LYS  33          HB3       LYS  33  -1.788   7.937  -2.551
  251   1HG   LYS  33          HG2       LYS  33  -3.080   5.298  -1.698
  252   2HG   LYS  33          HG3       LYS  33  -2.155   6.344  -0.642
  253   1HD   LYS  33          HD2       LYS  33  -3.977   7.439  -0.076
  254   2HD   LYS  33          HD3       LYS  33  -4.159   8.046  -1.717
  255   1HE   LYS  33          HE2       LYS  33  -5.496   6.012  -2.306
  256   2HE   LYS  33          HE3       LYS  33  -5.233   5.375  -0.675
  257   1HZ   LYS  33          HZ1       LYS  33  -7.378   6.435  -0.825
  258   2HZ   LYS  33          HZ2       LYS  33  -6.450   7.307   0.191
  259   3HZ   LYS  33          HZ3       LYS  33  -6.727   7.847  -1.339
  260    H    VAL  34           H        VAL  34  -5.193   7.042  -3.918
  261    HA   VAL  34           HA       VAL  34  -5.167   9.514  -5.568
  262    HB   VAL  34           HB       VAL  34  -7.442   7.526  -5.229
  263   1HG1  VAL  34          HG11      VAL  34  -6.845   9.528  -7.452
  264   2HG1  VAL  34          HG12      VAL  34  -8.262   8.469  -7.312
  265   3HG1  VAL  34          HG13      VAL  34  -8.021   9.771  -6.143
  266   1HG2  VAL  34          HG21      VAL  34  -5.668   6.177  -6.176
  267   2HG2  VAL  34          HG22      VAL  34  -6.807   6.570  -7.459
  268   3HG2  VAL  34          HG23      VAL  34  -5.265   7.445  -7.361
  269    H    TYR  35           H        TYR  35  -6.318  11.290  -4.840
  270    HA   TYR  35           HA       TYR  35  -7.950  11.026  -2.374
  271   1HB   TYR  35          HB2       TYR  35  -5.930  13.229  -2.914
  272   2HB   TYR  35          HB3       TYR  35  -6.993  13.124  -1.521
  273    HD1  TYR  35           HD1      TYR  35  -6.529  11.519   0.319
  274    HD2  TYR  35           HD2      TYR  35  -3.929  11.872  -3.104
  275    HE1  TYR  35           HE1      TYR  35  -4.755  10.303   1.544
  276    HE2  TYR  35           HE2      TYR  35  -2.168  10.693  -1.902
  277    HH   TYR  35           HH       TYR  35  -1.554   9.490   0.110
  278    H    SER  36           H        SER  36  -9.471  12.739  -2.178
  279    HA   SER  36           HA       SER  36  -9.972  14.428  -4.550
  280   1HB   SER  36          HB2       SER  36 -12.451  13.794  -4.038
  281   2HB   SER  36          HB3       SER  36 -11.453  12.640  -4.936
  282    HG   SER  36           HG       SER  36 -11.258  11.373  -3.190
  283    H    ALA  37           H        ALA  37 -10.068  16.514  -3.880
  284    HA   ALA  37           HA       ALA  37 -11.353  17.113  -1.280
  285   1HB   ALA  37          HB1       ALA  37  -8.837  18.449  -2.240
  286   2HB   ALA  37          HB2       ALA  37  -9.726  18.636  -0.700
  287   3HB   ALA  37          HB3       ALA  37  -8.896  17.123  -1.037
  288    H    GLY  38           H        GLY  38 -11.415  19.799  -1.396
  289   1HA   GLY  38          HA1       GLY  38 -11.930  20.886  -3.991
  290   2HA   GLY  38          HA2       GLY  38 -13.433  20.518  -3.140
  291    H    ILE  39           H        ILE  39 -13.078  23.053  -3.716
  292    HA   ILE  39           HA       ILE  39 -11.883  24.807  -1.818
  293    HB   ILE  39           HB       ILE  39 -14.318  24.874  -3.610
  294   1HG1  ILE  39          HG12      ILE  39 -13.211  26.773  -4.671
  295   2HG1  ILE  39          HG13      ILE  39 -11.944  26.765  -3.451
  296   1HG2  ILE  39          HG21      ILE  39 -14.788  27.232  -3.024
  297   2HG2  ILE  39          HG22      ILE  39 -15.194  26.107  -1.738
  298   3HG2  ILE  39          HG23      ILE  39 -13.702  27.082  -1.625
  299   1HD1  ILE  39          HD11      ILE  39 -11.213  25.812  -5.605
  300   2HD1  ILE  39          HD12      ILE  39 -11.111  24.598  -4.329
  301   3HD1  ILE  39          HD13      ILE  39 -12.453  24.566  -5.501
  302    H    GLU  40           H        GLU  40 -14.928  22.970  -1.810
  303    HA   GLU  40           HA       GLU  40 -14.852  22.862   1.107
  304   1HB   GLU  40          HB2       GLU  40 -17.146  23.513   1.415
  305   2HB   GLU  40          HB3       GLU  40 -16.268  24.815   0.615
  306   1HG   GLU  40          HG2       GLU  40 -17.213  23.996  -1.593
  307   2HG   GLU  40          HG3       GLU  40 -18.218  22.853  -0.699
  308    H    ALA  41           H        ALA  41 -16.853  21.358   1.718
  309    HA   ALA  41           HA       ALA  41 -17.538  19.292  -0.236
  310   1HB   ALA  41          HB1       ALA  41 -15.438  18.426   0.762
  311   2HB   ALA  41          HB2       ALA  41 -16.085  18.704   2.396
  312   3HB   ALA  41          HB3       ALA  41 -16.839  17.497   1.339
  313    H    HIS  42           H        HIS  42 -19.359  18.074   0.613
  314    HA   HIS  42           HA       HIS  42 -20.727  19.232   3.009
  315   1HB   HIS  42          HB2       HIS  42 -22.015  18.624   0.315
  316   2HB   HIS  42          HB3       HIS  42 -22.855  19.139   1.774
  317    HD1  HIS  42           HD1      HIS  42 -21.734  20.661  -1.304
  318    HD2  HIS  42           HD2      HIS  42 -21.646  21.671   2.783
  319    HE1  HIS  42           HE1      HIS  42 -21.442  23.184  -1.197
  320    H    GLY  43           H        GLY  43 -20.212  16.457   0.795
  321   1HA   GLY  43          HA1       GLY  43 -20.144  14.529   2.782
  322   2HA   GLY  43          HA2       GLY  43 -21.829  14.590   2.218
  323    H    LEU  44           H        LEU  44 -20.927  12.298   1.607
  324    HA   LEU  44           HA       LEU  44 -19.584  12.201  -1.010
  325   1HB   LEU  44          HB2       LEU  44 -19.330  10.372   0.684
  326   2HB   LEU  44          HB3       LEU  44 -21.074  10.104   0.642
  327    HG   LEU  44           HG       LEU  44 -20.844   9.604  -1.842
  328   1HD1  LEU  44          HD11      LEU  44 -18.702  10.647  -2.333
  329   2HD1  LEU  44          HD12      LEU  44 -17.884   9.610  -1.149
  330   3HD1  LEU  44          HD13      LEU  44 -18.579   8.912  -2.630
  331   1HD2  LEU  44          HD21      LEU  44 -21.121   7.803  -0.244
  332   2HD2  LEU  44          HD22      LEU  44 -19.883   7.318  -1.419
  333   3HD2  LEU  44          HD23      LEU  44 -19.408   7.861   0.196
  334    H    ASN  45           H        ASN  45 -20.834  13.178  -2.636
  335    HA   ASN  45           HA       ASN  45 -23.596  13.692  -2.314
  336   1HB   ASN  45          HB2       ASN  45 -22.012  14.970  -3.738
  337   2HB   ASN  45          HB3       ASN  45 -22.028  13.656  -4.922
  338   1HD2  ASN  45          HD22      ASN  45 -22.974  16.598  -4.988
  339   2HD2  ASN  45          HD21      ASN  45 -24.616  16.469  -5.567
  340    HA   PRO  46           HA       PRO  46 -25.224   9.594  -3.384
  341   1HB   PRO  46          HB2       PRO  46 -27.634  11.257  -4.140
  342   2HB   PRO  46          HB3       PRO  46 -27.571   9.716  -3.228
  343   1HG   PRO  46          HG2       PRO  46 -27.872  12.065  -1.912
  344   2HG   PRO  46          HG3       PRO  46 -26.743  10.823  -1.277
  345   1HD   PRO  46          HD2       PRO  46 -26.093  13.301  -2.888
  346   2HD   PRO  46          HD3       PRO  46 -25.263  12.629  -1.448
  347    H    ASN  47           H        ASN  47 -25.498  12.408  -5.618
  348    HA   ASN  47           HA       ASN  47 -26.047  10.872  -7.974
  349   1HB   ASN  47          HB2       ASN  47 -26.199  12.923  -8.840
  350   2HB   ASN  47          HB3       ASN  47 -25.598  13.653  -7.383
  351   1HD2  ASN  47          HD22      ASN  47 -24.796  12.704 -10.701
  352   2HD2  ASN  47          HD21      ASN  47 -23.173  13.355 -10.692
  353    H    ALA  48           H        ALA  48 -22.991  11.736  -6.327
  354    HA   ALA  48           HA       ALA  48 -21.326  10.738  -8.450
  355   1HB   ALA  48          HB1       ALA  48 -20.688  11.129  -5.481
  356   2HB   ALA  48          HB2       ALA  48 -19.515  10.869  -6.781
  357   3HB   ALA  48          HB3       ALA  48 -20.497  12.342  -6.766
  358    H    VAL  49           H        VAL  49 -22.709   9.357  -5.422
  359    HA   VAL  49           HA       VAL  49 -21.335   6.876  -5.658
  360    HB   VAL  49           HB       VAL  49 -24.041   7.252  -4.327
  361   1HG1  VAL  49          HG11      VAL  49 -23.386   4.900  -4.669
  362   2HG1  VAL  49          HG12      VAL  49 -21.771   5.220  -4.013
  363   3HG1  VAL  49          HG13      VAL  49 -23.206   5.319  -2.965
  364   1HG2  VAL  49          HG21      VAL  49 -21.219   7.680  -3.288
  365   2HG2  VAL  49          HG22      VAL  49 -22.526   8.879  -3.356
  366   3HG2  VAL  49          HG23      VAL  49 -22.658   7.519  -2.245
  367    H    LYS  50           H        LYS  50 -24.712   7.798  -6.737
  368    HA   LYS  50           HA       LYS  50 -25.081   5.174  -7.769
  369   1HB   LYS  50          HB2       LYS  50 -26.905   6.793  -7.140
  370   2HB   LYS  50          HB3       LYS  50 -26.606   7.647  -8.664
  371   1HG   LYS  50          HG2       LYS  50 -27.110   5.554  -9.918
  372   2HG   LYS  50          HG3       LYS  50 -27.326   4.679  -8.396
  373   1HD   LYS  50          HD2       LYS  50 -29.280   6.047  -7.838
  374   2HD   LYS  50          HD3       LYS  50 -28.997   7.078  -9.241
  375   1HE   LYS  50          HE2       LYS  50 -30.807   5.592  -9.744
  376   2HE   LYS  50          HE3       LYS  50 -29.433   5.184 -10.771
  377   1HZ   LYS  50          HZ1       LYS  50 -29.055   3.216  -9.504
  378   2HZ   LYS  50          HZ2       LYS  50 -30.059   3.702  -8.281
  379   3HZ   LYS  50          HZ3       LYS  50 -30.656   3.285  -9.734
  380    H    ALA  51           H        ALA  51 -23.924   8.185  -9.390
  381    HA   ALA  51           HA       ALA  51 -23.975   7.170 -12.007
  382   1HB   ALA  51          HB1       ALA  51 -21.969   9.121 -10.770
  383   2HB   ALA  51          HB2       ALA  51 -22.279   8.912 -12.506
  384   3HB   ALA  51          HB3       ALA  51 -23.555   9.560 -11.454
  385    H    MET  52           H        MET  52 -21.419   6.788  -9.498
  386    HA   MET  52           HA       MET  52 -19.694   5.323 -11.332
  387   1HB   MET  52          HB2       MET  52 -19.669   5.819  -8.331
  388   2HB   MET  52          HB3       MET  52 -18.370   5.047  -9.234
  389   1HG   MET  52          HG2       MET  52 -19.355   7.906  -9.544
  390   2HG   MET  52          HG3       MET  52 -17.823   7.384  -8.861
  391   1HE   MET  52          HE1       MET  52 -16.853   5.202 -10.703
  392   2HE   MET  52          HE2       MET  52 -15.939   5.985 -11.974
  393   3HE   MET  52          HE3       MET  52 -15.759   6.544 -10.301
  394    H    LYS  53           H        LYS  53 -21.954   4.516  -8.674
  395    HA   LYS  53           HA       LYS  53 -21.172   1.818  -8.402
  396   1HB   LYS  53          HB2       LYS  53 -22.444   3.259  -6.761
  397   2HB   LYS  53          HB3       LYS  53 -23.890   3.029  -7.759
  398   1HG   LYS  53          HG2       LYS  53 -23.618   0.520  -7.315
  399   2HG   LYS  53          HG3       LYS  53 -22.297   0.944  -6.205
  400   1HD   LYS  53          HD2       LYS  53 -23.998   2.506  -5.022
  401   2HD   LYS  53          HD3       LYS  53 -25.229   1.756  -6.041
  402   1HE   LYS  53          HE2       LYS  53 -25.429   0.485  -4.136
  403   2HE   LYS  53          HE3       LYS  53 -24.317  -0.512  -5.079
  404   1HZ   LYS  53          HZ1       LYS  53 -23.563  -0.252  -2.799
  405   2HZ   LYS  53          HZ2       LYS  53 -22.481   0.509  -3.765
  406   3HZ   LYS  53          HZ3       LYS  53 -23.554   1.378  -2.913
  407    H    GLU  54           H        GLU  54 -23.646   3.345 -10.474
  408    HA   GLU  54           HA       GLU  54 -24.731   0.907 -11.467
  409   1HB   GLU  54          HB2       GLU  54 -24.674   3.726 -12.590
  410   2HB   GLU  54          HB3       GLU  54 -25.532   2.408 -13.382
  411   1HG   GLU  54          HG2       GLU  54 -26.048   3.377 -10.546
  412   2HG   GLU  54          HG3       GLU  54 -27.001   3.811 -11.964
  413    H    VAL  55           H        VAL  55 -21.652   2.438 -12.122
  414    HA   VAL  55           HA       VAL  55 -21.247   0.902 -14.620
  415    HB   VAL  55           HB       VAL  55 -19.533   2.970 -13.172
  416   1HG1  VAL  55          HG11      VAL  55 -18.257   3.139 -15.299
  417   2HG1  VAL  55          HG12      VAL  55 -18.022   1.598 -14.495
  418   3HG1  VAL  55          HG13      VAL  55 -19.106   1.698 -15.905
  419   1HG2  VAL  55          HG21      VAL  55 -21.213   3.182 -15.713
  420   2HG2  VAL  55          HG22      VAL  55 -21.598   3.950 -14.164
  421   3HG2  VAL  55          HG23      VAL  55 -20.155   4.441 -15.042
  422    H    GLY  56           H        GLY  56 -21.204   0.250 -11.335
  423   1HA   GLY  56          HA1       GLY  56 -20.465  -1.651 -10.281
  424   2HA   GLY  56          HA2       GLY  56 -19.408  -2.047 -11.645
  425    H    ILE  57           H        ILE  57 -19.276   1.227 -10.289
  426    HA   ILE  57           HA       ILE  57 -16.689   0.581  -8.950
  427    HB   ILE  57           HB       ILE  57 -17.527   3.148 -10.332
  428   1HG1  ILE  57          HG12      ILE  57 -15.530   1.002 -11.177
  429   2HG1  ILE  57          HG13      ILE  57 -17.046   1.413 -11.984
  430   1HG2  ILE  57          HG21      ILE  57 -16.040   3.453  -8.319
  431   2HG2  ILE  57          HG22      ILE  57 -14.872   2.323  -9.029
  432   3HG2  ILE  57          HG23      ILE  57 -15.203   3.881  -9.802
  433   1HD1  ILE  57          HD11      ILE  57 -14.531   3.109 -11.857
  434   2HD1  ILE  57          HD12      ILE  57 -15.343   2.412 -13.268
  435   3HD1  ILE  57          HD13      ILE  57 -16.121   3.730 -12.400
  436    H    ASP  58           H        ASP  58 -17.576   0.122  -7.015
  437    HA   ASP  58           HA       ASP  58 -19.823   1.608  -5.932
  438   1HB   ASP  58          HB2       ASP  58 -19.640  -0.799  -5.605
  439   2HB   ASP  58          HB3       ASP  58 -18.098  -0.603  -4.756
  440    H    ILE  59           H        ILE  59 -18.801   3.768  -5.922
  441    HA   ILE  59           HA       ILE  59 -16.602   4.223  -4.112
  442    HB   ILE  59           HB       ILE  59 -16.726   6.493  -4.634
  443   1HG1  ILE  59          HG12      ILE  59 -19.327   6.220  -6.151
  444   2HG1  ILE  59          HG13      ILE  59 -19.282   6.700  -4.457
  445   1HG2  ILE  59          HG21      ILE  59 -15.832   5.002  -6.380
  446   2HG2  ILE  59          HG22      ILE  59 -17.416   5.037  -7.189
  447   3HG2  ILE  59          HG23      ILE  59 -16.465   6.524  -7.022
  448   1HD1  ILE  59          HD11      ILE  59 -17.695   8.559  -5.056
  449   2HD1  ILE  59          HD12      ILE  59 -18.054   8.227  -6.765
  450   3HD1  ILE  59          HD13      ILE  59 -19.348   8.717  -5.650
  451    H    SER  60           H        SER  60 -19.628   3.319  -3.232
  452    HA   SER  60           HA       SER  60 -20.615   5.220  -1.496
  453   1HB   SER  60          HB2       SER  60 -20.611   2.234  -0.928
  454   2HB   SER  60          HB3       SER  60 -21.817   3.436  -0.440
  455    HG   SER  60           HG       SER  60 -21.361   2.179  -2.899
  456    H    ASN  61           H        ASN  61 -17.775   3.190  -1.052
  457    HA   ASN  61           HA       ASN  61 -17.554   3.511   1.804
  458   1HB   ASN  61          HB2       ASN  61 -16.667   1.551   0.550
  459   2HB   ASN  61          HB3       ASN  61 -15.518   2.609  -0.273
  460   1HD2  ASN  61          HD22      ASN  61 -13.467   2.434   0.633
  461   2HD2  ASN  61          HD21      ASN  61 -13.147   2.171   2.325
  462    H    GLN  62           H        GLN  62 -16.774   5.639  -0.850
  463    HA   GLN  62           HA       GLN  62 -14.417   6.833   0.286
  464   1HB   GLN  62          HB2       GLN  62 -16.298   7.842  -1.886
  465   2HB   GLN  62          HB3       GLN  62 -14.738   8.553  -1.433
  466   1HG   GLN  62          HG2       GLN  62 -13.592   6.454  -2.023
  467   2HG   GLN  62          HG3       GLN  62 -15.127   5.765  -2.559
  468   1HE2  GLN  62          HE22      GLN  62 -15.134   9.089  -3.518
  469   2HE2  GLN  62          HE21      GLN  62 -14.645   8.767  -5.177
  470    H    THR  63           H        THR  63 -14.495   9.297   0.695
  471    HA   THR  63           HA       THR  63 -16.954  10.383   1.746
  472    HB   THR  63           HB       THR  63 -15.661  11.138   3.863
  473    HG1  THR  63           HG1      THR  63 -14.013   9.828   4.534
  474   1HG2  THR  63          HG21      THR  63 -16.414   9.275   5.168
  475   2HG2  THR  63          HG22      THR  63 -17.565   9.482   3.837
  476   3HG2  THR  63          HG23      THR  63 -16.362   8.178   3.773
  477    H    SER  64           H        SER  64 -16.629  12.758   2.237
  478    HA   SER  64           HA       SER  64 -14.705  13.894   0.285
  479   1HB   SER  64          HB2       SER  64 -17.362  14.971   1.289
  480   2HB   SER  64          HB3       SER  64 -16.366  15.642  -0.019
  481    HG   SER  64           HG       SER  64 -18.248  14.185  -0.506
  482    H    ASP  65           H        ASP  65 -13.665  15.820   0.807
  483    HA   ASP  65           HA       ASP  65 -13.636  16.923   3.534
  484   1HB   ASP  65          HB2       ASP  65 -11.944  14.979   3.369
  485   2HB   ASP  65          HB3       ASP  65 -11.108  15.948   2.139
  486    H    ILE  66           H        ILE  66 -12.300  18.985   3.522
  487    HA   ILE  66           HA       ILE  66 -12.411  20.290   0.865
  488    HB   ILE  66           HB       ILE  66 -12.468  22.320   1.953
  489   1HG1  ILE  66          HG12      ILE  66 -11.567  20.953   4.516
  490   2HG1  ILE  66          HG13      ILE  66 -10.665  22.134   3.543
  491   1HG2  ILE  66          HG21      ILE  66 -14.500  20.749   2.232
  492   2HG2  ILE  66          HG22      ILE  66 -14.043  20.617   3.928
  493   3HG2  ILE  66          HG23      ILE  66 -14.468  22.199   3.253
  494   1HD1  ILE  66          HD11      ILE  66 -13.148  22.615   5.206
  495   2HD1  ILE  66          HD12      ILE  66 -11.537  23.328   5.410
  496   3HD1  ILE  66          HD13      ILE  66 -12.545  23.787   4.008
  497    H    ILE  67           H        ILE  67 -10.453  21.693   0.374
  498    HA   ILE  67           HA       ILE  67  -8.344  19.964   0.020
  499    HB   ILE  67           HB       ILE  67  -8.893  21.732  -1.457
  500   1HG1  ILE  67          HG12      ILE  67  -6.561  20.688  -1.319
  501   2HG1  ILE  67          HG13      ILE  67  -6.822  22.083  -2.335
  502   1HG2  ILE  67          HG21      ILE  67  -7.836  23.742   0.552
  503   2HG2  ILE  67          HG22      ILE  67  -8.221  24.075  -1.147
  504   3HG2  ILE  67          HG23      ILE  67  -9.510  23.572  -0.046
  505   1HD1  ILE  67          HD11      ILE  67  -4.685  22.172  -1.030
  506   2HD1  ILE  67          HD12      ILE  67  -5.739  23.581  -0.820
  507   3HD1  ILE  67          HD13      ILE  67  -5.622  22.365   0.451
  508    H    ASP  68           H        ASP  68  -6.398  19.602   0.740
  509    HA   ASP  68           HA       ASP  68  -5.539  20.750   3.340
  510   1HB   ASP  68          HB2       ASP  68  -6.537  18.459   3.645
  511   2HB   ASP  68          HB3       ASP  68  -5.276  17.815   2.570
  512    H    SER  69           H        SER  69  -3.809  21.941   2.722
  513    HA   SER  69           HA       SER  69  -2.196  21.469   0.450
  514   1HB   SER  69          HB2       SER  69  -0.631  23.062   1.825
  515   2HB   SER  69          HB3       SER  69  -2.171  23.653   1.190
  516    HG   SER  69           HG       SER  69  -1.855  24.227   3.390
  517    H    ASP  70           H        ASP  70  -2.153  19.927   3.634
  518    HA   ASP  70           HA       ASP  70   0.617  19.305   3.711
  519   1HB   ASP  70          HB2       ASP  70  -0.907  19.155   5.659
  520   2HB   ASP  70          HB3       ASP  70  -1.700  17.761   4.907
  521    H    ILE  71           H        ILE  71  -1.970  17.941   1.768
  522    HA   ILE  71           HA       ILE  71  -0.117  15.732   0.965
  523    HB   ILE  71           HB       ILE  71  -3.125  15.844   0.760
  524   1HG1  ILE  71          HG12      ILE  71  -1.210  13.970   2.211
  525   2HG1  ILE  71          HG13      ILE  71  -2.050  15.316   3.000
  526   1HG2  ILE  71          HG21      ILE  71  -2.950  13.591  -0.262
  527   2HG2  ILE  71          HG22      ILE  71  -2.065  14.738  -1.262
  528   3HG2  ILE  71          HG23      ILE  71  -1.176  13.665  -0.176
  529   1HD1  ILE  71          HD11      ILE  71  -3.345  12.839   1.829
  530   2HD1  ILE  71          HD12      ILE  71  -3.237  13.318   3.528
  531   3HD1  ILE  71          HD13      ILE  71  -4.240  14.268   2.410
  532    H    LEU  72           H        LEU  72  -2.418  18.213  -0.303
  533    HA   LEU  72           HA       LEU  72  -1.786  17.878  -2.979
  534   1HB   LEU  72          HB2       LEU  72  -3.608  19.136  -2.512
  535   2HB   LEU  72          HB3       LEU  72  -2.840  20.119  -1.301
  536    HG   LEU  72           HG       LEU  72  -1.833  20.492  -4.108
  537   1HD1  LEU  72          HD11      LEU  72  -4.580  21.482  -3.262
  538   2HD1  LEU  72          HD12      LEU  72  -3.698  21.956  -4.730
  539   3HD1  LEU  72          HD13      LEU  72  -4.235  20.286  -4.524
  540   1HD2  LEU  72          HD21      LEU  72  -2.027  22.925  -3.282
  541   2HD2  LEU  72          HD22      LEU  72  -2.525  22.274  -1.728
  542   3HD2  LEU  72          HD23      LEU  72  -0.913  21.905  -2.361
  543    H    ASN  73           H        ASN  73   0.141  19.873  -0.627
  544    HA   ASN  73           HA       ASN  73   1.906  20.803  -2.666
  545   1HB   ASN  73          HB2       ASN  73   3.080  21.874  -1.040
  546   2HB   ASN  73          HB3       ASN  73   1.589  21.633  -0.142
  547   1HD2  ASN  73          HD22      ASN  73   1.547  19.701   1.346
  548   2HD2  ASN  73          HD21      ASN  73   3.054  19.104   2.023
  549    H    ASN  74           H        ASN  74   1.646  17.661  -1.358
  550    HA   ASN  74           HA       ASN  74   4.511  16.985  -1.920
  551   1HB   ASN  74          HB2       ASN  74   2.368  15.633  -0.218
  552   2HB   ASN  74          HB3       ASN  74   3.858  14.835  -0.678
  553   1HD2  ASN  74          HD22      ASN  74   2.469  16.618   1.785
  554   2HD2  ASN  74          HD21      ASN  74   3.961  17.079   2.574
  555    H    ALA  75           H        ALA  75   1.421  16.919  -3.346
  556    HA   ALA  75           HA       ALA  75   1.337  14.240  -4.183
  557   1HB   ALA  75          HB1       ALA  75  -0.476  15.060  -5.714
  558   2HB   ALA  75          HB2       ALA  75  -0.655  15.619  -4.039
  559   3HB   ALA  75          HB3       ALA  75  -0.035  16.726  -5.278
  560    H    ASP  76           H        ASP  76   1.566  13.389  -6.444
  561    HA   ASP  76           HA       ASP  76   3.980  14.501  -7.774
  562   1HB   ASP  76          HB2       ASP  76   3.726  12.034  -7.580
  563   2HB   ASP  76          HB3       ASP  76   2.224  12.124  -8.508
  564    H    LEU  77           H        LEU  77   0.448  14.244  -8.057
  565    HA   LEU  77           HA       LEU  77   0.457  16.271 -10.202
  566   1HB   LEU  77          HB2       LEU  77   0.383  14.209 -11.375
  567   2HB   LEU  77          HB3       LEU  77  -0.810  13.528 -10.252
  568    HG   LEU  77           HG       LEU  77  -2.488  15.223 -11.129
  569   1HD1  LEU  77          HD11      LEU  77  -0.397  15.596 -13.320
  570   2HD1  LEU  77          HD12      LEU  77  -2.030  16.257 -13.315
  571   3HD1  LEU  77          HD13      LEU  77  -0.862  16.844 -12.135
  572   1HD2  LEU  77          HD21      LEU  77  -1.298  13.253 -13.117
  573   2HD2  LEU  77          HD22      LEU  77  -2.475  12.880 -11.850
  574   3HD2  LEU  77          HD23      LEU  77  -2.933  13.948 -13.184
  575    H    VAL  78           H        VAL  78  -1.154  17.630 -10.089
  576    HA   VAL  78           HA       VAL  78  -3.462  17.162  -8.263
  577    HB   VAL  78           HB       VAL  78  -1.758  19.631  -8.707
  578   1HG1  VAL  78          HG11      VAL  78  -3.431  20.988  -7.481
  579   2HG1  VAL  78          HG12      VAL  78  -4.056  20.451  -9.043
  580   3HG1  VAL  78          HG13      VAL  78  -4.587  19.636  -7.550
  581   1HG2  VAL  78          HG21      VAL  78  -1.669  19.720  -6.309
  582   2HG2  VAL  78          HG22      VAL  78  -2.931  18.465  -6.138
  583   3HG2  VAL  78          HG23      VAL  78  -1.336  18.040  -6.766
  584    H    VAL  79           H        VAL  79  -5.386  17.372  -9.317
  585    HA   VAL  79           HA       VAL  79  -5.397  18.458 -12.073
  586    HB   VAL  79           HB       VAL  79  -7.186  16.489 -12.408
  587   1HG1  VAL  79          HG11      VAL  79  -5.392  15.277 -13.641
  588   2HG1  VAL  79          HG12      VAL  79  -5.545  17.005 -13.971
  589   3HG1  VAL  79          HG13      VAL  79  -4.221  16.415 -12.933
  590   1HG2  VAL  79          HG21      VAL  79  -6.572  15.377 -10.180
  591   2HG2  VAL  79          HG22      VAL  79  -6.306  14.348 -11.604
  592   3HG2  VAL  79          HG23      VAL  79  -4.935  15.126 -10.813
  593    H    THR  80           H        THR  80  -6.608  20.193 -11.905
  594    HA   THR  80           HA       THR  80  -8.752  20.263  -9.911
  595    HB   THR  80           HB       THR  80  -9.117  22.541 -10.587
  596    HG1  THR  80           HG1      THR  80  -8.788  22.805 -12.661
  597   1HG2  THR  80          HG21      THR  80  -6.841  23.487 -10.176
  598   2HG2  THR  80          HG22      THR  80  -7.274  22.194  -9.038
  599   3HG2  THR  80          HG23      THR  80  -6.129  21.898 -10.360
  600    H    LEU  81           H        LEU  81 -10.968  20.250 -10.527
  601    HA   LEU  81           HA       LEU  81 -11.448  18.988 -13.198
  602   1HB   LEU  81          HB2       LEU  81 -12.957  18.593 -10.609
  603   2HB   LEU  81          HB3       LEU  81 -13.272  17.774 -12.128
  604    HG   LEU  81           HG       LEU  81 -10.677  17.511 -10.526
  605   1HD1  LEU  81          HD11      LEU  81 -12.555  16.561  -9.324
  606   2HD1  LEU  81          HD12      LEU  81 -13.052  15.631 -10.766
  607   3HD1  LEU  81          HD13      LEU  81 -11.515  15.277  -9.951
  608   1HD2  LEU  81          HD21      LEU  81 -11.702  16.094 -13.022
  609   2HD2  LEU  81          HD22      LEU  81 -10.231  17.083 -12.867
  610   3HD2  LEU  81          HD23      LEU  81 -10.336  15.521 -12.057
  611    H    CYS  82           H        CYS  82 -11.804  21.971 -11.874
  612    HA   CYS  82           HA       CYS  82 -13.689  22.589 -13.896
  613   1HB   CYS  82          HB2       CYS  82 -15.358  23.744 -12.540
  614   2HB   CYS  82          HB3       CYS  82 -15.315  22.002 -12.230
  615    HG   CYS  82           HG       CYS  82 -15.753  23.554 -10.016
  616    H    GLY  83           H        GLY  83 -13.475  24.828 -14.482
  617   1HA   GLY  83          HA1       GLY  83 -10.804  25.618 -14.348
  618   2HA   GLY  83          HA2       GLY  83 -12.141  26.615 -14.940
  619    H    ASP  84           H        ASP  84 -13.626  27.055 -12.618
  620    HA   ASP  84           HA       ASP  84 -12.225  29.252 -11.528
  621   1HB   ASP  84          HB2       ASP  84 -14.683  29.080 -11.623
  622   2HB   ASP  84          HB3       ASP  84 -14.650  27.792 -10.413
  623    H    ALA  85           H        ALA  85 -12.465  25.899 -10.384
  624    HA   ALA  85           HA       ALA  85 -11.676  26.385  -7.694
  625   1HB   ALA  85          HB1       ALA  85 -11.250  23.980  -7.613
  626   2HB   ALA  85          HB2       ALA  85 -12.758  24.298  -8.456
  627   3HB   ALA  85          HB3       ALA  85 -11.299  23.869  -9.383
  628    H    ALA  86           H        ALA  86  -9.783  26.179 -10.668
  629    HA   ALA  86           HA       ALA  86  -7.336  25.359  -9.474
  630   1HB   ALA  86          HB1       ALA  86  -7.881  25.230 -11.908
  631   2HB   ALA  86          HB2       ALA  86  -7.782  27.008 -11.994
  632   3HB   ALA  86          HB3       ALA  86  -6.335  26.055 -11.596
  633    H    ASP  87           H        ASP  87  -8.946  28.415  -9.362
  634    HA   ASP  87           HA       ASP  87  -6.736  30.136  -8.822
  635   1HB   ASP  87          HB2       ASP  87  -9.070  30.894  -9.303
  636   2HB   ASP  87          HB3       ASP  87  -9.586  30.187  -7.759
  637    H    LYS  88           H        LYS  88  -8.572  27.820  -6.864
  638    HA   LYS  88           HA       LYS  88  -7.808  28.976  -4.310
  639   1HB   LYS  88          HB2       LYS  88  -9.908  27.710  -4.624
  640   2HB   LYS  88          HB3       LYS  88  -8.981  26.263  -5.051
  641   1HG   LYS  88          HG2       LYS  88  -9.827  26.056  -2.840
  642   2HG   LYS  88          HG3       LYS  88  -8.074  26.127  -2.791
  643   1HD   LYS  88          HD2       LYS  88  -8.151  28.464  -2.014
  644   2HD   LYS  88          HD3       LYS  88  -9.923  28.494  -2.217
  645   1HE   LYS  88          HE2       LYS  88 -10.148  26.660  -0.585
  646   2HE   LYS  88          HE3       LYS  88  -8.393  26.592  -0.388
  647   1HZ   LYS  88          HZ1       LYS  88 -10.095  28.918   0.332
  648   2HZ   LYS  88          HZ2       LYS  88  -9.431  27.871   1.388
  649   3HZ   LYS  88          HZ3       LYS  88  -8.472  28.854   0.513
  650    H    CYS  89           H        CYS  89  -6.560  26.363  -6.336
  651    HA   CYS  89           HA       CYS  89  -5.236  24.775  -4.631
  652   1HB   CYS  89          HB2       CYS  89  -4.244  25.702  -7.334
  653   2HB   CYS  89          HB3       CYS  89  -3.674  24.253  -6.476
  654    HG   CYS  89           HG       CYS  89  -5.316  23.512  -8.348
  655    HA   PRO  90           HA       PRO  90  -2.199  27.731  -2.960
  656   1HB   PRO  90          HB2       PRO  90  -1.712  26.557  -0.572
  657   2HB   PRO  90          HB3       PRO  90  -3.267  27.343  -0.963
  658   1HG   PRO  90          HG2       PRO  90  -2.605  24.402  -1.069
  659   2HG   PRO  90          HG3       PRO  90  -4.036  25.189  -0.320
  660   1HD   PRO  90          HD2       PRO  90  -4.047  24.115  -2.866
  661   2HD   PRO  90          HD3       PRO  90  -5.079  25.479  -2.361
  662    H    MET  91           H        MET  91  -0.004  26.545  -1.452
  663    HA   MET  91           HA       MET  91   1.939  26.466  -3.309
  664   1HB   MET  91          HB2       MET  91   1.920  24.959  -0.659
  665   2HB   MET  91          HB3       MET  91   3.349  25.284  -1.638
  666   1HG   MET  91          HG2       MET  91   3.373  26.928   0.017
  667   2HG   MET  91          HG3       MET  91   2.847  27.753  -1.446
  668   1HE   MET  91          HE1       MET  91   1.068  29.772   1.398
  669   2HE   MET  91          HE2       MET  91   2.686  29.038   1.437
  670   3HE   MET  91          HE3       MET  91   2.113  29.851  -0.038
  671    H    THR  92           H        THR  92   2.108  25.297  -5.094
  672    HA   THR  92           HA       THR  92   2.108  22.336  -4.947
  673    HB   THR  92           HB       THR  92   1.034  22.513  -7.336
  674    HG1  THR  92           HG1      THR  92  -0.003  24.821  -6.005
  675   1HG2  THR  92          HG21      THR  92  -1.156  22.228  -6.410
  676   2HG2  THR  92          HG22      THR  92   0.034  21.420  -5.368
  677   3HG2  THR  92          HG23      THR  92  -0.640  22.980  -4.887
  678    HA   PRO  93           HA       PRO  93   6.002  24.348  -6.492
  679   1HB   PRO  93          HB2       PRO  93   7.785  22.693  -5.184
  680   2HB   PRO  93          HB3       PRO  93   7.007  24.111  -4.422
  681   1HG   PRO  93          HG2       PRO  93   6.152  21.204  -4.269
  682   2HG   PRO  93          HG3       PRO  93   6.362  22.367  -2.920
  683   1HD   PRO  93          HD2       PRO  93   3.932  21.871  -3.990
  684   2HD   PRO  93          HD3       PRO  93   4.386  23.527  -3.491
  685    HA   PRO  94           HA       PRO  94   6.763  21.922  -9.975
  686   1HB   PRO  94          HB2       PRO  94   9.626  21.430  -9.130
  687   2HB   PRO  94          HB3       PRO  94   9.000  21.886 -10.750
  688   1HG   PRO  94          HG2       PRO  94  10.018  23.796  -9.134
  689   2HG   PRO  94          HG3       PRO  94   8.474  24.104  -9.997
  690   1HD   PRO  94          HD2       PRO  94   8.899  23.312  -7.118
  691   2HD   PRO  94          HD3       PRO  94   7.746  24.489  -7.813
  692    H    HIS  95           H        HIS  95   7.767  20.123  -7.068
  693    HA   HIS  95           HA       HIS  95   7.936  17.501  -8.168
  694   1HB   HIS  95          HB2       HIS  95   8.464  18.088  -5.818
  695   2HB   HIS  95          HB3       HIS  95   6.767  18.460  -5.513
  696    HD1  HIS  95           HD1      HIS  95   5.043  16.153  -5.746
  697    HD2  HIS  95           HD2      HIS  95   9.223  15.627  -5.426
  698    HE1  HIS  95           HE1      HIS  95   5.411  13.757  -5.034
  699    H    VAL  96           H        VAL  96   5.198  19.583  -7.331
  700    HA   VAL  96           HA       VAL  96   3.169  17.580  -7.980
  701    HB   VAL  96           HB       VAL  96   2.668  20.482  -7.162
  702   1HG1  VAL  96          HG11      VAL  96   0.653  19.414  -6.194
  703   2HG1  VAL  96          HG12      VAL  96   0.785  19.166  -7.944
  704   3HG1  VAL  96          HG13      VAL  96   1.196  17.851  -6.824
  705   1HG2  VAL  96          HG21      VAL  96   3.254  18.310  -5.145
  706   2HG2  VAL  96          HG22      VAL  96   4.211  19.773  -5.435
  707   3HG2  VAL  96          HG23      VAL  96   2.561  19.902  -4.833
  708    H    LYS  97           H        LYS  97   3.141  17.324 -10.237
  709    HA   LYS  97           HA       LYS  97   3.239  19.720 -11.939
  710   1HB   LYS  97          HB2       LYS  97   3.072  18.303 -13.791
  711   2HB   LYS  97          HB3       LYS  97   4.163  17.528 -12.657
  712   1HG   LYS  97          HG2       LYS  97   1.729  16.324 -12.046
  713   2HG   LYS  97          HG3       LYS  97   1.585  16.626 -13.784
  714   1HD   LYS  97          HD2       LYS  97   3.905  15.560 -14.039
  715   2HD   LYS  97          HD3       LYS  97   3.815  15.145 -12.317
  716   1HE   LYS  97          HE2       LYS  97   1.579  13.968 -12.922
  717   2HE   LYS  97          HE3       LYS  97   2.083  14.148 -14.611
  718   1HZ   LYS  97          HZ1       LYS  97   2.798  12.013 -13.770
  719   2HZ   LYS  97          HZ2       LYS  97   4.151  12.915 -13.927
  720   3HZ   LYS  97          HZ3       LYS  97   3.470  12.669 -12.440
  721    H    ARG  98           H        ARG  98   1.312  20.214 -13.304
  722    HA   ARG  98           HA       ARG  98  -1.239  19.739 -11.853
  723   1HB   ARG  98          HB2       ARG  98  -0.025  22.417 -12.624
  724   2HB   ARG  98          HB3       ARG  98  -1.761  22.193 -12.372
  725   1HG   ARG  98          HG2       ARG  98  -1.396  21.408 -10.082
  726   2HG   ARG  98          HG3       ARG  98   0.357  21.516 -10.288
  727   1HD   ARG  98          HD2       ARG  98  -0.416  23.394  -9.024
  728   2HD   ARG  98          HD3       ARG  98   0.180  23.968 -10.584
  729    HE   ARG  98           HE       ARG  98  -2.418  23.777 -11.163
  730   1HH1  ARG  98          HH21      ARG  98  -0.968  25.112  -8.180
  731   2HH1  ARG  98          HH22      ARG  98  -2.136  26.375  -8.041
  732   1HH2  ARG  98          HH11      ARG  98  -3.981  25.291 -10.916
  733   2HH2  ARG  98          HH12      ARG  98  -4.025  26.413  -9.588
  734    H    GLU  99           H        GLU  99  -3.049  19.781 -13.059
  735    HA   GLU  99           HA       GLU  99  -3.001  20.367 -15.931
  736   1HB   GLU  99          HB2       GLU  99  -3.174  17.665 -14.718
  737   2HB   GLU  99          HB3       GLU  99  -4.626  18.073 -15.632
  738   1HG   GLU  99          HG2       GLU  99  -1.817  18.187 -16.771
  739   2HG   GLU  99          HG3       GLU  99  -2.921  16.806 -16.893
  740    H    HIS 100           H        HIS 100  -5.194  21.048 -16.531
  741    HA   HIS 100           HA       HIS 100  -6.991  21.510 -14.205
  742   1HB   HIS 100          HB2       HIS 100  -6.191  23.597 -16.264
  743   2HB   HIS 100          HB3       HIS 100  -7.305  23.813 -14.920
  744    HD1  HIS 100           HD1      HIS 100  -4.247  25.200 -15.606
  745    HD2  HIS 100           HD2      HIS 100  -5.525  22.681 -12.495
  746    HE1  HIS 100           HE1      HIS 100  -2.661  25.602 -13.661
  747    H    TRP 101           H        TRP 101  -8.756  20.383 -14.682
  748    HA   TRP 101           HA       TRP 101  -9.728  20.235 -17.488
  749   1HB   TRP 101          HB2       TRP 101 -10.400  18.449 -15.133
  750   2HB   TRP 101          HB3       TRP 101 -10.858  18.228 -16.813
  751    HD1  TRP 101           HD1      TRP 101  -7.534  19.057 -17.460
  752    HE1  TRP 101           HE1      TRP 101  -5.901  17.168 -17.514
  753    HE3  TRP 101           HE3      TRP 101 -10.342  15.611 -14.940
  754    HZ2  TRP 101           HZ2      TRP 101  -5.693  14.503 -16.355
  755    HZ3  TRP 101           HZ3      TRP 101  -9.361  13.425 -14.345
  756    HH2  TRP 101           HH2      TRP 101  -7.037  12.846 -15.043
  757    H    GLY 102           H        GLY 102 -12.274  20.078 -17.492
  758   1HA   GLY 102          HA1       GLY 102 -13.327  22.323 -15.810
  759   2HA   GLY 102          HA2       GLY 102 -13.337  22.397 -17.547
  760    H    PHE 103           H        PHE 103 -15.002  21.172 -14.733
  761    HA   PHE 103           HA       PHE 103 -17.199  20.323 -16.502
  762   1HB   PHE 103          HB2       PHE 103 -16.200  18.844 -14.036
  763   2HB   PHE 103          HB3       PHE 103 -17.657  18.446 -14.934
  764    HD1  PHE 103           HD1      PHE 103 -17.510  17.603 -17.296
  765    HD2  PHE 103           HD2      PHE 103 -13.990  18.177 -14.870
  766    HE1  PHE 103           HE1      PHE 103 -16.178  16.292 -18.909
  767    HE2  PHE 103           HE2      PHE 103 -12.653  16.884 -16.503
  768    HZ   PHE 103           HZ       PHE 103 -13.740  15.924 -18.524
  769    H    ASP 104           H        ASP 104 -19.233  20.788 -15.864
  770    HA   ASP 104           HA       ASP 104 -19.690  22.764 -13.780
  771   1HB   ASP 104          HB2       ASP 104 -21.008  22.564 -15.918
  772   2HB   ASP 104          HB3       ASP 104 -21.661  21.036 -15.317
  773    H    ASP 105           H        ASP 105 -21.493  22.183 -12.094
  774    HA   ASP 105           HA       ASP 105 -20.718  19.784 -10.569
  775   1HB   ASP 105          HB2       ASP 105 -21.263  21.901  -9.453
  776   2HB   ASP 105          HB3       ASP 105 -22.903  21.833 -10.105
  777    HA   PRO 106           HA       PRO 106 -23.657  17.731 -13.272
  778   1HB   PRO 106          HB2       PRO 106 -23.489  15.139 -12.313
  779   2HB   PRO 106          HB3       PRO 106 -22.276  15.891 -13.389
  780   1HG   PRO 106          HG2       PRO 106 -22.209  15.646 -10.369
  781   2HG   PRO 106          HG3       PRO 106 -20.897  15.287 -11.540
  782   1HD   PRO 106          HD2       PRO 106 -21.019  17.646 -10.197
  783   2HD   PRO 106          HD3       PRO 106 -20.475  17.579 -11.901
  784    H    ALA 107           H        ALA 107 -23.853  17.533  -9.700
  785    HA   ALA 107           HA       ALA 107 -26.453  16.332  -9.654
  786   1HB   ALA 107          HB1       ALA 107 -24.908  16.191  -7.762
  787   2HB   ALA 107          HB2       ALA 107 -24.983  17.953  -7.536
  788   3HB   ALA 107          HB3       ALA 107 -26.432  16.958  -7.268
  789    H    ARG 108           H        ARG 108 -25.438  19.532 -10.433
  790    HA   ARG 108           HA       ARG 108 -28.218  20.568 -10.101
  791   1HB   ARG 108          HB2       ARG 108 -25.561  22.061  -9.850
  792   2HB   ARG 108          HB3       ARG 108 -27.154  22.820  -9.918
  793   1HG   ARG 108          HG2       ARG 108 -26.984  22.706  -7.666
  794   2HG   ARG 108          HG3       ARG 108 -27.744  21.142  -7.978
  795   1HD   ARG 108          HD2       ARG 108 -25.314  20.198  -8.001
  796   2HD   ARG 108          HD3       ARG 108 -24.859  21.757  -7.296
  797    HE   ARG 108           HE       ARG 108 -27.058  20.631  -5.858
  798   1HH1  ARG 108          HH11      ARG 108 -23.536  20.221  -6.250
  799   2HH1  ARG 108          HH12      ARG 108 -23.326  19.509  -4.686
  800   1HH2  ARG 108          HH21      ARG 108 -26.766  19.649  -3.810
  801   2HH2  ARG 108          HH22      ARG 108 -25.207  19.149  -3.285
  802    H    ALA 109           H        ALA 109 -26.724  19.095 -12.377
  803    HA   ALA 109           HA       ALA 109 -26.494  20.856 -14.526
  804   1HB   ALA 109          HB1       ALA 109 -27.476  17.970 -14.532
  805   2HB   ALA 109          HB2       ALA 109 -26.882  18.859 -15.953
  806   3HB   ALA 109          HB3       ALA 109 -25.788  18.514 -14.598
  807    H    GLN 110           H        GLN 110 -29.415  19.509 -13.104
  808    HA   GLN 110           HA       GLN 110 -31.624  19.943 -13.320
  809   1HB   GLN 110          HB2       GLN 110 -30.482  22.640 -14.093
  810   2HB   GLN 110          HB3       GLN 110 -32.197  22.379 -13.788
  811   1HG   GLN 110          HG2       GLN 110 -31.876  21.808 -11.518
  812   2HG   GLN 110          HG3       GLN 110 -30.137  21.616 -11.701
  813   1HE2  GLN 110          HE22      GLN 110 -28.796  23.499 -12.050
  814   2HE2  GLN 110          HE21      GLN 110 -29.346  25.091 -11.542
  815    H    GLY 111           H        GLY 111 -33.078  21.566 -15.188
  816   1HA   GLY 111          HA1       GLY 111 -33.736  21.628 -17.459
  817   2HA   GLY 111          HA2       GLY 111 -32.723  20.216 -17.804
  818    H    THR 112           H        THR 112 -33.312  18.180 -16.546
  819    HA   THR 112           HA       THR 112 -35.826  17.925 -15.261
  820    HB   THR 112           HB       THR 112 -36.804  17.893 -17.455
  821    HG1  THR 112           HG1      THR 112 -37.843  16.007 -17.295
  822   1HG2  THR 112          HG21      THR 112 -34.937  17.350 -18.909
  823   2HG2  THR 112          HG22      THR 112 -34.822  15.719 -18.210
  824   3HG2  THR 112          HG23      THR 112 -36.240  16.188 -19.165
  825    H    GLU 113           H        GLU 113 -35.990  15.532 -14.491
  826    HA   GLU 113           HA       GLU 113 -33.505  14.970 -13.240
  827   1HB   GLU 113          HB2       GLU 113 -35.626  14.355 -12.235
  828   2HB   GLU 113          HB3       GLU 113 -36.001  13.258 -13.574
  829   1HG   GLU 113          HG2       GLU 113 -34.142  11.799 -12.985
  830   2HG   GLU 113          HG3       GLU 113 -33.572  12.938 -11.759
  831    H    GLU 114           H        GLU 114 -35.055  13.526 -16.096
  832    HA   GLU 114           HA       GLU 114 -33.043  11.518 -16.431
  833   1HB   GLU 114          HB2       GLU 114 -34.031  11.111 -18.625
  834   2HB   GLU 114          HB3       GLU 114 -35.251  11.194 -17.358
  835   1HG   GLU 114          HG2       GLU 114 -35.833  13.504 -18.056
  836   2HG   GLU 114          HG3       GLU 114 -34.606  13.435 -19.325
  837    H    GLU 115           H        GLU 115 -33.236  14.897 -17.430
  838    HA   GLU 115           HA       GLU 115 -31.051  14.682 -19.307
  839   1HB   GLU 115          HB2       GLU 115 -32.764  16.315 -19.686
  840   2HB   GLU 115          HB3       GLU 115 -32.475  17.084 -18.117
  841   1HG   GLU 115          HG2       GLU 115 -30.428  17.995 -18.777
  842   2HG   GLU 115          HG3       GLU 115 -30.216  16.853 -20.112
  843    H    LYS 116           H        LYS 116 -31.523  15.659 -15.905
  844    HA   LYS 116           HA       LYS 116 -28.863  16.423 -15.345
  845   1HB   LYS 116          HB2       LYS 116 -30.707  17.011 -13.904
  846   2HB   LYS 116          HB3       LYS 116 -31.152  15.319 -13.671
  847   1HG   LYS 116          HG2       LYS 116 -29.099  14.875 -12.488
  848   2HG   LYS 116          HG3       LYS 116 -28.550  16.554 -12.695
  849   1HD   LYS 116          HD2       LYS 116 -31.022  15.616 -11.181
  850   2HD   LYS 116          HD3       LYS 116 -29.449  16.006 -10.453
  851   1HE   LYS 116          HE2       LYS 116 -29.745  18.349 -11.488
  852   2HE   LYS 116          HE3       LYS 116 -31.442  17.890 -11.754
  853   1HZ   LYS 116          HZ1       LYS 116 -29.997  18.064  -9.171
  854   2HZ   LYS 116          HZ2       LYS 116 -31.240  19.012  -9.650
  855   3HZ   LYS 116          HZ3       LYS 116 -31.519  17.444  -9.303
  856    H    TRP 117           H        TRP 117 -30.497  13.238 -15.020
  857    HA   TRP 117           HA       TRP 117 -28.160  11.801 -14.257
  858   1HB   TRP 117          HB2       TRP 117 -30.388  10.832 -14.039
  859   2HB   TRP 117          HB3       TRP 117 -30.620  10.868 -15.786
  860    HD1  TRP 117           HD1      TRP 117 -29.310   9.064 -17.248
  861    HE1  TRP 117           HE1      TRP 117 -28.228   6.805 -16.699
  862    HE3  TRP 117           HE3      TRP 117 -28.848   9.598 -12.184
  863    HZ2  TRP 117           HZ2      TRP 117 -26.948   5.592 -14.453
  864    HZ3  TRP 117           HZ3      TRP 117 -27.463   7.991 -10.904
  865    HH2  TRP 117           HH2      TRP 117 -26.473   6.003 -12.033
  866    H    ALA 118           H        ALA 118 -29.506  12.500 -17.539
  867    HA   ALA 118           HA       ALA 118 -27.613  11.038 -19.009
  868   1HB   ALA 118          HB1       ALA 118 -29.670  11.985 -19.974
  869   2HB   ALA 118          HB2       ALA 118 -29.034  13.630 -19.759
  870   3HB   ALA 118          HB3       ALA 118 -28.248  12.521 -20.887
  871    H    PHE 119           H        PHE 119 -27.402  14.364 -17.670
  872    HA   PHE 119           HA       PHE 119 -24.828  14.902 -18.766
  873   1HB   PHE 119          HB2       PHE 119 -26.457  16.608 -17.942
  874   2HB   PHE 119          HB3       PHE 119 -26.110  16.106 -16.292
  875    HD1  PHE 119           HD1      PHE 119 -24.119  16.854 -15.170
  876    HD2  PHE 119           HD2      PHE 119 -24.633  17.625 -19.374
  877    HE1  PHE 119           HE1      PHE 119 -22.249  18.505 -15.089
  878    HE2  PHE 119           HE2      PHE 119 -22.718  19.203 -19.317
  879    HZ   PHE 119           HZ       PHE 119 -21.525  19.644 -17.185
  880    H    PHE 120           H        PHE 120 -25.842  13.320 -15.643
  881    HA   PHE 120           HA       PHE 120 -23.252  13.052 -14.511
  882   1HB   PHE 120          HB2       PHE 120 -25.277  10.801 -14.533
  883   2HB   PHE 120          HB3       PHE 120 -23.924  11.018 -13.469
  884    HD1  PHE 120           HD1      PHE 120 -26.139  10.205 -12.211
  885    HD2  PHE 120           HD2      PHE 120 -25.296  14.259 -13.435
  886    HE1  PHE 120           HE1      PHE 120 -27.751  11.053 -10.528
  887    HE2  PHE 120           HE2      PHE 120 -26.860  15.080 -11.726
  888    HZ   PHE 120           HZ       PHE 120 -28.148  13.500 -10.315
  889    H    GLN 121           H        GLN 121 -24.962  11.074 -17.033
  890    HA   GLN 121           HA       GLN 121 -22.897   9.182 -17.344
  891   1HB   GLN 121          HB2       GLN 121 -24.745  10.044 -19.589
  892   2HB   GLN 121          HB3       GLN 121 -23.860   8.537 -19.433
  893   1HG   GLN 121          HG2       GLN 121 -26.296   9.433 -17.887
  894   2HG   GLN 121          HG3       GLN 121 -26.108   8.031 -18.909
  895   1HE2  GLN 121          HE22      GLN 121 -25.859   9.214 -15.664
  896   2HE2  GLN 121          HE21      GLN 121 -25.198   7.755 -14.954
  897    H    ARG 122           H        ARG 122 -23.302  12.333 -18.978
  898    HA   ARG 122           HA       ARG 122 -21.040  12.001 -20.720
  899   1HB   ARG 122          HB2       ARG 122 -22.542  14.466 -19.747
  900   2HB   ARG 122          HB3       ARG 122 -21.015  14.621 -20.602
  901   1HG   ARG 122          HG2       ARG 122 -22.682  14.857 -22.246
  902   2HG   ARG 122          HG3       ARG 122 -21.927  13.275 -22.497
  903   1HD   ARG 122          HD2       ARG 122 -23.831  12.235 -21.236
  904   2HD   ARG 122          HD3       ARG 122 -24.591  13.839 -21.123
  905    HE   ARG 122           HE       ARG 122 -24.196  13.493 -23.815
  906   1HH1  ARG 122          HH11      ARG 122 -25.783  11.621 -21.268
  907   2HH1  ARG 122          HH12      ARG 122 -26.856  10.773 -22.340
  908   1HH2  ARG 122          HH21      ARG 122 -25.679  12.437 -25.255
  909   2HH2  ARG 122          HH22      ARG 122 -26.828  11.306 -24.656
  910    H    VAL 123           H        VAL 123 -21.357  13.638 -17.507
  911    HA   VAL 123           HA       VAL 123 -18.629  14.382 -17.463
  912    HB   VAL 123           HB       VAL 123 -20.635  13.979 -15.194
  913   1HG1  VAL 123          HG11      VAL 123 -19.135  15.414 -13.814
  914   2HG1  VAL 123          HG12      VAL 123 -18.383  13.866 -14.201
  915   3HG1  VAL 123          HG13      VAL 123 -17.895  15.328 -15.086
  916   1HG2  VAL 123          HG21      VAL 123 -20.733  16.463 -15.250
  917   2HG2  VAL 123          HG22      VAL 123 -19.598  16.485 -16.612
  918   3HG2  VAL 123          HG23      VAL 123 -21.213  15.785 -16.806
  919    H    ARG 124           H        ARG 124 -20.184  11.365 -16.071
  920    HA   ARG 124           HA       ARG 124 -17.692  10.500 -15.035
  921   1HB   ARG 124          HB2       ARG 124 -18.669   8.320 -14.722
  922   2HB   ARG 124          HB3       ARG 124 -19.896   9.523 -14.343
  923   1HG   ARG 124          HG2       ARG 124 -20.950   9.130 -16.531
  924   2HG   ARG 124          HG3       ARG 124 -19.710   7.948 -16.946
  925   1HD   ARG 124          HD2       ARG 124 -20.416   6.570 -14.979
  926   2HD   ARG 124          HD3       ARG 124 -21.707   7.726 -14.674
  927    HE   ARG 124           HE       ARG 124 -22.969   6.726 -16.262
  928   1HH1  ARG 124          HH21      ARG 124 -19.621   5.840 -17.151
  929   2HH1  ARG 124          HH22      ARG 124 -20.133   4.824 -18.446
  930   1HH2  ARG 124          HH11      ARG 124 -23.583   5.482 -17.938
  931   2HH2  ARG 124          HH12      ARG 124 -22.446   4.581 -18.902
  932    H    ASP 125           H        ASP 125 -19.150   9.958 -18.250
  933    HA   ASP 125           HA       ASP 125 -17.202   8.135 -19.184
  934   1HB   ASP 125          HB2       ASP 125 -19.289   8.500 -20.383
  935   2HB   ASP 125          HB3       ASP 125 -18.852  10.178 -20.718
  936    H    GLU 126           H        GLU 126 -17.284  11.751 -19.353
  937    HA   GLU 126           HA       GLU 126 -14.810  11.958 -20.708
  938   1HB   GLU 126          HB2       GLU 126 -16.469  13.930 -19.114
  939   2HB   GLU 126          HB3       GLU 126 -14.940  14.356 -19.906
  940   1HG   GLU 126          HG2       GLU 126 -15.838  13.579 -22.086
  941   2HG   GLU 126          HG3       GLU 126 -17.392  13.240 -21.333
  942    H    ILE 127           H        ILE 127 -15.624  12.056 -17.173
  943    HA   ILE 127           HA       ILE 127 -12.970  12.718 -16.387
  944    HB   ILE 127           HB       ILE 127 -15.431  12.390 -15.090
  945   1HG1  ILE 127          HG12      ILE 127 -14.195  12.981 -12.987
  946   2HG1  ILE 127          HG13      ILE 127 -12.685  12.887 -13.911
  947   1HG2  ILE 127          HG21      ILE 127 -15.159  10.944 -13.217
  948   2HG2  ILE 127          HG22      ILE 127 -15.176  10.068 -14.745
  949   3HG2  ILE 127          HG23      ILE 127 -13.630  10.320 -13.885
  950   1HD1  ILE 127          HD11      ILE 127 -15.102  14.626 -14.627
  951   2HD1  ILE 127          HD12      ILE 127 -13.690  15.206 -13.725
  952   3HD1  ILE 127          HD13      ILE 127 -13.504  14.663 -15.410
  953    H    GLY 128           H        GLY 128 -14.596   9.550 -16.882
  954   1HA   GLY 128          HA1       GLY 128 -12.399   7.938 -16.083
  955   2HA   GLY 128          HA2       GLY 128 -13.748   7.452 -17.140
  956    H    ASN 129           H        ASN 129 -13.455   9.161 -19.299
  957    HA   ASN 129           HA       ASN 129 -11.378   8.076 -20.859
  958   1HB   ASN 129          HB2       ASN 129 -13.260   8.989 -21.977
  959   2HB   ASN 129          HB3       ASN 129 -13.114  10.527 -21.128
  960   1HD2  ASN 129          HD22      ASN 129 -12.284  12.152 -22.313
  961   2HD2  ASN 129          HD21      ASN 129 -10.888  11.967 -23.392
  962    H    ARG 130           H        ARG 130 -11.408  11.257 -19.123
  963    HA   ARG 130           HA       ARG 130  -8.763  11.932 -19.963
  964   1HB   ARG 130          HB2       ARG 130 -10.623  12.878 -17.792
  965   2HB   ARG 130          HB3       ARG 130  -8.920  13.285 -17.645
  966   1HG   ARG 130          HG2       ARG 130 -10.337  15.020 -18.774
  967   2HG   ARG 130          HG3       ARG 130  -8.866  14.547 -19.629
  968   1HD   ARG 130          HD2       ARG 130 -10.092  13.248 -21.244
  969   2HD   ARG 130          HD3       ARG 130 -11.563  13.339 -20.285
  970    HE   ARG 130           HE       ARG 130 -11.997  15.453 -20.943
  971   1HH1  ARG 130          HH21      ARG 130  -8.936  14.370 -22.473
  972   2HH1  ARG 130          HH22      ARG 130  -8.852  15.742 -23.520
  973   1HH2  ARG 130          HH11      ARG 130 -11.854  17.239 -22.388
  974   2HH2  ARG 130          HH12      ARG 130 -10.543  17.378 -23.491
  975    H    LEU 131           H        LEU 131  -9.847   9.938 -17.169
  976    HA   LEU 131           HA       LEU 131  -7.132   9.718 -16.160
  977   1HB   LEU 131          HB2       LEU 131  -9.702   8.256 -15.585
  978   2HB   LEU 131          HB3       LEU 131  -8.175   7.509 -15.135
  979    HG   LEU 131           HG       LEU 131  -9.017   8.651 -13.278
  980   1HD1  LEU 131          HD11      LEU 131  -6.693  10.371 -14.199
  981   2HD1  LEU 131          HD12      LEU 131  -7.084   9.832 -12.569
  982   3HD1  LEU 131          HD13      LEU 131  -6.521   8.658 -13.756
  983   1HD2  LEU 131          HD21      LEU 131  -9.294  11.104 -13.137
  984   2HD2  LEU 131          HD22      LEU 131  -9.057  11.206 -14.893
  985   3HD2  LEU 131          HD23      LEU 131 -10.442  10.324 -14.214
  986    H    LYS 132           H        LYS 132  -9.071   7.704 -18.399
  987    HA   LYS 132           HA       LYS 132  -7.081   5.763 -18.918
  988   1HB   LYS 132          HB2       LYS 132  -9.189   5.243 -19.641
  989   2HB   LYS 132          HB3       LYS 132  -9.529   6.810 -20.316
  990   1HG   LYS 132          HG2       LYS 132  -7.540   4.934 -21.640
  991   2HG   LYS 132          HG3       LYS 132  -9.289   4.780 -21.856
  992   1HD   LYS 132          HD2       LYS 132  -9.113   7.391 -22.452
  993   2HD   LYS 132          HD3       LYS 132  -7.455   6.940 -22.862
  994   1HE   LYS 132          HE2       LYS 132 -10.041   5.832 -24.031
  995   2HE   LYS 132          HE3       LYS 132  -8.852   6.863 -24.830
  996   1HZ   LYS 132          HZ1       LYS 132  -8.505   4.034 -24.065
  997   2HZ   LYS 132          HZ2       LYS 132  -8.475   4.672 -25.563
  998   3HZ   LYS 132          HZ3       LYS 132  -7.243   4.974 -24.515
  999    H    GLU 133           H        GLU 133  -7.649   8.923 -20.535
 1000    HA   GLU 133           HA       GLU 133  -5.416   8.801 -22.299
 1001   1HB   GLU 133          HB2       GLU 133  -6.692  11.155 -20.853
 1002   2HB   GLU 133          HB3       GLU 133  -5.420  11.325 -22.065
 1003   1HG   GLU 133          HG2       GLU 133  -6.801  10.614 -23.833
 1004   2HG   GLU 133          HG3       GLU 133  -8.033   9.962 -22.757
 1005    H    PHE 134           H        PHE 134  -5.566  10.170 -18.901
 1006    HA   PHE 134           HA       PHE 134  -2.868  10.893 -18.936
 1007   1HB   PHE 134          HB2       PHE 134  -4.559  11.461 -17.135
 1008   2HB   PHE 134          HB3       PHE 134  -4.300   9.846 -16.460
 1009    HD1  PHE 134           HD1      PHE 134  -1.841   9.172 -15.868
 1010    HD2  PHE 134           HD2      PHE 134  -3.047  13.243 -16.666
 1011    HE1  PHE 134           HE1      PHE 134   0.414   9.945 -15.280
 1012    HE2  PHE 134           HE2      PHE 134  -0.816  14.032 -15.931
 1013    HZ   PHE 134           HZ       PHE 134   0.943  12.389 -15.321
 1014    H    ALA 135           H        ALA 135  -4.327   7.778 -18.068
 1015    HA   ALA 135           HA       ALA 135  -1.938   6.594 -17.122
 1016   1HB   ALA 135          HB1       ALA 135  -3.225   4.488 -17.201
 1017   2HB   ALA 135          HB2       ALA 135  -4.269   5.802 -16.611
 1018   3HB   ALA 135          HB3       ALA 135  -4.422   5.230 -18.283
 1019    H    GLU 136           H        GLU 136  -3.439   6.641 -20.361
 1020    HA   GLU 136           HA       GLU 136  -1.521   4.750 -21.442
 1021   1HB   GLU 136          HB2       GLU 136  -3.760   6.369 -22.699
 1022   2HB   GLU 136          HB3       GLU 136  -2.700   5.286 -23.610
 1023   1HG   GLU 136          HG2       GLU 136  -3.362   3.404 -22.088
 1024   2HG   GLU 136          HG3       GLU 136  -4.576   4.452 -21.356
 1025    H    THR 137           H        THR 137  -2.032   8.256 -21.576
 1026    HA   THR 137           HA       THR 137  -0.038   8.534 -23.616
 1027    HB   THR 137           HB       THR 137  -0.718  10.839 -23.716
 1028    HG1  THR 137           HG1      THR 137  -2.498  10.248 -21.622
 1029   1HG2  THR 137          HG21      THR 137  -2.048   9.202 -24.958
 1030   2HG2  THR 137          HG22      THR 137  -3.089   8.915 -23.558
 1031   3HG2  THR 137          HG23      THR 137  -3.087  10.507 -24.353
 1032    H    GLY 138           H        GLY 138  -0.213   8.880 -20.129
 1033   1HA   GLY 138          HA1       GLY 138   1.312   9.565 -18.558
 1034   2HA   GLY 138          HA2       GLY 138   2.603   9.487 -19.779
 1035    H    LYS 139           H        LYS 139  -0.449  11.283 -19.766
 1036    HA   LYS 139           HA       LYS 139   0.167  13.415 -21.214
 1037   1HB   LYS 139          HB2       LYS 139  -2.053  12.782 -20.313
 1038   2HB   LYS 139          HB3       LYS 139  -1.626  13.519 -18.764
 1039   1HG   LYS 139          HG2       LYS 139  -1.413  15.711 -19.808
 1040   2HG   LYS 139          HG3       LYS 139  -1.703  15.022 -21.415
 1041   1HD   LYS 139          HD2       LYS 139  -3.693  15.024 -19.102
 1042   2HD   LYS 139          HD3       LYS 139  -3.683  16.164 -20.454
 1043   1HE   LYS 139          HE2       LYS 139  -4.042  14.289 -22.052
 1044   2HE   LYS 139          HE3       LYS 139  -4.104  13.150 -20.705
 1045   1HZ   LYS 139          HZ1       LYS 139  -6.341  13.850 -21.418
 1046   2HZ   LYS 139          HZ2       LYS 139  -6.056  14.320 -19.876
 1047   3HZ   LYS 139          HZ3       LYS 139  -5.982  15.411 -21.096
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1   0.636   1.390   2.091
    2   2H    MET   1           H2       MET   1  -0.455   0.631   1.141
    3   3H    MET   1           H3       MET   1   0.672  -0.244   1.957
    4    HA   MET   1           HA       MET   1   2.439   0.757   0.686
    5   1HB   MET   1          HB2       MET   1   1.465  -1.385  -0.095
    6   2HB   MET   1          HB3       MET   1   0.283  -0.502  -1.069
    7   1HG   MET   1          HG2       MET   1   2.168  -1.318  -2.415
    8   2HG   MET   1          HG3       MET   1   2.069   0.437  -2.453
    9   1HE   MET   1          HE1       MET   1   5.894  -0.107  -2.845
   10   2HE   MET   1          HE2       MET   1   4.572  -1.066  -3.548
   11   3HE   MET   1          HE3       MET   1   4.440   0.706  -3.464
   12    H    GLU   2           H        GLU   2   3.157   2.411  -0.620
   13    HA   GLU   2           HA       GLU   2   1.276   4.183  -2.029
   14   1HB   GLU   2          HB2       GLU   2   3.235   5.015   0.167
   15   2HB   GLU   2          HB3       GLU   2   2.601   6.141  -1.035
   16   1HG   GLU   2          HG2       GLU   2   0.341   5.870  -0.241
   17   2HG   GLU   2          HG3       GLU   2   0.809   4.560   0.847
   18    H    ASN   3           H        ASN   3   2.547   5.487  -3.603
   19    HA   ASN   3           HA       ASN   3   5.376   4.928  -3.965
   20   1HB   ASN   3          HB2       ASN   3   4.655   2.928  -5.024
   21   2HB   ASN   3          HB3       ASN   3   3.375   3.749  -5.895
   22   1HD2  ASN   3          HD22      ASN   3   3.854   4.633  -7.911
   23   2HD2  ASN   3          HD21      ASN   3   5.475   4.663  -8.602
   24    H    LYS   4           H        LYS   4   2.397   6.180  -5.468
   25    HA   LYS   4           HA       LYS   4   3.669   8.861  -5.702
   26   1HB   LYS   4          HB2       LYS   4   2.013   7.436  -7.834
   27   2HB   LYS   4          HB3       LYS   4   2.229   9.185  -7.808
   28   1HG   LYS   4          HG2       LYS   4   4.662   8.961  -7.977
   29   2HG   LYS   4          HG3       LYS   4   4.526   7.202  -7.992
   30   1HD   LYS   4          HD2       LYS   4   3.406   9.094 -10.108
   31   2HD   LYS   4          HD3       LYS   4   4.862   8.090 -10.240
   32   1HE   LYS   4          HE2       LYS   4   3.336   6.075  -9.764
   33   2HE   LYS   4          HE3       LYS   4   1.967   7.161 -10.016
   34   1HZ   LYS   4          HZ1       LYS   4   4.088   6.745 -12.049
   35   2HZ   LYS   4          HZ2       LYS   4   2.744   5.831 -11.994
   36   3HZ   LYS   4          HZ3       LYS   4   2.626   7.456 -12.270
   37    H    ILE   5           H        ILE   5   1.804  10.530  -5.943
   38    HA   ILE   5           HA       ILE   5  -0.699   9.663  -4.619
   39    HB   ILE   5           HB       ILE   5   1.151  11.901  -3.724
   40   1HG1  ILE   5          HG12      ILE   5  -0.050   9.591  -2.149
   41   2HG1  ILE   5          HG13      ILE   5   1.605   9.671  -2.758
   42   1HG2  ILE   5          HG21      ILE   5  -1.754  11.427  -2.915
   43   2HG2  ILE   5          HG22      ILE   5  -0.672  12.623  -2.147
   44   3HG2  ILE   5          HG23      ILE   5  -1.152  12.821  -3.818
   45   1HD1  ILE   5          HD11      ILE   5   1.706  10.255  -0.463
   46   2HD1  ILE   5          HD12      ILE   5   1.978  11.746  -1.384
   47   3HD1  ILE   5          HD13      ILE   5   0.403  11.440  -0.605
   48    H    ILE   6           H        ILE   6  -2.418  10.573  -5.654
   49    HA   ILE   6           HA       ILE   6  -1.964  12.898  -7.437
   50    HB   ILE   6           HB       ILE   6  -2.159  11.158  -8.963
   51   1HG1  ILE   6          HG12      ILE   6  -4.936  12.383  -8.650
   52   2HG1  ILE   6          HG13      ILE   6  -3.539  13.127  -9.433
   53   1HG2  ILE   6          HG21      ILE   6  -2.916   9.317  -7.517
   54   2HG2  ILE   6          HG22      ILE   6  -4.531  10.044  -7.422
   55   3HG2  ILE   6          HG23      ILE   6  -3.905   9.404  -8.956
   56   1HD1  ILE   6          HD11      ILE   6  -5.127  10.709 -10.364
   57   2HD1  ILE   6          HD12      ILE   6  -4.935  12.270 -11.166
   58   3HD1  ILE   6          HD13      ILE   6  -3.556  11.156 -11.070
   59    H    TYR   7           H        TYR   7  -3.398  14.557  -6.957
   60    HA   TYR   7           HA       TYR   7  -5.503  14.025  -4.909
   61   1HB   TYR   7          HB2       TYR   7  -3.356  14.908  -4.014
   62   2HB   TYR   7          HB3       TYR   7  -3.541  16.339  -5.016
   63    HD1  TYR   7           HD1      TYR   7  -5.756  14.366  -2.661
   64    HD2  TYR   7           HD2      TYR   7  -4.129  18.201  -3.742
   65    HE1  TYR   7           HE1      TYR   7  -6.799  15.363  -0.648
   66    HE2  TYR   7           HE2      TYR   7  -5.158  19.205  -1.723
   67    HH   TYR   7           HH       TYR   7  -7.008  17.290   0.663
   68    H    PHE   8           H        PHE   8  -7.411  14.321  -5.951
   69    HA   PHE   8           HA       PHE   8  -7.656  16.166  -8.215
   70   1HB   PHE   8          HB2       PHE   8  -9.682  14.475  -6.680
   71   2HB   PHE   8          HB3       PHE   8 -10.093  15.498  -8.049
   72    HD1  PHE   8           HD1      PHE   8  -8.942  15.109 -10.288
   73    HD2  PHE   8           HD2      PHE   8  -8.789  12.263  -7.053
   74    HE1  PHE   8           HE1      PHE   8  -8.164  13.361 -11.869
   75    HE2  PHE   8           HE2      PHE   8  -8.018  10.519  -8.648
   76    HZ   PHE   8           HZ       PHE   8  -7.678  11.069 -11.031
   77    H    LEU   9           H        LEU   9  -8.824  18.084  -8.287
   78    HA   LEU   9           HA       LEU   9  -9.770  19.284  -5.756
   79   1HB   LEU   9          HB2       LEU   9  -7.291  19.733  -6.223
   80   2HB   LEU   9          HB3       LEU   9  -7.763  20.536  -7.703
   81    HG   LEU   9           HG       LEU   9  -7.197  22.090  -5.924
   82   1HD1  LEU   9          HD11      LEU   9 -10.196  22.410  -6.221
   83   2HD1  LEU   9          HD12      LEU   9  -8.936  23.643  -6.100
   84   3HD1  LEU   9          HD13      LEU   9  -9.069  22.681  -7.574
   85   1HD2  LEU   9          HD21      LEU   9  -8.547  22.354  -3.918
   86   2HD2  LEU   9          HD22      LEU   9  -9.512  20.930  -4.337
   87   3HD2  LEU   9          HD23      LEU   9  -7.787  20.743  -3.986
   88    H    CYS  10           H        CYS  10 -11.743  20.292  -6.188
   89    HA   CYS  10           HA       CYS  10 -12.195  21.476  -8.836
   90   1HB   CYS  10          HB2       CYS  10 -13.013  18.951  -8.641
   91   2HB   CYS  10          HB3       CYS  10 -14.374  19.669  -7.767
   92    HG   CYS  10           HG       CYS  10 -14.893  19.249 -10.345
   93    H    THR  11           H        THR  11 -14.599  22.646  -8.693
   94    HA   THR  11           HA       THR  11 -14.358  24.403  -6.443
   95    HB   THR  11           HB       THR  11 -16.578  25.284  -7.380
   96    HG1  THR  11           HG1      THR  11 -17.044  24.640  -9.440
   97   1HG2  THR  11          HG21      THR  11 -15.407  26.497  -9.078
   98   2HG2  THR  11          HG22      THR  11 -14.235  26.173  -7.786
   99   3HG2  THR  11          HG23      THR  11 -14.207  25.205  -9.277
  100    H    GLY  12           H        GLY  12 -15.817  21.338  -6.668
  101   1HA   GLY  12          HA1       GLY  12 -16.561  21.540  -3.910
  102   2HA   GLY  12          HA2       GLY  12 -17.957  21.210  -4.968
  103    H    ASN  13           H        ASN  13 -15.733  19.713  -3.133
  104    HA   ASN  13           HA       ASN  13 -14.483  17.716  -4.710
  105   1HB   ASN  13          HB2       ASN  13 -13.976  18.320  -2.336
  106   2HB   ASN  13          HB3       ASN  13 -15.491  17.606  -1.823
  107   1HD2  ASN  13          HD22      ASN  13 -13.011  16.868  -0.799
  108   2HD2  ASN  13          HD21      ASN  13 -12.610  15.234  -1.283
  109    H    SER  14           H        SER  14 -17.554  17.754  -2.989
  110    HA   SER  14           HA       SER  14 -18.428  15.358  -2.673
  111   1HB   SER  14          HB2       SER  14 -20.180  17.542  -3.811
  112   2HB   SER  14          HB3       SER  14 -20.624  16.328  -2.600
  113    HG   SER  14           HG       SER  14 -20.050  18.578  -1.971
  114    H    CYS  15           H        CYS  15 -18.342  16.666  -5.959
  115    HA   CYS  15           HA       CYS  15 -19.834  14.256  -6.906
  116   1HB   CYS  15          HB2       CYS  15 -19.821  16.966  -8.286
  117   2HB   CYS  15          HB3       CYS  15 -20.844  15.567  -8.626
  118    HG   CYS  15           HG       CYS  15 -21.983  17.759  -7.554
  119    H    ARG  16           H        ARG  16 -17.774  16.841  -8.365
  120    HA   ARG  16           HA       ARG  16 -16.940  15.071 -10.448
  121   1HB   ARG  16          HB2       ARG  16 -16.047  17.825  -9.530
  122   2HB   ARG  16          HB3       ARG  16 -15.272  17.017 -10.901
  123   1HG   ARG  16          HG2       ARG  16 -17.201  17.005 -12.222
  124   2HG   ARG  16          HG3       ARG  16 -18.294  17.216 -10.855
  125   1HD   ARG  16          HD2       ARG  16 -16.360  19.364 -11.786
  126   2HD   ARG  16          HD3       ARG  16 -18.029  19.234 -12.334
  127    HE   ARG  16           HE       ARG  16 -18.441  19.239  -9.666
  128   1HH1  ARG  16          HH21      ARG  16 -16.780  21.546 -11.800
  129   2HH1  ARG  16          HH22      ARG  16 -16.727  22.778 -10.557
  130   1HH2  ARG  16          HH11      ARG  16 -18.597  20.873  -8.247
  131   2HH2  ARG  16          HH12      ARG  16 -17.810  22.425  -8.535
  132    H    SER  17           H        SER  17 -15.062  16.281  -7.569
  133    HA   SER  17           HA       SER  17 -12.728  14.850  -8.328
  134   1HB   SER  17          HB2       SER  17 -13.553  15.609  -5.520
  135   2HB   SER  17          HB3       SER  17 -11.913  15.367  -6.155
  136    HG   SER  17           HG       SER  17 -12.412  17.563  -5.986
  137    H    GLN  18           H        GLN  18 -15.476  13.975  -6.156
  138    HA   GLN  18           HA       GLN  18 -14.500  11.472  -5.336
  139   1HB   GLN  18          HB2       GLN  18 -17.360  12.440  -5.829
  140   2HB   GLN  18          HB3       GLN  18 -16.977  10.911  -5.050
  141   1HG   GLN  18          HG2       GLN  18 -16.149  13.651  -4.024
  142   2HG   GLN  18          HG3       GLN  18 -17.479  12.693  -3.408
  143   1HE2  GLN  18          HE22      GLN  18 -14.563  13.615  -2.484
  144   2HE2  GLN  18          HE21      GLN  18 -14.136  12.210  -1.502
  145    H    MET  19           H        MET  19 -16.473  12.173  -8.310
  146    HA   MET  19           HA       MET  19 -16.499   9.396  -9.117
  147   1HB   MET  19          HB2       MET  19 -16.894  11.936 -10.759
  148   2HB   MET  19          HB3       MET  19 -17.113  10.284 -11.356
  149   1HG   MET  19          HG2       MET  19 -18.746   9.972  -9.377
  150   2HG   MET  19          HG3       MET  19 -18.747  11.722  -9.263
  151   1HE   MET  19          HE1       MET  19 -18.476  12.301 -12.625
  152   2HE   MET  19          HE2       MET  19 -20.193  12.687 -12.857
  153   3HE   MET  19          HE3       MET  19 -19.333  13.285 -11.415
  154    H    ALA  20           H        ALA  20 -14.329  12.182  -9.997
  155    HA   ALA  20           HA       ALA  20 -12.737  10.829 -11.863
  156   1HB   ALA  20          HB1       ALA  20 -11.046  12.508 -11.391
  157   2HB   ALA  20          HB2       ALA  20 -12.637  13.289 -11.354
  158   3HB   ALA  20          HB3       ALA  20 -11.798  12.906  -9.839
  159    H    GLU  21           H        GLU  21 -12.375  10.973  -8.298
  160    HA   GLU  21           HA       GLU  21 -10.023   9.438  -8.117
  161   1HB   GLU  21          HB2       GLU  21 -10.709  10.707  -6.289
  162   2HB   GLU  21          HB3       GLU  21 -12.327   9.978  -6.218
  163   1HG   GLU  21          HG2       GLU  21 -11.330   7.851  -5.510
  164   2HG   GLU  21          HG3       GLU  21  -9.720   8.560  -5.560
  165    H    GLY  22           H        GLY  22 -13.482   8.384  -8.075
  166   1HA   GLY  22          HA1       GLY  22 -13.153   5.634  -7.773
  167   2HA   GLY  22          HA2       GLY  22 -14.433   6.428  -8.703
  168    H    TRP  23           H        TRP  23 -13.118   7.502 -10.947
  169    HA   TRP  23           HA       TRP  23 -12.562   5.061 -12.425
  170   1HB   TRP  23          HB2       TRP  23 -12.120   7.965 -13.171
  171   2HB   TRP  23          HB3       TRP  23 -11.880   6.609 -14.259
  172    HD1  TRP  23           HD1      TRP  23 -14.530   8.750 -12.707
  173    HE1  TRP  23           HE1      TRP  23 -16.752   8.408 -13.847
  174    HE3  TRP  23           HE3      TRP  23 -13.379   4.600 -15.502
  175    HZ2  TRP  23           HZ2      TRP  23 -17.856   6.733 -15.901
  176    HZ3  TRP  23           HZ3      TRP  23 -15.040   3.712 -17.111
  177    HH2  TRP  23           HH2      TRP  23 -17.288   4.798 -17.327
  178    H    ALA  24           H        ALA  24 -10.461   7.587 -10.952
  179    HA   ALA  24           HA       ALA  24  -8.162   6.777 -12.345
  180   1HB   ALA  24          HB1       ALA  24  -8.348   8.088  -9.594
  181   2HB   ALA  24          HB2       ALA  24  -6.911   8.079 -10.639
  182   3HB   ALA  24          HB3       ALA  24  -8.373   8.940 -11.145
  183    H    LYS  25           H        LYS  25  -9.515   5.549  -9.288
  184    HA   LYS  25           HA       LYS  25  -7.332   3.890  -8.562
  185   1HB   LYS  25          HB2       LYS  25 -10.330   3.626  -8.155
  186   2HB   LYS  25          HB3       LYS  25  -9.179   2.483  -7.447
  187   1HG   LYS  25          HG2       LYS  25  -8.128   4.159  -6.115
  188   2HG   LYS  25          HG3       LYS  25  -8.899   5.480  -7.003
  189   1HD   LYS  25          HD2       LYS  25 -11.119   4.769  -6.189
  190   2HD   LYS  25          HD3       LYS  25 -10.356   3.468  -5.235
  191   1HE   LYS  25          HE2       LYS  25  -9.073   5.127  -3.942
  192   2HE   LYS  25          HE3       LYS  25  -9.653   6.423  -4.996
  193   1HZ   LYS  25          HZ1       LYS  25 -10.975   6.546  -3.127
  194   2HZ   LYS  25          HZ2       LYS  25 -11.939   5.827  -4.216
  195   3HZ   LYS  25          HZ3       LYS  25 -11.238   4.906  -3.029
  196    H    GLN  26           H        GLN  26  -9.766   3.415 -11.080
  197    HA   GLN  26           HA       GLN  26  -9.129   0.585 -11.498
  198   1HB   GLN  26          HB2       GLN  26 -10.858   2.654 -12.888
  199   2HB   GLN  26          HB3       GLN  26 -10.443   1.173 -13.712
  200   1HG   GLN  26          HG2       GLN  26 -12.682   1.388 -12.370
  201   2HG   GLN  26          HG3       GLN  26 -11.787  -0.128 -12.438
  202   1HE2  GLN  26          HE22      GLN  26 -12.036   2.851 -10.292
  203   2HE2  GLN  26          HE21      GLN  26 -11.910   1.915  -8.836
  204    H    TYR  27           H        TYR  27  -8.491   3.676 -13.185
  205    HA   TYR  27           HA       TYR  27  -6.966   2.368 -15.249
  206   1HB   TYR  27          HB2       TYR  27  -7.426   5.277 -14.508
  207   2HB   TYR  27          HB3       TYR  27  -6.479   4.790 -15.911
  208    HD1  TYR  27           HD1      TYR  27  -9.613   5.940 -15.053
  209    HD2  TYR  27           HD2      TYR  27  -7.762   2.812 -17.378
  210    HE1  TYR  27           HE1      TYR  27 -11.632   5.797 -16.477
  211    HE2  TYR  27           HE2      TYR  27  -9.800   2.619 -18.758
  212    HH   TYR  27           HH       TYR  27 -11.954   3.436 -19.158
  213    H    LEU  28           H        LEU  28  -5.974   4.131 -12.293
  214    HA   LEU  28           HA       LEU  28  -3.207   4.305 -13.279
  215   1HB   LEU  28          HB2       LEU  28  -4.434   5.316 -10.686
  216   2HB   LEU  28          HB3       LEU  28  -2.864   5.714 -11.338
  217    HG   LEU  28           HG       LEU  28  -5.537   6.565 -12.469
  218   1HD1  LEU  28          HD11      LEU  28  -4.629   7.787 -10.491
  219   2HD1  LEU  28          HD12      LEU  28  -3.167   8.166 -11.421
  220   3HD1  LEU  28          HD13      LEU  28  -4.741   8.800 -11.947
  221   1HD2  LEU  28          HD21      LEU  28  -4.084   6.072 -14.384
  222   2HD2  LEU  28          HD22      LEU  28  -4.307   7.803 -14.178
  223   3HD2  LEU  28          HD23      LEU  28  -2.779   7.043 -13.664
  224    H    GLY  29           H        GLY  29  -5.004   2.646 -10.714
  225   1HA   GLY  29          HA1       GLY  29  -4.511   0.657  -9.660
  226   2HA   GLY  29          HA2       GLY  29  -2.993   0.558 -10.555
  227    H    ASP  30           H        ASP  30  -2.620  -0.291  -8.219
  228    HA   ASP  30           HA       ASP  30  -2.487   1.490  -6.033
  229   1HB   ASP  30          HB2       ASP  30  -2.760  -0.992  -5.940
  230   2HB   ASP  30          HB3       ASP  30  -1.056  -1.165  -6.382
  231    H    GLU  31           H        GLU  31  -0.401   1.371  -8.643
  232    HA   GLU  31           HA       GLU  31   2.129   2.129  -7.532
  233   1HB   GLU  31          HB2       GLU  31   1.622   1.304  -9.866
  234   2HB   GLU  31          HB3       GLU  31   0.757   2.798 -10.184
  235   1HG   GLU  31          HG2       GLU  31   2.960   4.027  -9.787
  236   2HG   GLU  31          HG3       GLU  31   3.741   2.448  -9.708
  237    H    TRP  32           H        TRP  32  -0.902   3.656  -7.350
  238    HA   TRP  32           HA       TRP  32   0.326   6.235  -6.587
  239   1HB   TRP  32          HB2       TRP  32  -2.328   6.004  -8.038
  240   2HB   TRP  32          HB3       TRP  32  -1.408   7.452  -7.688
  241    HD1  TRP  32           HD1      TRP  32  -0.888   4.259  -9.830
  242    HE1  TRP  32           HE1      TRP  32  -0.157   4.917 -12.170
  243    HE3  TRP  32           HE3      TRP  32  -0.722   9.328  -9.199
  244    HZ2  TRP  32           HZ2      TRP  32   0.223   7.326 -13.660
  245    HZ3  TRP  32           HZ3      TRP  32  -0.333  10.801 -11.133
  246    HH2  TRP  32           HH2      TRP  32   0.142   9.789 -13.411
  247    H    LYS  33           H        LYS  33  -0.995   7.355  -5.027
  248    HA   LYS  33           HA       LYS  33  -3.244   5.816  -3.853
  249   1HB   LYS  33          HB2       LYS  33  -1.015   6.489  -2.402
  250   2HB   LYS  33          HB3       LYS  33  -1.910   8.007  -2.289
  251   1HG   LYS  33          HG2       LYS  33  -2.667   6.852  -0.420
  252   2HG   LYS  33          HG3       LYS  33  -3.944   6.508  -1.576
  253   1HD   LYS  33          HD2       LYS  33  -1.663   4.706  -0.676
  254   2HD   LYS  33          HD3       LYS  33  -3.375   4.516  -0.316
  255   1HE   LYS  33          HE2       LYS  33  -3.819   4.005  -2.731
  256   2HE   LYS  33          HE3       LYS  33  -2.102   4.214  -3.073
  257   1HZ   LYS  33          HZ1       LYS  33  -3.243   2.131  -1.311
  258   2HZ   LYS  33          HZ2       LYS  33  -2.511   1.880  -2.756
  259   3HZ   LYS  33          HZ3       LYS  33  -1.635   2.411  -1.491
  260    H    VAL  34           H        VAL  34  -5.158   6.991  -3.588
  261    HA   VAL  34           HA       VAL  34  -5.237   9.420  -5.316
  262    HB   VAL  34           HB       VAL  34  -7.302   7.195  -5.286
  263   1HG1  VAL  34          HG11      VAL  34  -6.544   9.053  -7.561
  264   2HG1  VAL  34          HG12      VAL  34  -8.004   8.064  -7.364
  265   3HG1  VAL  34          HG13      VAL  34  -7.756   9.486  -6.337
  266   1HG2  VAL  34          HG21      VAL  34  -6.288   6.251  -7.365
  267   2HG2  VAL  34          HG22      VAL  34  -4.845   7.244  -7.088
  268   3HG2  VAL  34          HG23      VAL  34  -5.299   5.964  -5.932
  269    H    TYR  35           H        TYR  35  -6.256  11.102  -4.363
  270    HA   TYR  35           HA       TYR  35  -8.528  10.558  -2.588
  271   1HB   TYR  35          HB2       TYR  35  -6.871  12.756  -1.536
  272   2HB   TYR  35          HB3       TYR  35  -7.837  11.576  -0.706
  273    HD1  TYR  35           HD1      TYR  35  -6.811   9.297  -0.141
  274    HD2  TYR  35           HD2      TYR  35  -4.518  12.563  -1.775
  275    HE1  TYR  35           HE1      TYR  35  -4.729   8.292   0.764
  276    HE2  TYR  35           HE2      TYR  35  -2.467  11.630  -0.814
  277    HH   TYR  35           HH       TYR  35  -1.520   9.887   0.438
  278    H    SER  36           H        SER  36  -9.651  12.684  -2.086
  279    HA   SER  36           HA       SER  36  -9.563  14.558  -4.402
  280   1HB   SER  36          HB2       SER  36 -11.935  13.192  -3.036
  281   2HB   SER  36          HB3       SER  36 -12.054  14.452  -4.263
  282    HG   SER  36           HG       SER  36 -11.140  11.808  -4.439
  283    H    ALA  37           H        ALA  37  -9.905  16.666  -3.911
  284    HA   ALA  37           HA       ALA  37 -11.247  17.408  -1.397
  285   1HB   ALA  37          HB1       ALA  37  -8.891  17.539  -0.936
  286   2HB   ALA  37          HB2       ALA  37  -8.658  18.638  -2.337
  287   3HB   ALA  37          HB3       ALA  37  -9.697  19.100  -0.954
  288    H    GLY  38           H        GLY  38 -11.397  20.054  -1.698
  289   1HA   GLY  38          HA1       GLY  38 -11.721  20.981  -4.372
  290   2HA   GLY  38          HA2       GLY  38 -13.290  20.632  -3.628
  291    H    ILE  39           H        ILE  39 -12.946  23.130  -4.288
  292    HA   ILE  39           HA       ILE  39 -11.904  24.976  -2.374
  293    HB   ILE  39           HB       ILE  39 -14.162  24.966  -4.384
  294   1HG1  ILE  39          HG12      ILE  39 -12.936  26.801  -5.422
  295   2HG1  ILE  39          HG13      ILE  39 -11.792  26.831  -4.083
  296   1HG2  ILE  39          HG21      ILE  39 -14.666  27.342  -3.961
  297   2HG2  ILE  39          HG22      ILE  39 -15.181  26.295  -2.647
  298   3HG2  ILE  39          HG23      ILE  39 -13.698  27.271  -2.470
  299   1HD1  ILE  39          HD11      ILE  39 -10.908  24.624  -4.780
  300   2HD1  ILE  39          HD12      ILE  39 -12.132  24.552  -6.081
  301   3HD1  ILE  39          HD13      ILE  39 -10.868  25.778  -6.107
  302    H    GLU  40           H        GLU  40 -14.952  23.120  -2.555
  303    HA   GLU  40           HA       GLU  40 -15.030  23.153   0.379
  304   1HB   GLU  40          HB2       GLU  40 -17.367  23.724   0.529
  305   2HB   GLU  40          HB3       GLU  40 -16.480  25.030  -0.244
  306   1HG   GLU  40          HG2       GLU  40 -17.289  24.293  -2.470
  307   2HG   GLU  40          HG3       GLU  40 -18.154  22.941  -1.733
  308    H    ALA  41           H        ALA  41 -17.012  21.666   1.003
  309    HA   ALA  41           HA       ALA  41 -17.598  19.444  -0.800
  310   1HB   ALA  41          HB1       ALA  41 -16.220  19.082   1.909
  311   2HB   ALA  41          HB2       ALA  41 -16.934  17.789   0.931
  312   3HB   ALA  41          HB3       ALA  41 -15.523  18.683   0.323
  313    H    HIS  42           H        HIS  42 -19.484  18.344   0.044
  314    HA   HIS  42           HA       HIS  42 -20.756  19.482   2.474
  315   1HB   HIS  42          HB2       HIS  42 -22.937  19.616   1.341
  316   2HB   HIS  42          HB3       HIS  42 -21.756  20.755   0.717
  317    HD1  HIS  42           HD1      HIS  42 -23.382  17.389  -0.372
  318    HD2  HIS  42           HD2      HIS  42 -21.403  20.792  -1.865
  319    HE1  HIS  42           HE1      HIS  42 -23.502  17.232  -2.904
  320    H    GLY  43           H        GLY  43 -20.171  16.720   0.347
  321   1HA   GLY  43          HA1       GLY  43 -20.193  14.911   2.403
  322   2HA   GLY  43          HA2       GLY  43 -21.855  14.878   1.777
  323    H    LEU  44           H        LEU  44 -20.823  12.577   1.375
  324    HA   LEU  44           HA       LEU  44 -19.448  12.367  -1.234
  325   1HB   LEU  44          HB2       LEU  44 -19.044  10.655   0.531
  326   2HB   LEU  44          HB3       LEU  44 -20.775  10.318   0.607
  327    HG   LEU  44           HG       LEU  44 -20.664   9.659  -1.854
  328   1HD1  LEU  44          HD11      LEU  44 -18.433   8.986  -2.720
  329   2HD1  LEU  44          HD12      LEU  44 -18.574  10.734  -2.511
  330   3HD1  LEU  44          HD13      LEU  44 -17.676   9.773  -1.318
  331   1HD2  LEU  44          HD21      LEU  44 -20.820   7.962  -0.154
  332   2HD2  LEU  44          HD22      LEU  44 -19.599   7.444  -1.334
  333   3HD2  LEU  44          HD23      LEU  44 -19.099   8.104   0.230
  334    H    ASN  45           H        ASN  45 -20.836  13.264  -2.845
  335    HA   ASN  45           HA       ASN  45 -23.608  13.537  -2.433
  336   1HB   ASN  45          HB2       ASN  45 -22.197  14.875  -4.010
  337   2HB   ASN  45          HB3       ASN  45 -22.226  13.523  -5.145
  338   1HD2  ASN  45          HD21      ASN  45 -23.394  16.326  -5.320
  339   2HD2  ASN  45          HD22      ASN  45 -25.109  16.101  -5.574
  340    HA   PRO  46           HA       PRO  46 -24.866   9.254  -3.257
  341   1HB   PRO  46          HB2       PRO  46 -27.505  10.623  -3.799
  342   2HB   PRO  46          HB3       PRO  46 -27.180   9.129  -2.864
  343   1HG   PRO  46          HG2       PRO  46 -27.621  11.475  -1.578
  344   2HG   PRO  46          HG3       PRO  46 -26.307  10.384  -1.026
  345   1HD   PRO  46          HD2       PRO  46 -26.087  12.857  -2.759
  346   2HD   PRO  46          HD3       PRO  46 -25.066  12.344  -1.381
  347    H    ASN  47           H        ASN  47 -25.561  11.996  -5.481
  348    HA   ASN  47           HA       ASN  47 -26.221  10.366  -7.738
  349   1HB   ASN  47          HB2       ASN  47 -26.458  12.271  -8.832
  350   2HB   ASN  47          HB3       ASN  47 -26.234  13.101  -7.314
  351   1HD2  ASN  47          HD22      ASN  47 -25.156  12.854 -10.547
  352   2HD2  ASN  47          HD21      ASN  47 -23.604  13.633 -10.359
  353    H    ALA  48           H        ALA  48 -23.095  11.455  -6.391
  354    HA   ALA  48           HA       ALA  48 -21.551  10.506  -8.639
  355   1HB   ALA  48          HB1       ALA  48 -20.708  12.250  -7.108
  356   2HB   ALA  48          HB2       ALA  48 -20.694  11.088  -5.761
  357   3HB   ALA  48          HB3       ALA  48 -19.619  10.851  -7.146
  358    H    VAL  49           H        VAL  49 -22.583   9.172  -5.465
  359    HA   VAL  49           HA       VAL  49 -21.098   6.753  -5.634
  360    HB   VAL  49           HB       VAL  49 -23.780   7.138  -4.256
  361   1HG1  VAL  49          HG11      VAL  49 -22.961   5.255  -2.850
  362   2HG1  VAL  49          HG12      VAL  49 -23.138   4.765  -4.539
  363   3HG1  VAL  49          HG13      VAL  49 -21.525   5.108  -3.888
  364   1HG2  VAL  49          HG21      VAL  49 -20.931   7.563  -3.271
  365   2HG2  VAL  49          HG22      VAL  49 -22.201   8.792  -3.402
  366   3HG2  VAL  49          HG23      VAL  49 -22.368   7.497  -2.220
  367    H    LYS  50           H        LYS  50 -24.543   7.459  -6.635
  368    HA   LYS  50           HA       LYS  50 -24.868   4.820  -7.607
  369   1HB   LYS  50          HB2       LYS  50 -26.646   6.486  -6.896
  370   2HB   LYS  50          HB3       LYS  50 -26.422   7.296  -8.457
  371   1HG   LYS  50          HG2       LYS  50 -26.996   5.146  -9.609
  372   2HG   LYS  50          HG3       LYS  50 -27.231   4.363  -8.048
  373   1HD   LYS  50          HD2       LYS  50 -28.724   6.862  -8.904
  374   2HD   LYS  50          HD3       LYS  50 -29.324   5.247  -9.283
  375   1HE   LYS  50          HE2       LYS  50 -28.798   6.310  -6.461
  376   2HE   LYS  50          HE3       LYS  50 -30.369   6.330  -7.260
  377   1HZ   LYS  50          HZ1       LYS  50 -30.172   4.426  -5.821
  378   2HZ   LYS  50          HZ2       LYS  50 -30.302   3.912  -7.358
  379   3HZ   LYS  50          HZ3       LYS  50 -28.853   3.873  -6.597
  380    H    ALA  51           H        ALA  51 -23.919   7.867  -9.309
  381    HA   ALA  51           HA       ALA  51 -23.980   6.831 -11.916
  382   1HB   ALA  51          HB1       ALA  51 -22.380   8.636 -12.466
  383   2HB   ALA  51          HB2       ALA  51 -23.664   9.234 -11.404
  384   3HB   ALA  51          HB3       ALA  51 -22.044   8.880 -10.742
  385    H    MET  52           H        MET  52 -21.249   6.736  -9.510
  386    HA   MET  52           HA       MET  52 -19.529   5.317 -11.350
  387   1HB   MET  52          HB2       MET  52 -19.445   5.763  -8.350
  388   2HB   MET  52          HB3       MET  52 -18.161   4.982  -9.281
  389   1HG   MET  52          HG2       MET  52 -19.135   7.834  -9.578
  390   2HG   MET  52          HG3       MET  52 -17.599   7.303  -8.910
  391   1HE   MET  52          HE1       MET  52 -16.962   4.936 -11.231
  392   2HE   MET  52          HE2       MET  52 -15.783   5.873 -12.136
  393   3HE   MET  52          HE3       MET  52 -15.787   5.954 -10.367
  394    H    LYS  53           H        LYS  53 -21.751   4.293  -8.697
  395    HA   LYS  53           HA       LYS  53 -20.926   1.599  -8.664
  396   1HB   LYS  53          HB2       LYS  53 -22.193   2.835  -6.918
  397   2HB   LYS  53          HB3       LYS  53 -23.635   2.789  -7.943
  398   1HG   LYS  53          HG2       LYS  53 -23.687   0.342  -7.809
  399   2HG   LYS  53          HG3       LYS  53 -22.159   0.316  -6.909
  400   1HD   LYS  53          HD2       LYS  53 -24.680   1.736  -5.952
  401   2HD   LYS  53          HD3       LYS  53 -24.263   0.067  -5.510
  402   1HE   LYS  53          HE2       LYS  53 -22.128   0.869  -4.500
  403   2HE   LYS  53          HE3       LYS  53 -22.553   2.528  -4.916
  404   1HZ   LYS  53          HZ1       LYS  53 -24.512   2.289  -3.454
  405   2HZ   LYS  53          HZ2       LYS  53 -23.997   0.798  -3.005
  406   3HZ   LYS  53          HZ3       LYS  53 -23.088   2.120  -2.665
  407    H    GLU  54           H        GLU  54 -23.235   3.277 -10.790
  408    HA   GLU  54           HA       GLU  54 -24.232   0.939 -12.074
  409   1HB   GLU  54          HB2       GLU  54 -24.026   3.863 -12.873
  410   2HB   GLU  54          HB3       GLU  54 -24.676   2.666 -13.987
  411   1HG   GLU  54          HG2       GLU  54 -25.751   3.080 -11.171
  412   2HG   GLU  54          HG3       GLU  54 -26.370   3.914 -12.591
  413    H    VAL  55           H        VAL  55 -21.085   2.439 -12.277
  414    HA   VAL  55           HA       VAL  55 -20.362   0.934 -14.717
  415    HB   VAL  55           HB       VAL  55 -18.431   2.507 -12.974
  416   1HG1  VAL  55          HG11      VAL  55 -17.458   1.187 -14.844
  417   2HG1  VAL  55          HG12      VAL  55 -18.534   2.016 -15.988
  418   3HG1  VAL  55          HG13      VAL  55 -17.277   2.911 -15.104
  419   1HG2  VAL  55          HG21      VAL  55 -20.197   4.122 -13.374
  420   2HG2  VAL  55          HG22      VAL  55 -18.856   4.495 -14.440
  421   3HG2  VAL  55          HG23      VAL  55 -20.303   3.670 -15.085
  422    H    GLY  56           H        GLY  56 -20.829   0.169 -11.474
  423   1HA   GLY  56          HA1       GLY  56 -20.204  -1.648 -10.234
  424   2HA   GLY  56          HA2       GLY  56 -19.095  -2.174 -11.511
  425    H    ILE  57           H        ILE  57 -18.913   1.156 -10.277
  426    HA   ILE  57           HA       ILE  57 -16.363   0.503  -8.861
  427    HB   ILE  57           HB       ILE  57 -17.181   3.005 -10.358
  428   1HG1  ILE  57          HG12      ILE  57 -14.969   0.988 -10.967
  429   2HG1  ILE  57          HG13      ILE  57 -16.519   1.046 -11.804
  430   1HG2  ILE  57          HG21      ILE  57 -14.900   3.835  -9.787
  431   2HG2  ILE  57          HG22      ILE  57 -15.818   3.518  -8.329
  432   3HG2  ILE  57          HG23      ILE  57 -14.590   2.356  -8.859
  433   1HD1  ILE  57          HD11      ILE  57 -14.878   2.122 -13.172
  434   2HD1  ILE  57          HD12      ILE  57 -16.035   3.333 -12.601
  435   3HD1  ILE  57          HD13      ILE  57 -14.411   3.226 -11.867
  436    H    ASP  58           H        ASP  58 -17.211   0.122  -6.901
  437    HA   ASP  58           HA       ASP  58 -19.428   1.690  -5.830
  438   1HB   ASP  58          HB2       ASP  58 -19.340  -0.678  -5.357
  439   2HB   ASP  58          HB3       ASP  58 -17.742  -0.516  -4.607
  440    H    ILE  59           H        ILE  59 -18.528   3.817  -5.828
  441    HA   ILE  59           HA       ILE  59 -16.269   4.378  -4.109
  442    HB   ILE  59           HB       ILE  59 -16.491   6.630  -4.689
  443   1HG1  ILE  59          HG12      ILE  59 -19.100   6.202  -6.147
  444   2HG1  ILE  59          HG13      ILE  59 -19.046   6.743  -4.470
  445   1HG2  ILE  59          HG21      ILE  59 -17.191   5.097  -7.198
  446   2HG2  ILE  59          HG22      ILE  59 -16.257   6.599  -7.070
  447   3HG2  ILE  59          HG23      ILE  59 -15.590   5.099  -6.416
  448   1HD1  ILE  59          HD11      ILE  59 -17.903   8.238  -6.848
  449   2HD1  ILE  59          HD12      ILE  59 -19.238   8.706  -5.776
  450   3HD1  ILE  59          HD13      ILE  59 -17.587   8.664  -5.152
  451    H    SER  60           H        SER  60 -19.210   3.322  -3.058
  452    HA   SER  60           HA       SER  60 -20.178   5.346  -1.397
  453   1HB   SER  60          HB2       SER  60 -20.166   2.406  -0.643
  454   2HB   SER  60          HB3       SER  60 -21.326   3.652  -0.156
  455    HG   SER  60           HG       SER  60 -20.928   2.357  -2.622
  456    H    ASN  61           H        ASN  61 -17.337   3.321  -0.975
  457    HA   ASN  61           HA       ASN  61 -16.994   3.712   1.849
  458   1HB   ASN  61          HB2       ASN  61 -16.079   1.778   0.578
  459   2HB   ASN  61          HB3       ASN  61 -15.008   2.872  -0.303
  460   1HD2  ASN  61          HD22      ASN  61 -12.919   2.799   0.515
  461   2HD2  ASN  61          HD21      ASN  61 -12.514   2.565   2.194
  462    H    GLN  62           H        GLN  62 -16.407   5.839  -0.851
  463    HA   GLN  62           HA       GLN  62 -14.064   7.141   0.198
  464   1HB   GLN  62          HB2       GLN  62 -16.022   8.044  -1.949
  465   2HB   GLN  62          HB3       GLN  62 -14.453   8.781  -1.563
  466   1HG   GLN  62          HG2       GLN  62 -13.318   6.657  -2.114
  467   2HG   GLN  62          HG3       GLN  62 -14.864   5.962  -2.608
  468   1HE2  GLN  62          HE22      GLN  62 -14.939   9.234  -3.660
  469   2HE2  GLN  62          HE21      GLN  62 -14.434   8.891  -5.311
  470    H    THR  63           H        THR  63 -14.257   9.634   0.527
  471    HA   THR  63           HA       THR  63 -16.737  10.616   1.631
  472    HB   THR  63           HB       THR  63 -15.377  11.491   3.691
  473    HG1  THR  63           HG1      THR  63 -13.348  10.670   3.103
  474   1HG2  THR  63          HG21      THR  63 -16.069   9.668   5.078
  475   2HG2  THR  63          HG22      THR  63 -17.278   9.842   3.793
  476   3HG2  THR  63          HG23      THR  63 -16.080   8.533   3.715
  477    H    SER  64           H        SER  64 -16.600  13.014   1.947
  478    HA   SER  64           HA       SER  64 -14.661  14.196   0.043
  479   1HB   SER  64          HB2       SER  64 -17.374  15.194   0.977
  480   2HB   SER  64          HB3       SER  64 -16.371  15.887  -0.312
  481    HG   SER  64           HG       SER  64 -18.183  14.363  -0.838
  482    H    ASP  65           H        ASP  65 -13.731  16.195   0.559
  483    HA   ASP  65           HA       ASP  65 -13.831  17.372   3.236
  484   1HB   ASP  65          HB2       ASP  65 -12.096  15.452   3.267
  485   2HB   ASP  65          HB3       ASP  65 -11.200  16.386   2.054
  486    H    ILE  66           H        ILE  66 -12.505  19.456   3.188
  487    HA   ILE  66           HA       ILE  66 -12.467  20.600   0.454
  488    HB   ILE  66           HB       ILE  66 -12.650  22.690   1.398
  489   1HG1  ILE  66          HG12      ILE  66 -11.894  21.522   4.101
  490   2HG1  ILE  66          HG13      ILE  66 -10.964  22.670   3.114
  491   1HG2  ILE  66          HG21      ILE  66 -14.658  21.093   1.633
  492   2HG2  ILE  66          HG22      ILE  66 -14.325  21.075   3.364
  493   3HG2  ILE  66          HG23      ILE  66 -14.734  22.601   2.562
  494   1HD1  ILE  66          HD11      ILE  66 -11.997  23.945   4.843
  495   2HD1  ILE  66          HD12      ILE  66 -12.919  24.283   3.349
  496   3HD1  ILE  66          HD13      ILE  66 -13.568  23.168   4.576
  497    H    ILE  67           H        ILE  67 -10.506  22.008   0.009
  498    HA   ILE  67           HA       ILE  67  -8.346  20.294  -0.084
  499    HB   ILE  67           HB       ILE  67  -8.838  21.969  -1.700
  500   1HG1  ILE  67          HG12      ILE  67  -6.550  20.933  -1.423
  501   2HG1  ILE  67          HG13      ILE  67  -6.721  22.319  -2.476
  502   1HG2  ILE  67          HG21      ILE  67  -7.855  24.101   0.222
  503   2HG2  ILE  67          HG22      ILE  67  -8.193  24.317  -1.504
  504   3HG2  ILE  67          HG23      ILE  67  -9.516  23.888  -0.411
  505   1HD1  ILE  67          HD11      ILE  67  -5.687  23.814  -0.919
  506   2HD1  ILE  67          HD12      ILE  67  -5.612  22.581   0.341
  507   3HD1  ILE  67          HD13      ILE  67  -4.648  22.394  -1.126
  508    H    ASP  68           H        ASP  68  -6.598  19.818   0.917
  509    HA   ASP  68           HA       ASP  68  -5.817  21.356   3.345
  510   1HB   ASP  68          HB2       ASP  68  -6.856  19.166   3.906
  511   2HB   ASP  68          HB3       ASP  68  -5.618  18.349   2.939
  512    H    SER  69           H        SER  69  -3.951  22.366   2.893
  513    HA   SER  69           HA       SER  69  -2.370  21.872   0.620
  514   1HB   SER  69          HB2       SER  69  -0.732  23.382   1.980
  515   2HB   SER  69          HB3       SER  69  -2.261  24.034   1.382
  516    HG   SER  69           HG       SER  69  -1.887  24.565   3.582
  517    H    ASP  70           H        ASP  70  -2.407  20.306   3.766
  518    HA   ASP  70           HA       ASP  70   0.288  19.443   3.890
  519   1HB   ASP  70          HB2       ASP  70  -1.273  19.458   5.807
  520   2HB   ASP  70          HB3       ASP  70  -2.183  18.140   5.053
  521    H    ILE  71           H        ILE  71  -2.395  18.265   1.933
  522    HA   ILE  71           HA       ILE  71  -0.798  15.815   1.259
  523    HB   ILE  71           HB       ILE  71  -3.727  16.471   0.808
  524   1HG1  ILE  71          HG12      ILE  71  -2.262  14.292   2.379
  525   2HG1  ILE  71          HG13      ILE  71  -2.979  15.741   3.103
  526   1HG2  ILE  71          HG21      ILE  71  -2.089  14.057  -0.117
  527   2HG2  ILE  71          HG22      ILE  71  -3.864  14.212  -0.232
  528   3HG2  ILE  71          HG23      ILE  71  -2.837  15.270  -1.178
  529   1HD1  ILE  71          HD11      ILE  71  -5.219  15.008   2.258
  530   2HD1  ILE  71          HD12      ILE  71  -4.466  13.461   1.769
  531   3HD1  ILE  71          HD13      ILE  71  -4.481  13.941   3.474
  532    H    LEU  72           H        LEU  72  -2.450  18.658  -0.146
  533    HA   LEU  72           HA       LEU  72  -1.847  18.397  -2.824
  534   1HB   LEU  72          HB2       LEU  72  -3.173  20.178  -1.702
  535   2HB   LEU  72          HB3       LEU  72  -1.690  20.798  -1.005
  536    HG   LEU  72           HG       LEU  72  -1.053  20.973  -3.675
  537   1HD1  LEU  72          HD11      LEU  72  -4.044  21.587  -3.435
  538   2HD1  LEU  72          HD12      LEU  72  -3.012  21.947  -4.830
  539   3HD1  LEU  72          HD13      LEU  72  -3.337  20.267  -4.382
  540   1HD2  LEU  72          HD21      LEU  72  -0.754  22.702  -1.993
  541   2HD2  LEU  72          HD22      LEU  72  -1.646  23.387  -3.369
  542   3HD2  LEU  72          HD23      LEU  72  -2.505  22.941  -1.872
  543    H    ASN  73           H        ASN  73   0.317  19.897  -0.327
  544    HA   ASN  73           HA       ASN  73   2.426  20.417  -2.123
  545   1HB   ASN  73          HB2       ASN  73   3.669  21.138  -0.319
  546   2HB   ASN  73          HB3       ASN  73   2.026  21.341   0.291
  547   1HD2  ASN  73          HD22      ASN  73   1.201  19.695   1.753
  548   2HD2  ASN  73          HD21      ASN  73   2.285  18.652   2.666
  549    H    ASN  74           H        ASN  74   1.481  17.322  -0.948
  550    HA   ASN  74           HA       ASN  74   4.239  16.189  -1.195
  551   1HB   ASN  74          HB2       ASN  74   1.720  15.220   0.225
  552   2HB   ASN  74          HB3       ASN  74   3.062  14.152  -0.143
  553   1HD2  ASN  74          HD22      ASN  74   1.852  16.228   2.250
  554   2HD2  ASN  74          HD21      ASN  74   3.340  16.385   3.154
  555    H    ALA  75           H        ALA  75   1.152  16.477  -2.770
  556    HA   ALA  75           HA       ALA  75   1.022  13.927  -3.946
  557   1HB   ALA  75          HB1       ALA  75  -0.668  14.914  -5.387
  558   2HB   ALA  75          HB2       ALA  75  -0.878  15.505  -3.728
  559   3HB   ALA  75          HB3       ALA  75  -0.125  16.553  -4.955
  560    H    ASP  76           H        ASP  76   1.735  13.158  -6.012
  561    HA   ASP  76           HA       ASP  76   4.068  14.460  -7.223
  562   1HB   ASP  76          HB2       ASP  76   3.752  11.990  -7.371
  563   2HB   ASP  76          HB3       ASP  76   2.246  12.242  -8.268
  564    H    LEU  77           H        LEU  77   0.576  14.318  -7.631
  565    HA   LEU  77           HA       LEU  77   0.618  16.379  -9.748
  566   1HB   LEU  77          HB2       LEU  77   0.558  14.272 -10.900
  567   2HB   LEU  77          HB3       LEU  77  -0.637  13.624  -9.776
  568    HG   LEU  77           HG       LEU  77  -2.337  15.193 -10.632
  569   1HD1  LEU  77          HD11      LEU  77  -0.383  15.859 -12.878
  570   2HD1  LEU  77          HD12      LEU  77  -2.048  16.426 -12.690
  571   3HD1  LEU  77          HD13      LEU  77  -0.813  16.986 -11.575
  572   1HD2  LEU  77          HD21      LEU  77  -2.682  13.985 -12.749
  573   2HD2  LEU  77          HD22      LEU  77  -0.963  13.532 -12.760
  574   3HD2  LEU  77          HD23      LEU  77  -2.045  12.882 -11.518
  575    H    VAL  78           H        VAL  78  -1.022  17.705  -9.675
  576    HA   VAL  78           HA       VAL  78  -3.345  17.211  -7.882
  577    HB   VAL  78           HB       VAL  78  -1.727  19.730  -8.419
  578   1HG1  VAL  78          HG11      VAL  78  -3.408  20.962  -7.041
  579   2HG1  VAL  78          HG12      VAL  78  -4.120  20.371  -8.540
  580   3HG1  VAL  78          HG13      VAL  78  -4.443  19.516  -7.014
  581   1HG2  VAL  78          HG21      VAL  78  -0.952  18.227  -6.575
  582   2HG2  VAL  78          HG22      VAL  78  -1.498  19.794  -5.979
  583   3HG2  VAL  78          HG23      VAL  78  -2.540  18.357  -5.811
  584    H    VAL  79           H        VAL  79  -5.283  17.332  -9.003
  585    HA   VAL  79           HA       VAL  79  -5.114  18.204 -11.864
  586    HB   VAL  79           HB       VAL  79  -6.959  16.066 -10.766
  587   1HG1  VAL  79          HG11      VAL  79  -7.756  17.284 -12.772
  588   2HG1  VAL  79          HG12      VAL  79  -6.238  16.908 -13.608
  589   3HG1  VAL  79          HG13      VAL  79  -7.360  15.602 -13.152
  590   1HG2  VAL  79          HG21      VAL  79  -4.342  15.742 -12.278
  591   2HG2  VAL  79          HG22      VAL  79  -4.717  15.144 -10.642
  592   3HG2  VAL  79          HG23      VAL  79  -5.541  14.453 -12.040
  593    H    THR  80           H        THR  80  -6.000  20.147 -11.975
  594    HA   THR  80           HA       THR  80  -8.174  20.919 -10.138
  595    HB   THR  80           HB       THR  80  -7.728  23.165 -11.508
  596    HG1  THR  80           HG1      THR  80  -5.996  22.104 -12.814
  597   1HG2  THR  80          HG21      THR  80  -7.468  22.917  -9.113
  598   2HG2  THR  80          HG22      THR  80  -6.003  21.929  -9.314
  599   3HG2  THR  80          HG23      THR  80  -5.991  23.647  -9.735
  600    H    LEU  81           H        LEU  81  -9.820  19.716 -10.783
  601    HA   LEU  81           HA       LEU  81 -10.409  18.951 -13.442
  602   1HB   LEU  81          HB2       LEU  81 -12.033  18.948 -10.882
  603   2HB   LEU  81          HB3       LEU  81 -12.611  18.199 -12.364
  604    HG   LEU  81           HG       LEU  81 -10.066  17.373 -10.902
  605   1HD1  LEU  81          HD11      LEU  81 -11.380  15.414 -10.160
  606   2HD1  LEU  81          HD12      LEU  81 -12.055  16.924  -9.532
  607   3HD1  LEU  81          HD13      LEU  81 -12.836  16.101 -10.903
  608   1HD2  LEU  81          HD21      LEU  81  -9.990  16.747 -13.279
  609   2HD2  LEU  81          HD22      LEU  81 -10.266  15.307 -12.300
  610   3HD2  LEU  81          HD23      LEU  81 -11.612  16.053 -13.178
  611    H    CYS  82           H        CYS  82 -11.023  22.113 -12.175
  612    HA   CYS  82           HA       CYS  82 -12.713  22.585 -14.457
  613   1HB   CYS  82          HB2       CYS  82 -14.376  21.845 -12.808
  614   2HB   CYS  82          HB3       CYS  82 -13.891  23.160 -11.710
  615    HG   CYS  82           HG       CYS  82 -16.213  23.222 -13.397
  616    H    GLY  83           H        GLY  83 -13.045  24.889 -14.830
  617   1HA   GLY  83          HA1       GLY  83 -10.636  26.206 -15.042
  618   2HA   GLY  83          HA2       GLY  83 -12.216  26.955 -15.212
  619    H    ASP  84           H        ASP  84 -13.361  27.238 -12.919
  620    HA   ASP  84           HA       ASP  84 -11.868  29.303 -11.657
  621   1HB   ASP  84          HB2       ASP  84 -14.322  29.273 -11.814
  622   2HB   ASP  84          HB3       ASP  84 -14.389  27.875 -10.740
  623    H    ALA  85           H        ALA  85 -12.108  25.866 -10.935
  624    HA   ALA  85           HA       ALA  85 -11.521  25.965  -8.167
  625   1HB   ALA  85          HB1       ALA  85 -11.061  23.623  -8.336
  626   2HB   ALA  85          HB2       ALA  85 -12.361  23.942  -9.494
  627   3HB   ALA  85          HB3       ALA  85 -10.693  23.727 -10.064
  628    H    ALA  86           H        ALA  86  -9.452  26.171 -11.018
  629    HA   ALA  86           HA       ALA  86  -6.975  25.532  -9.789
  630   1HB   ALA  86          HB1       ALA  86  -7.634  27.246 -12.215
  631   2HB   ALA  86          HB2       ALA  86  -6.019  26.649 -11.809
  632   3HB   ALA  86          HB3       ALA  86  -7.312  25.490 -12.197
  633    H    ASP  87           H        ASP  87  -8.892  28.450  -9.504
  634    HA   ASP  87           HA       ASP  87  -6.798  30.295  -8.924
  635   1HB   ASP  87          HB2       ASP  87  -9.164  30.912  -9.423
  636   2HB   ASP  87          HB3       ASP  87  -9.653  30.174  -7.887
  637    H    LYS  88           H        LYS  88  -8.350  27.755  -7.036
  638    HA   LYS  88           HA       LYS  88  -7.808  28.978  -4.466
  639   1HB   LYS  88          HB2       LYS  88  -9.750  27.527  -4.965
  640   2HB   LYS  88          HB3       LYS  88  -8.661  26.151  -5.206
  641   1HG   LYS  88          HG2       LYS  88  -9.732  26.003  -3.073
  642   2HG   LYS  88          HG3       LYS  88  -8.005  26.249  -2.839
  643   1HD   LYS  88          HD2       LYS  88  -8.366  28.602  -2.249
  644   2HD   LYS  88          HD3       LYS  88 -10.093  28.476  -2.676
  645   1HE   LYS  88          HE2       LYS  88 -10.407  26.762  -0.934
  646   2HE   LYS  88          HE3       LYS  88  -8.692  26.846  -0.514
  647   1HZ   LYS  88          HZ1       LYS  88 -10.625  29.080  -0.216
  648   2HZ   LYS  88          HZ2       LYS  88 -10.037  28.171   1.001
  649   3HZ   LYS  88          HZ3       LYS  88  -9.039  29.154   0.171
  650    H    CYS  89           H        CYS  89  -6.061  26.594  -6.409
  651    HA   CYS  89           HA       CYS  89  -4.764  25.115  -4.565
  652   1HB   CYS  89          HB2       CYS  89  -3.657  26.187  -7.177
  653   2HB   CYS  89          HB3       CYS  89  -2.878  24.917  -6.215
  654    HG   CYS  89           HG       CYS  89  -4.172  23.775  -8.149
  655    HA   PRO  90           HA       PRO  90  -2.868  28.480  -2.377
  656   1HB   PRO  90          HB2       PRO  90  -1.914  27.172  -0.142
  657   2HB   PRO  90          HB3       PRO  90  -3.599  27.717  -0.434
  658   1HG   PRO  90          HG2       PRO  90  -2.442  24.963  -0.818
  659   2HG   PRO  90          HG3       PRO  90  -4.032  25.419  -0.111
  660   1HD   PRO  90          HD2       PRO  90  -3.796  24.574  -2.693
  661   2HD   PRO  90          HD3       PRO  90  -4.976  25.812  -2.202
  662    H    MET  91           H        MET  91  -0.935  25.556  -3.044
  663    HA   MET  91           HA       MET  91   0.998  27.136  -4.387
  664   1HB   MET  91          HB2       MET  91   1.621  27.048  -1.686
  665   2HB   MET  91          HB3       MET  91   2.441  25.600  -2.245
  666   1HG   MET  91          HG2       MET  91   2.778  28.430  -3.307
  667   2HG   MET  91          HG3       MET  91   3.908  27.554  -2.280
  668   1HE   MET  91          HE1       MET  91   5.924  28.172  -3.839
  669   2HE   MET  91          HE2       MET  91   5.933  27.918  -5.598
  670   3HE   MET  91          HE3       MET  91   4.815  29.098  -4.878
  671    H    THR  92           H        THR  92   1.565  25.794  -6.108
  672    HA   THR  92           HA       THR  92   1.870  22.890  -5.570
  673    HB   THR  92           HB       THR  92   0.915  22.412  -7.825
  674    HG1  THR  92           HG1      THR  92   0.847  24.662  -8.521
  675   1HG2  THR  92          HG21      THR  92  -0.261  21.985  -5.683
  676   2HG2  THR  92          HG22      THR  92  -0.993  23.599  -5.771
  677   3HG2  THR  92          HG23      THR  92  -1.380  22.377  -6.990
  678    HA   PRO  93           HA       PRO  93   5.679  24.873  -7.212
  679   1HB   PRO  93          HB2       PRO  93   7.501  23.464  -5.710
  680   2HB   PRO  93          HB3       PRO  93   6.561  24.838  -5.063
  681   1HG   PRO  93          HG2       PRO  93   5.977  21.876  -4.803
  682   2HG   PRO  93          HG3       PRO  93   6.002  23.116  -3.508
  683   1HD   PRO  93          HD2       PRO  93   3.699  22.313  -4.716
  684   2HD   PRO  93          HD3       PRO  93   3.932  24.000  -4.188
  685    HA   PRO  94           HA       PRO  94   6.910  22.049 -10.365
  686   1HB   PRO  94          HB2       PRO  94   9.662  21.836  -9.123
  687   2HB   PRO  94          HB3       PRO  94   9.228  22.001 -10.857
  688   1HG   PRO  94          HG2       PRO  94   9.979  24.190  -9.469
  689   2HG   PRO  94          HG3       PRO  94   8.536  24.283 -10.533
  690   1HD   PRO  94          HD2       PRO  94   8.655  23.958  -7.538
  691   2HD   PRO  94          HD3       PRO  94   7.548  24.963  -8.521
  692    H    HIS  95           H        HIS  95   7.824  20.869  -7.119
  693    HA   HIS  95           HA       HIS  95   8.109  18.103  -7.815
  694   1HB   HIS  95          HB2       HIS  95   7.347  19.356  -5.147
  695   2HB   HIS  95          HB3       HIS  95   7.996  17.739  -5.396
  696    HD1  HIS  95           HD1      HIS  95  10.626  17.919  -6.752
  697    HD2  HIS  95           HD2      HIS  95   9.140  21.069  -4.381
  698    HE1  HIS  95           HE1      HIS  95  12.632  19.349  -6.124
  699    H    VAL  96           H        VAL  96   5.344  20.026  -7.868
  700    HA   VAL  96           HA       VAL  96   3.397  17.823  -7.424
  701    HB   VAL  96           HB       VAL  96   3.184  20.744  -6.535
  702   1HG1  VAL  96          HG11      VAL  96   1.039  19.643  -7.099
  703   2HG1  VAL  96          HG12      VAL  96   1.407  18.358  -5.931
  704   3HG1  VAL  96          HG13      VAL  96   1.167  20.029  -5.377
  705   1HG2  VAL  96          HG21      VAL  96   3.297  19.924  -4.206
  706   2HG2  VAL  96          HG22      VAL  96   3.775  18.323  -4.801
  707   3HG2  VAL  96          HG23      VAL  96   4.822  19.732  -5.067
  708    H    LYS  97           H        LYS  97   3.420  17.538  -9.707
  709    HA   LYS  97           HA       LYS  97   3.280  19.816 -11.483
  710   1HB   LYS  97          HB2       LYS  97   3.432  18.317 -13.232
  711   2HB   LYS  97          HB3       LYS  97   4.293  17.490 -11.945
  712   1HG   LYS  97          HG2       LYS  97   1.913  16.342 -11.541
  713   2HG   LYS  97          HG3       LYS  97   1.628  16.874 -13.210
  714   1HD   LYS  97          HD2       LYS  97   3.762  15.665 -13.865
  715   2HD   LYS  97          HD3       LYS  97   3.877  15.099 -12.186
  716   1HE   LYS  97          HE2       LYS  97   1.412  14.234 -12.615
  717   2HE   LYS  97          HE3       LYS  97   1.838  14.368 -14.321
  718   1HZ   LYS  97          HZ1       LYS  97   3.203  12.751 -12.225
  719   2HZ   LYS  97          HZ2       LYS  97   2.341  12.162 -13.492
  720   3HZ   LYS  97          HZ3       LYS  97   3.775  12.894 -13.769
  721    H    ARG  98           H        ARG  98   1.436  19.961 -13.065
  722    HA   ARG  98           HA       ARG  98  -1.170  19.724 -11.652
  723   1HB   ARG  98          HB2       ARG  98   0.115  22.113 -13.025
  724   2HB   ARG  98          HB3       ARG  98  -1.627  22.011 -12.828
  725   1HG   ARG  98          HG2       ARG  98   0.293  21.762 -10.473
  726   2HG   ARG  98          HG3       ARG  98  -0.325  23.307 -11.036
  727   1HD   ARG  98          HD2       ARG  98  -2.096  20.980 -10.163
  728   2HD   ARG  98          HD3       ARG  98  -1.615  22.310  -9.113
  729    HE   ARG  98           HE       ARG  98  -3.677  22.311 -11.145
  730   1HH1  ARG  98          HH21      ARG  98  -1.500  24.459  -9.260
  731   2HH1  ARG  98          HH22      ARG  98  -2.335  25.888  -9.741
  732   1HH2  ARG  98          HH11      ARG  98  -4.749  24.147 -11.709
  733   2HH2  ARG  98          HH12      ARG  98  -4.220  25.729 -11.194
  734    H    GLU  99           H        GLU  99  -2.969  19.495 -12.912
  735    HA   GLU  99           HA       GLU  99  -2.745  19.516 -15.810
  736   1HB   GLU  99          HB2       GLU  99  -2.333  17.136 -15.102
  737   2HB   GLU  99          HB3       GLU  99  -3.894  17.133 -14.275
  738   1HG   GLU  99          HG2       GLU  99  -3.878  16.019 -16.499
  739   2HG   GLU  99          HG3       GLU  99  -5.076  17.307 -16.334
  740    H    HIS 100           H        HIS 100  -4.980  19.876 -16.710
  741    HA   HIS 100           HA       HIS 100  -6.852  20.959 -14.676
  742   1HB   HIS 100          HB2       HIS 100  -5.036  22.631 -15.158
  743   2HB   HIS 100          HB3       HIS 100  -5.500  22.605 -16.855
  744    HD1  HIS 100           HD1      HIS 100  -8.185  22.857 -14.058
  745    HD2  HIS 100           HD2      HIS 100  -6.067  25.191 -16.858
  746    HE1  HIS 100           HE1      HIS 100  -9.155  25.191 -13.937
  747    H    TRP 101           H        TRP 101  -8.943  21.041 -15.304
  748    HA   TRP 101           HA       TRP 101  -9.703  20.712 -18.144
  749   1HB   TRP 101          HB2       TRP 101 -10.883  19.003 -15.956
  750   2HB   TRP 101          HB3       TRP 101 -11.109  18.884 -17.701
  751    HD1  TRP 101           HD1      TRP 101  -8.907  17.756 -14.899
  752    HE1  TRP 101           HE1      TRP 101  -7.074  16.176 -15.695
  753    HE3  TRP 101           HE3      TRP 101  -9.442  18.403 -19.952
  754    HZ2  TRP 101           HZ2      TRP 101  -5.939  15.318 -18.213
  755    HZ3  TRP 101           HZ3      TRP 101  -7.947  17.203 -21.525
  756    HH2  TRP 101           HH2      TRP 101  -6.194  15.648 -20.662
  757    H    GLY 102           H        GLY 102 -12.491  20.583 -17.749
  758   1HA   GLY 102          HA1       GLY 102 -13.111  23.179 -16.394
  759   2HA   GLY 102          HA2       GLY 102 -13.417  22.916 -18.097
  760    H    PHE 103           H        PHE 103 -14.008  20.620 -15.329
  761    HA   PHE 103           HA       PHE 103 -16.550  19.995 -16.572
  762   1HB   PHE 103          HB2       PHE 103 -15.095  18.879 -14.160
  763   2HB   PHE 103          HB3       PHE 103 -16.702  18.339 -14.652
  764    HD1  PHE 103           HD1      PHE 103 -13.130  18.184 -15.458
  765    HD2  PHE 103           HD2      PHE 103 -17.102  17.392 -16.939
  766    HE1  PHE 103           HE1      PHE 103 -12.164  16.953 -17.362
  767    HE2  PHE 103           HE2      PHE 103 -16.140  16.132 -18.838
  768    HZ   PHE 103           HZ       PHE 103 -13.681  15.932 -19.084
  769    H    ASP 104           H        ASP 104 -18.406  20.928 -16.245
  770    HA   ASP 104           HA       ASP 104 -19.036  22.621 -13.958
  771   1HB   ASP 104          HB2       ASP 104 -19.998  23.005 -16.222
  772   2HB   ASP 104          HB3       ASP 104 -20.770  21.412 -16.148
  773    H    ASP 105           H        ASP 105 -20.741  22.077 -12.387
  774    HA   ASP 105           HA       ASP 105 -20.153  19.458 -11.362
  775   1HB   ASP 105          HB2       ASP 105 -20.455  21.581  -9.994
  776   2HB   ASP 105          HB3       ASP 105 -22.193  21.350 -10.190
  777    HA   PRO 106           HA       PRO 106 -23.492  17.643 -13.547
  778   1HB   PRO 106          HB2       PRO 106 -23.440  15.042 -12.575
  779   2HB   PRO 106          HB3       PRO 106 -22.261  15.705 -13.742
  780   1HG   PRO 106          HG2       PRO 106 -21.993  15.447 -10.739
  781   2HG   PRO 106          HG3       PRO 106 -20.794  15.027 -12.004
  782   1HD   PRO 106          HD2       PRO 106 -20.684  17.378 -10.638
  783   2HD   PRO 106          HD3       PRO 106 -20.254  17.291 -12.376
  784    H    ALA 107           H        ALA 107 -23.499  17.465  -9.989
  785    HA   ALA 107           HA       ALA 107 -26.170  16.486  -9.764
  786   1HB   ALA 107          HB1       ALA 107 -24.523  16.339  -7.949
  787   2HB   ALA 107          HB2       ALA 107 -24.527  18.110  -7.783
  788   3HB   ALA 107          HB3       ALA 107 -25.995  17.181  -7.421
  789    H    ARG 108           H        ARG 108 -24.957  19.610 -10.649
  790    HA   ARG 108           HA       ARG 108 -27.506  20.972  -9.965
  791   1HB   ARG 108          HB2       ARG 108 -24.721  22.006 -10.698
  792   2HB   ARG 108          HB3       ARG 108 -26.154  23.026 -10.614
  793   1HG   ARG 108          HG2       ARG 108 -25.288  23.345  -8.530
  794   2HG   ARG 108          HG3       ARG 108 -26.512  22.104  -8.247
  795   1HD   ARG 108          HD2       ARG 108 -24.643  20.383  -8.286
  796   2HD   ARG 108          HD3       ARG 108 -23.493  21.725  -8.399
  797    HE   ARG 108           HE       ARG 108 -25.135  22.281  -6.215
  798   1HH1  ARG 108          HH21      ARG 108 -22.794  19.715  -7.092
  799   2HH1  ARG 108          HH22      ARG 108 -22.420  19.360  -5.427
  800   1HH2  ARG 108          HH11      ARG 108 -24.626  21.721  -4.036
  801   2HH2  ARG 108          HH12      ARG 108 -23.487  20.447  -3.715
  802    H    ALA 109           H        ALA 109 -26.358  19.178 -12.533
  803    HA   ALA 109           HA       ALA 109 -27.146  20.772 -14.747
  804   1HB   ALA 109          HB1       ALA 109 -27.266  17.743 -14.339
  805   2HB   ALA 109          HB2       ALA 109 -27.341  18.590 -15.898
  806   3HB   ALA 109          HB3       ALA 109 -25.849  18.645 -14.928
  807    H    GLN 110           H        GLN 110 -29.208  20.713 -15.828
  808    HA   GLN 110           HA       GLN 110 -31.542  19.684 -14.407
  809   1HB   GLN 110          HB2       GLN 110 -32.495  21.914 -13.919
  810   2HB   GLN 110          HB3       GLN 110 -31.030  21.579 -13.015
  811   1HG   GLN 110          HG2       GLN 110 -29.783  22.950 -14.858
  812   2HG   GLN 110          HG3       GLN 110 -31.393  23.480 -15.354
  813   1HE2  GLN 110          HE22      GLN 110 -29.148  23.272 -12.534
  814   2HE2  GLN 110          HE21      GLN 110 -29.762  24.699 -11.721
  815    H    GLY 111           H        GLY 111 -33.565  20.373 -15.478
  816   1HA   GLY 111          HA1       GLY 111 -34.254  21.608 -17.697
  817   2HA   GLY 111          HA2       GLY 111 -33.307  20.283 -18.418
  818    H    THR 112           H        THR 112 -33.772  18.168 -16.815
  819    HA   THR 112           HA       THR 112 -36.333  17.802 -15.755
  820    HB   THR 112           HB       THR 112 -37.163  17.639 -18.020
  821    HG1  THR 112           HG1      THR 112 -38.151  16.148 -16.863
  822   1HG2  THR 112          HG21      THR 112 -34.958  15.634 -18.572
  823   2HG2  THR 112          HG22      THR 112 -36.359  15.919 -19.624
  824   3HG2  THR 112          HG23      THR 112 -35.197  17.218 -19.342
  825    H    GLU 113           H        GLU 113 -36.388  15.393 -14.969
  826    HA   GLU 113           HA       GLU 113 -33.984  14.952 -13.541
  827   1HB   GLU 113          HB2       GLU 113 -36.147  14.199 -12.731
  828   2HB   GLU 113          HB3       GLU 113 -36.349  13.119 -14.120
  829   1HG   GLU 113          HG2       GLU 113 -34.474  11.738 -13.393
  830   2HG   GLU 113          HG3       GLU 113 -34.095  12.864 -12.084
  831    H    GLU 114           H        GLU 114 -35.214  13.476 -16.537
  832    HA   GLU 114           HA       GLU 114 -33.065  11.599 -16.720
  833   1HB   GLU 114          HB2       GLU 114 -33.858  11.115 -18.964
  834   2HB   GLU 114          HB3       GLU 114 -35.181  11.147 -17.801
  835   1HG   GLU 114          HG2       GLU 114 -35.837  13.400 -18.581
  836   2HG   GLU 114          HG3       GLU 114 -34.494  13.405 -19.733
  837    H    GLU 115           H        GLU 115 -33.336  14.985 -17.657
  838    HA   GLU 115           HA       GLU 115 -31.065  14.933 -19.441
  839   1HB   GLU 115          HB2       GLU 115 -32.897  16.625 -19.601
  840   2HB   GLU 115          HB3       GLU 115 -32.399  17.282 -18.042
  841   1HG   GLU 115          HG2       GLU 115 -31.502  18.696 -19.719
  842   2HG   GLU 115          HG3       GLU 115 -30.148  17.810 -19.036
  843    H    LYS 116           H        LYS 116 -31.737  15.863 -16.043
  844    HA   LYS 116           HA       LYS 116 -29.106  16.556 -15.275
  845   1HB   LYS 116          HB2       LYS 116 -30.954  17.136 -13.875
  846   2HB   LYS 116          HB3       LYS 116 -31.513  15.464 -13.781
  847   1HG   LYS 116          HG2       LYS 116 -29.600  14.810 -12.479
  848   2HG   LYS 116          HG3       LYS 116 -28.877  16.426 -12.600
  849   1HD   LYS 116          HD2       LYS 116 -31.635  16.044 -11.397
  850   2HD   LYS 116          HD3       LYS 116 -30.181  15.644 -10.455
  851   1HE   LYS 116          HE2       LYS 116 -29.329  17.983 -10.928
  852   2HE   LYS 116          HE3       LYS 116 -30.910  18.348 -11.621
  853   1HZ   LYS 116          HZ1       LYS 116 -30.409  17.525  -8.820
  854   2HZ   LYS 116          HZ2       LYS 116 -30.795  19.022  -9.321
  855   3HZ   LYS 116          HZ3       LYS 116 -31.894  17.823  -9.447
  856    H    TRP 117           H        TRP 117 -30.761  13.367 -15.149
  857    HA   TRP 117           HA       TRP 117 -28.492  11.948 -14.190
  858   1HB   TRP 117          HB2       TRP 117 -30.744  10.984 -14.143
  859   2HB   TRP 117          HB3       TRP 117 -30.800  10.955 -15.906
  860    HD1  TRP 117           HD1      TRP 117 -29.419   9.070 -17.157
  861    HE1  TRP 117           HE1      TRP 117 -28.318   6.878 -16.412
  862    HE3  TRP 117           HE3      TRP 117 -29.370   9.850 -12.099
  863    HZ2  TRP 117           HZ2      TRP 117 -27.241   5.769 -14.003
  864    HZ3  TRP 117           HZ3      TRP 117 -28.154   8.281 -10.616
  865    HH2  TRP 117           HH2      TRP 117 -27.074   6.238 -11.557
  866    H    ALA 118           H        ALA 118 -29.591  12.573 -17.591
  867    HA   ALA 118           HA       ALA 118 -27.580  11.070 -18.856
  868   1HB   ALA 118          HB1       ALA 118 -27.990  12.563 -20.810
  869   2HB   ALA 118          HB2       ALA 118 -29.499  11.998 -20.068
  870   3HB   ALA 118          HB3       ALA 118 -28.926  13.653 -19.772
  871    H    PHE 119           H        PHE 119 -27.483  14.435 -17.621
  872    HA   PHE 119           HA       PHE 119 -24.875  15.029 -18.541
  873   1HB   PHE 119          HB2       PHE 119 -26.745  16.557 -17.602
  874   2HB   PHE 119          HB3       PHE 119 -26.099  16.154 -16.020
  875    HD1  PHE 119           HD1      PHE 119 -25.746  18.199 -18.994
  876    HD2  PHE 119           HD2      PHE 119 -23.655  16.760 -15.514
  877    HE1  PHE 119           HE1      PHE 119 -24.143  20.082 -19.177
  878    HE2  PHE 119           HE2      PHE 119 -22.089  18.691 -15.653
  879    HZ   PHE 119           HZ       PHE 119 -22.320  20.335 -17.509
  880    H    PHE 120           H        PHE 120 -25.994  13.379 -15.500
  881    HA   PHE 120           HA       PHE 120 -23.471  13.204 -14.209
  882   1HB   PHE 120          HB2       PHE 120 -25.479  10.930 -14.292
  883   2HB   PHE 120          HB3       PHE 120 -24.203  11.197 -13.146
  884    HD1  PHE 120           HD1      PHE 120 -25.493  14.438 -13.232
  885    HD2  PHE 120           HD2      PHE 120 -26.610  10.420 -12.119
  886    HE1  PHE 120           HE1      PHE 120 -27.085  15.326 -11.583
  887    HE2  PHE 120           HE2      PHE 120 -28.266  11.334 -10.514
  888    HZ   PHE 120           HZ       PHE 120 -28.492  13.792 -10.226
  889    H    GLN 121           H        GLN 121 -25.059  10.898 -16.526
  890    HA   GLN 121           HA       GLN 121 -22.882   9.212 -16.820
  891   1HB   GLN 121          HB2       GLN 121 -24.892   9.811 -18.996
  892   2HB   GLN 121          HB3       GLN 121 -23.920   8.355 -18.805
  893   1HG   GLN 121          HG2       GLN 121 -26.195   9.271 -16.994
  894   2HG   GLN 121          HG3       GLN 121 -26.215   7.948 -18.128
  895   1HE2  GLN 121          HE22      GLN 121 -26.052   5.968 -17.140
  896   2HE2  GLN 121          HE21      GLN 121 -25.298   5.702 -15.582
  897    H    ARG 122           H        ARG 122 -23.534  12.158 -18.743
  898    HA   ARG 122           HA       ARG 122 -21.312  11.815 -20.504
  899   1HB   ARG 122          HB2       ARG 122 -22.962  14.214 -19.665
  900   2HB   ARG 122          HB3       ARG 122 -21.422  14.488 -20.466
  901   1HG   ARG 122          HG2       ARG 122 -23.053  14.515 -22.166
  902   2HG   ARG 122          HG3       ARG 122 -22.115  13.028 -22.354
  903   1HD   ARG 122          HD2       ARG 122 -23.957  11.793 -21.159
  904   2HD   ARG 122          HD3       ARG 122 -24.885  13.312 -21.124
  905    HE   ARG 122           HE       ARG 122 -24.265  12.965 -23.782
  906   1HH1  ARG 122          HH21      ARG 122 -25.907  11.000 -21.339
  907   2HH1  ARG 122          HH22      ARG 122 -26.948  10.197 -22.460
  908   1HH2  ARG 122          HH11      ARG 122 -25.654  11.907 -25.295
  909   2HH2  ARG 122          HH12      ARG 122 -26.801  10.739 -24.765
  910    H    VAL 123           H        VAL 123 -21.514  13.617 -17.373
  911    HA   VAL 123           HA       VAL 123 -18.767  14.399 -17.536
  912    HB   VAL 123           HB       VAL 123 -20.679  14.245 -15.163
  913   1HG1  VAL 123          HG11      VAL 123 -17.924  15.562 -15.310
  914   2HG1  VAL 123          HG12      VAL 123 -19.099  15.777 -13.996
  915   3HG1  VAL 123          HG13      VAL 123 -18.372  14.192 -14.277
  916   1HG2  VAL 123          HG21      VAL 123 -19.665  16.596 -16.848
  917   2HG2  VAL 123          HG22      VAL 123 -21.292  15.903 -16.930
  918   3HG2  VAL 123          HG23      VAL 123 -20.751  16.717 -15.457
  919    H    ARG 124           H        ARG 124 -20.265  11.488 -15.829
  920    HA   ARG 124           HA       ARG 124 -17.686  10.707 -14.911
  921   1HB   ARG 124          HB2       ARG 124 -18.519   8.439 -14.594
  922   2HB   ARG 124          HB3       ARG 124 -19.603   9.635 -13.886
  923   1HG   ARG 124          HG2       ARG 124 -21.231   9.271 -15.565
  924   2HG   ARG 124          HG3       ARG 124 -20.115   8.380 -16.611
  925   1HD   ARG 124          HD2       ARG 124 -19.980   6.590 -14.841
  926   2HD   ARG 124          HD3       ARG 124 -21.219   7.456 -13.946
  927    HE   ARG 124           HE       ARG 124 -22.833   6.858 -15.461
  928   1HH1  ARG 124          HH11      ARG 124 -19.673   5.839 -16.766
  929   2HH1  ARG 124          HH12      ARG 124 -20.346   4.898 -18.041
  930   1HH2  ARG 124          HH21      ARG 124 -23.709   5.527 -17.141
  931   2HH2  ARG 124          HH22      ARG 124 -22.670   4.702 -18.244
  932    H    ASP 125           H        ASP 125 -19.331  10.015 -17.998
  933    HA   ASP 125           HA       ASP 125 -17.451   8.129 -18.944
  934   1HB   ASP 125          HB2       ASP 125 -19.579   8.475 -20.073
  935   2HB   ASP 125          HB3       ASP 125 -19.131  10.132 -20.498
  936    H    GLU 126           H        GLU 126 -17.483  11.738 -19.251
  937    HA   GLU 126           HA       GLU 126 -15.022  11.702 -20.680
  938   1HB   GLU 126          HB2       GLU 126 -16.803  13.840 -19.590
  939   2HB   GLU 126          HB3       GLU 126 -15.138  14.274 -19.990
  940   1HG   GLU 126          HG2       GLU 126 -16.874  12.771 -21.963
  941   2HG   GLU 126          HG3       GLU 126 -16.908  14.527 -21.826
  942    H    ILE 127           H        ILE 127 -15.758  12.039 -17.213
  943    HA   ILE 127           HA       ILE 127 -13.082  12.808 -16.508
  944    HB   ILE 127           HB       ILE 127 -15.486  12.545 -15.116
  945   1HG1  ILE 127          HG12      ILE 127 -14.160  13.175 -13.072
  946   2HG1  ILE 127          HG13      ILE 127 -12.692  13.034 -14.051
  947   1HG2  ILE 127          HG21      ILE 127 -15.224  10.226 -14.705
  948   2HG2  ILE 127          HG22      ILE 127 -13.652  10.507 -13.905
  949   3HG2  ILE 127          HG23      ILE 127 -15.157  11.150 -13.205
  950   1HD1  ILE 127          HD11      ILE 127 -13.535  14.810 -15.549
  951   2HD1  ILE 127          HD12      ILE 127 -15.100  14.814 -14.702
  952   3HD1  ILE 127          HD13      ILE 127 -13.646  15.371 -13.863
  953    H    GLY 128           H        GLY 128 -14.702   9.623 -16.883
  954   1HA   GLY 128          HA1       GLY 128 -12.466   8.018 -16.167
  955   2HA   GLY 128          HA2       GLY 128 -13.850   7.532 -17.178
  956    H    ASN 129           H        ASN 129 -13.675   9.164 -19.357
  957    HA   ASN 129           HA       ASN 129 -11.642   8.111 -20.982
  958   1HB   ASN 129          HB2       ASN 129 -13.811   9.100 -21.720
  959   2HB   ASN 129          HB3       ASN 129 -13.186  10.695 -21.291
  960   1HD2  ASN 129          HD21      ASN 129 -13.489  11.473 -23.373
  961   2HD2  ASN 129          HD22      ASN 129 -12.531  10.922 -24.749
  962    H    ARG 130           H        ARG 130 -11.682  11.106 -19.034
  963    HA   ARG 130           HA       ARG 130  -9.257  12.240 -20.002
  964   1HB   ARG 130          HB2       ARG 130 -11.118  12.749 -17.796
  965   2HB   ARG 130          HB3       ARG 130  -9.505  12.676 -17.144
  966   1HG   ARG 130          HG2       ARG 130  -9.655  14.873 -17.593
  967   2HG   ARG 130          HG3       ARG 130  -8.866  14.319 -19.065
  968   1HD   ARG 130          HD2       ARG 130 -11.776  15.028 -18.599
  969   2HD   ARG 130          HD3       ARG 130 -10.650  15.921 -19.620
  970    HE   ARG 130           HE       ARG 130 -12.319  13.692 -20.302
  971   1HH1  ARG 130          HH21      ARG 130  -8.998  14.827 -21.087
  972   2HH1  ARG 130          HH22      ARG 130  -8.954  13.791 -22.510
  973   1HH2  ARG 130          HH11      ARG 130 -12.303  12.902 -22.468
  974   2HH2  ARG 130          HH12      ARG 130 -10.708  12.700 -23.218
  975    H    LEU 131           H        LEU 131  -9.918  10.027 -17.293
  976    HA   LEU 131           HA       LEU 131  -7.143   9.883 -16.580
  977   1HB   LEU 131          HB2       LEU 131  -9.617   8.350 -15.737
  978   2HB   LEU 131          HB3       LEU 131  -8.031   8.024 -15.017
  979    HG   LEU 131           HG       LEU 131  -9.039  10.898 -15.161
  980   1HD1  LEU 131          HD11      LEU 131 -10.034  10.652 -12.939
  981   2HD1  LEU 131          HD12      LEU 131 -10.886   9.742 -14.193
  982   3HD1  LEU 131          HD13      LEU 131  -9.822   8.888 -13.052
  983   1HD2  LEU 131          HD21      LEU 131  -7.606  11.214 -13.254
  984   2HD2  LEU 131          HD22      LEU 131  -7.238   9.471 -13.167
  985   3HD2  LEU 131          HD23      LEU 131  -6.672  10.450 -14.531
  986    H    LYS 132           H        LYS 132  -9.228   7.855 -18.631
  987    HA   LYS 132           HA       LYS 132  -7.300   5.849 -19.165
  988   1HB   LYS 132          HB2       LYS 132  -9.404   5.299 -19.853
  989   2HB   LYS 132          HB3       LYS 132  -9.790   6.876 -20.475
  990   1HG   LYS 132          HG2       LYS 132  -7.772   5.127 -21.934
  991   2HG   LYS 132          HG3       LYS 132  -9.507   4.830 -22.061
  992   1HD   LYS 132          HD2       LYS 132  -9.481   7.516 -22.558
  993   2HD   LYS 132          HD3       LYS 132  -7.894   7.071 -23.202
  994   1HE   LYS 132          HE2       LYS 132  -8.896   5.468 -24.724
  995   2HE   LYS 132          HE3       LYS 132 -10.467   5.617 -23.924
  996   1HZ   LYS 132          HZ1       LYS 132 -10.555   7.934 -24.645
  997   2HZ   LYS 132          HZ2       LYS 132  -9.145   7.758 -25.479
  998   3HZ   LYS 132          HZ3       LYS 132 -10.465   6.910 -25.923
  999    H    GLU 133           H        GLU 133  -7.864   8.946 -20.934
 1000    HA   GLU 133           HA       GLU 133  -5.622   8.512 -22.697
 1001   1HB   GLU 133          HB2       GLU 133  -6.921  11.099 -21.722
 1002   2HB   GLU 133          HB3       GLU 133  -5.630  11.015 -22.933
 1003   1HG   GLU 133          HG2       GLU 133  -7.062   9.645 -24.402
 1004   2HG   GLU 133          HG3       GLU 133  -8.388   9.755 -23.246
 1005    H    PHE 134           H        PHE 134  -5.854  10.312 -19.590
 1006    HA   PHE 134           HA       PHE 134  -3.182  11.137 -19.514
 1007   1HB   PHE 134          HB2       PHE 134  -4.812  12.050 -18.053
 1008   2HB   PHE 134          HB3       PHE 134  -5.254  10.462 -17.432
 1009    HD1  PHE 134           HD1      PHE 134  -2.789  13.197 -17.178
 1010    HD2  PHE 134           HD2      PHE 134  -4.007   9.311 -15.763
 1011    HE1  PHE 134           HE1      PHE 134  -1.218  13.398 -15.270
 1012    HE2  PHE 134           HE2      PHE 134  -2.471   9.536 -13.821
 1013    HZ   PHE 134           HZ       PHE 134  -1.064  11.561 -13.599
 1014    H    ALA 135           H        ALA 135  -4.588   8.010 -18.546
 1015    HA   ALA 135           HA       ALA 135  -2.150   6.962 -17.455
 1016   1HB   ALA 135          HB1       ALA 135  -4.650   5.514 -18.421
 1017   2HB   ALA 135          HB2       ALA 135  -3.345   4.805 -17.447
 1018   3HB   ALA 135          HB3       ALA 135  -4.345   6.102 -16.770
 1019    H    GLU 136           H        GLU 136  -3.822   6.553 -20.581
 1020    HA   GLU 136           HA       GLU 136  -1.988   4.620 -21.620
 1021   1HB   GLU 136          HB2       GLU 136  -4.145   6.341 -22.885
 1022   2HB   GLU 136          HB3       GLU 136  -3.180   5.211 -23.825
 1023   1HG   GLU 136          HG2       GLU 136  -4.851   4.366 -21.416
 1024   2HG   GLU 136          HG3       GLU 136  -5.419   4.330 -23.080
 1025    H    THR 137           H        THR 137  -2.261   8.132 -21.949
 1026    HA   THR 137           HA       THR 137  -0.146   8.217 -23.882
 1027    HB   THR 137           HB       THR 137  -0.617  10.550 -24.042
 1028    HG1  THR 137           HG1      THR 137  -2.551  10.176 -22.026
 1029   1HG2  THR 137          HG21      THR 137  -3.153   8.838 -23.941
 1030   2HG2  THR 137          HG22      THR 137  -2.999  10.417 -24.746
 1031   3HG2  THR 137          HG23      THR 137  -2.047   9.025 -25.306
 1032    H    GLY 138           H        GLY 138  -0.514   8.565 -20.398
 1033   1HA   GLY 138          HA1       GLY 138   0.918   9.032 -18.715
 1034   2HA   GLY 138          HA2       GLY 138   2.300   8.841 -19.825
 1035    H    LYS 139           H        LYS 139  -0.536  10.986 -19.999
 1036    HA   LYS 139           HA       LYS 139   0.673  13.190 -21.091
 1037   1HB   LYS 139          HB2       LYS 139  -1.824  12.698 -20.728
 1038   2HB   LYS 139          HB3       LYS 139  -1.618  13.344 -19.110
 1039   1HG   LYS 139          HG2       LYS 139  -2.495  15.083 -20.498
 1040   2HG   LYS 139          HG3       LYS 139  -0.835  15.497 -20.068
 1041   1HD   LYS 139          HD2       LYS 139  -1.365  16.056 -22.406
 1042   2HD   LYS 139          HD3       LYS 139  -0.050  14.885 -22.308
 1043   1HE   LYS 139          HE2       LYS 139  -1.637  13.043 -22.826
 1044   2HE   LYS 139          HE3       LYS 139  -2.975  14.198 -22.864
 1045   1HZ   LYS 139          HZ1       LYS 139  -2.173  13.700 -25.083
 1046   2HZ   LYS 139          HZ2       LYS 139  -1.905  15.272 -24.760
 1047   3HZ   LYS 139          HZ3       LYS 139  -0.666  14.207 -24.724
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1   3.496  -2.949  -5.260
    2   2H    MET   1           H2       MET   1   2.284  -1.866  -5.519
    3   3H    MET   1           H3       MET   1   3.649  -1.791  -6.422
    4    HA   MET   1           HA       MET   1   3.423  -1.268  -3.551
    5   1HB   MET   1          HB2       MET   1   5.589  -2.323  -4.140
    6   2HB   MET   1          HB3       MET   1   5.886  -1.063  -5.344
    7   1HG   MET   1          HG2       MET   1   7.101  -0.686  -3.230
    8   2HG   MET   1          HG3       MET   1   6.011   0.634  -3.619
    9   1HE   MET   1          HE1       MET   1   7.347   0.416  -0.809
   10   2HE   MET   1          HE2       MET   1   6.170   1.671  -1.259
   11   3HE   MET   1          HE3       MET   1   5.967   0.764   0.256
   12    H    GLU   2           H        GLU   2   3.205   0.906  -2.982
   13    HA   GLU   2           HA       GLU   2   2.164   2.738  -4.931
   14   1HB   GLU   2          HB2       GLU   2   2.091   4.308  -3.047
   15   2HB   GLU   2          HB3       GLU   2   1.410   2.739  -2.621
   16   1HG   GLU   2          HG2       GLU   2   3.621   2.164  -1.504
   17   2HG   GLU   2          HG3       GLU   2   4.154   3.814  -1.827
   18    H    ASN   3           H        ASN   3   3.066   4.722  -5.670
   19    HA   ASN   3           HA       ASN   3   5.952   5.207  -5.211
   20   1HB   ASN   3          HB2       ASN   3   4.748   5.198  -8.008
   21   2HB   ASN   3          HB3       ASN   3   6.401   5.591  -7.567
   22   1HD2  ASN   3          HD22      ASN   3   4.018   3.039  -7.742
   23   2HD2  ASN   3          HD21      ASN   3   5.110   1.673  -7.706
   24    H    LYS   4           H        LYS   4   2.864   6.289  -6.612
   25    HA   LYS   4           HA       LYS   4   3.725   9.149  -6.296
   26   1HB   LYS   4          HB2       LYS   4   2.082   7.757  -8.447
   27   2HB   LYS   4          HB3       LYS   4   2.169   9.513  -8.301
   28   1HG   LYS   4          HG2       LYS   4   4.585   9.515  -8.621
   29   2HG   LYS   4          HG3       LYS   4   4.626   7.751  -8.688
   30   1HD   LYS   4          HD2       LYS   4   3.184   9.545 -10.691
   31   2HD   LYS   4          HD3       LYS   4   4.764   8.767 -10.921
   32   1HE   LYS   4          HE2       LYS   4   3.581   6.540 -10.429
   33   2HE   LYS   4          HE3       LYS   4   2.055   7.422 -10.563
   34   1HZ   LYS   4          HZ1       LYS   4   4.082   7.279 -12.726
   35   2HZ   LYS   4          HZ2       LYS   4   2.799   6.278 -12.610
   36   3HZ   LYS   4          HZ3       LYS   4   2.564   7.896 -12.847
   37    H    ILE   5           H        ILE   5   1.848  10.670  -6.284
   38    HA   ILE   5           HA       ILE   5  -0.602   9.632  -4.982
   39    HB   ILE   5           HB       ILE   5   1.188  11.936  -4.080
   40   1HG1  ILE   5          HG12      ILE   5  -0.044   9.733  -2.392
   41   2HG1  ILE   5          HG13      ILE   5   1.562   9.609  -3.118
   42   1HG2  ILE   5          HG21      ILE   5  -1.115  12.828  -4.173
   43   2HG2  ILE   5          HG22      ILE   5  -1.711  11.427  -3.276
   44   3HG2  ILE   5          HG23      ILE   5  -0.634  12.623  -2.503
   45   1HD1  ILE   5          HD11      ILE   5   1.830  10.295  -0.842
   46   2HD1  ILE   5          HD12      ILE   5   2.245  11.677  -1.872
   47   3HD1  ILE   5          HD13      ILE   5   0.682  11.626  -1.018
   48    H    ILE   6           H        ILE   6  -2.385  10.546  -5.899
   49    HA   ILE   6           HA       ILE   6  -2.003  12.918  -7.629
   50    HB   ILE   6           HB       ILE   6  -2.370  11.185  -9.162
   51   1HG1  ILE   6          HG12      ILE   6  -5.041  12.579  -8.692
   52   2HG1  ILE   6          HG13      ILE   6  -3.636  13.266  -9.515
   53   1HG2  ILE   6          HG21      ILE   6  -4.283   9.586  -9.026
   54   2HG2  ILE   6          HG22      ILE   6  -3.118   9.384  -7.729
   55   3HG2  ILE   6          HG23      ILE   6  -4.656  10.222  -7.417
   56   1HD1  ILE   6          HD11      ILE   6  -5.391  10.968 -10.440
   57   2HD1  ILE   6          HD12      ILE   6  -5.156  12.546 -11.203
   58   3HD1  ILE   6          HD13      ILE   6  -3.834  11.357 -11.202
   59    H    TYR   7           H        TYR   7  -3.455  14.563  -7.163
   60    HA   TYR   7           HA       TYR   7  -5.458  14.060  -5.018
   61   1HB   TYR   7          HB2       TYR   7  -3.281  14.970  -4.196
   62   2HB   TYR   7          HB3       TYR   7  -3.541  16.404  -5.175
   63    HD1  TYR   7           HD1      TYR   7  -4.136  18.231  -3.840
   64    HD2  TYR   7           HD2      TYR   7  -5.633  14.329  -2.786
   65    HE1  TYR   7           HE1      TYR   7  -5.138  19.165  -1.774
   66    HE2  TYR   7           HE2      TYR   7  -6.660  15.264  -0.740
   67    HH   TYR   7           HH       TYR   7  -6.899  17.163   0.603
   68    H    PHE   8           H        PHE   8  -7.353  14.307  -6.069
   69    HA   PHE   8           HA       PHE   8  -7.761  16.205  -8.240
   70   1HB   PHE   8          HB2       PHE   8  -9.629  14.468  -6.549
   71   2HB   PHE   8          HB3       PHE   8 -10.158  15.441  -7.909
   72    HD1  PHE   8           HD1      PHE   8  -8.863  12.215  -6.933
   73    HD2  PHE   8           HD2      PHE   8  -8.992  15.057 -10.161
   74    HE1  PHE   8           HE1      PHE   8  -8.176  10.448  -8.538
   75    HE2  PHE   8           HE2      PHE   8  -8.294  13.287 -11.761
   76    HZ   PHE   8           HZ       PHE   8  -7.875  10.991 -10.931
   77    H    LEU   9           H        LEU   9  -8.895  18.095  -8.204
   78    HA   LEU   9           HA       LEU   9  -9.817  19.214  -5.613
   79   1HB   LEU   9          HB2       LEU   9  -7.400  19.772  -6.152
   80   2HB   LEU   9          HB3       LEU   9  -7.915  20.485  -7.662
   81    HG   LEU   9           HG       LEU   9  -7.350  22.128  -5.955
   82   1HD1  LEU   9          HD11      LEU   9  -9.247  22.563  -7.665
   83   2HD1  LEU   9          HD12      LEU   9 -10.348  22.410  -6.275
   84   3HD1  LEU   9          HD13      LEU   9  -9.087  23.644  -6.279
   85   1HD2  LEU   9          HD21      LEU   9  -8.671  22.464  -3.956
   86   2HD2  LEU   9          HD22      LEU   9  -9.706  21.077  -4.341
   87   3HD2  LEU   9          HD23      LEU   9  -7.994  20.815  -3.974
   88    H    CYS  10           H        CYS  10 -11.840  20.228  -5.956
   89    HA   CYS  10           HA       CYS  10 -12.431  21.370  -8.586
   90   1HB   CYS  10          HB2       CYS  10 -13.170  18.836  -8.450
   91   2HB   CYS  10          HB3       CYS  10 -14.495  19.455  -7.457
   92    HG   CYS  10           HG       CYS  10 -15.210  19.113  -9.981
   93    H    THR  11           H        THR  11 -14.779  22.520  -8.405
   94    HA   THR  11           HA       THR  11 -14.593  24.211  -6.105
   95    HB   THR  11           HB       THR  11 -16.849  25.065  -7.130
   96    HG1  THR  11           HG1      THR  11 -16.948  24.591  -9.341
   97   1HG2  THR  11          HG21      THR  11 -15.564  26.412  -8.693
   98   2HG2  THR  11          HG22      THR  11 -14.604  26.173  -7.222
   99   3HG2  THR  11          HG23      THR  11 -14.238  25.239  -8.682
  100    H    GLY  12           H        GLY  12 -15.991  21.149  -6.362
  101   1HA   GLY  12          HA1       GLY  12 -16.868  21.341  -3.642
  102   2HA   GLY  12          HA2       GLY  12 -18.218  21.013  -4.761
  103    H    ASN  13           H        ASN  13 -15.941  19.557  -2.878
  104    HA   ASN  13           HA       ASN  13 -14.698  17.592  -4.499
  105   1HB   ASN  13          HB2       ASN  13 -13.946  18.112  -2.203
  106   2HB   ASN  13          HB3       ASN  13 -15.492  17.610  -1.551
  107   1HD2  ASN  13          HD22      ASN  13 -12.717  16.257  -3.441
  108   2HD2  ASN  13          HD21      ASN  13 -12.941  14.616  -2.821
  109    H    SER  14           H        SER  14 -17.686  17.529  -2.645
  110    HA   SER  14           HA       SER  14 -18.379  15.045  -2.245
  111   1HB   SER  14          HB2       SER  14 -20.285  17.210  -3.192
  112   2HB   SER  14          HB3       SER  14 -20.622  15.938  -2.004
  113    HG   SER  14           HG       SER  14 -20.026  18.183  -1.291
  114    H    CYS  15           H        CYS  15 -18.413  16.254  -5.544
  115    HA   CYS  15           HA       CYS  15 -19.686  13.704  -6.358
  116   1HB   CYS  15          HB2       CYS  15 -20.808  14.989  -8.245
  117   2HB   CYS  15          HB3       CYS  15 -21.476  15.245  -6.632
  118    HG   CYS  15           HG       CYS  15 -21.529  17.534  -7.961
  119    H    ARG  16           H        ARG  16 -18.200  16.511  -8.046
  120    HA   ARG  16           HA       ARG  16 -17.238  14.917 -10.146
  121   1HB   ARG  16          HB2       ARG  16 -16.412  17.669  -9.127
  122   2HB   ARG  16          HB3       ARG  16 -15.679  16.962 -10.572
  123   1HG   ARG  16          HG2       ARG  16 -17.743  16.824 -11.736
  124   2HG   ARG  16          HG3       ARG  16 -18.702  17.143 -10.290
  125   1HD   ARG  16          HD2       ARG  16 -16.757  19.166 -11.442
  126   2HD   ARG  16          HD3       ARG  16 -18.443  19.063 -11.947
  127    HE   ARG  16           HE       ARG  16 -18.696  19.217  -9.232
  128   1HH1  ARG  16          HH21      ARG  16 -17.054  21.304 -11.613
  129   2HH1  ARG  16          HH22      ARG  16 -16.954  22.643 -10.489
  130   1HH2  ARG  16          HH11      ARG  16 -19.059  21.147  -8.111
  131   2HH2  ARG  16          HH12      ARG  16 -18.037  22.537  -8.460
  132    H    SER  17           H        SER  17 -15.325  16.053  -7.277
  133    HA   SER  17           HA       SER  17 -12.988  14.708  -8.213
  134   1HB   SER  17          HB2       SER  17 -13.512  15.442  -5.353
  135   2HB   SER  17          HB3       SER  17 -11.991  15.502  -6.279
  136    HG   SER  17           HG       SER  17 -12.773  17.570  -5.950
  137    H    GLN  18           H        GLN  18 -15.640  13.754  -6.002
  138    HA   GLN  18           HA       GLN  18 -14.439  11.327  -5.091
  139   1HB   GLN  18          HB2       GLN  18 -17.355  12.190  -5.432
  140   2HB   GLN  18          HB3       GLN  18 -16.873  10.676  -4.685
  141   1HG   GLN  18          HG2       GLN  18 -16.057  13.406  -3.652
  142   2HG   GLN  18          HG3       GLN  18 -17.394  12.453  -3.029
  143   1HE2  GLN  18          HE22      GLN  18 -15.055  13.371  -1.555
  144   2HE2  GLN  18          HE21      GLN  18 -14.232  11.941  -0.969
  145    H    MET  19           H        MET  19 -16.501  11.992  -7.999
  146    HA   MET  19           HA       MET  19 -16.512   9.249  -8.895
  147   1HB   MET  19          HB2       MET  19 -16.845  11.847 -10.463
  148   2HB   MET  19          HB3       MET  19 -17.079  10.221 -11.116
  149   1HG   MET  19          HG2       MET  19 -18.774   9.866  -9.214
  150   2HG   MET  19          HG3       MET  19 -18.725  11.606  -8.997
  151   1HE   MET  19          HE1       MET  19 -20.176  12.946 -12.385
  152   2HE   MET  19          HE2       MET  19 -19.528  13.373 -10.782
  153   3HE   MET  19          HE3       MET  19 -18.454  12.695 -12.029
  154    H    ALA  20           H        ALA  20 -14.380  12.068  -9.704
  155    HA   ALA  20           HA       ALA  20 -12.774  10.780 -11.603
  156   1HB   ALA  20          HB1       ALA  20 -11.124  12.490 -11.136
  157   2HB   ALA  20          HB2       ALA  20 -12.728  13.237 -11.038
  158   3HB   ALA  20          HB3       ALA  20 -11.843  12.836  -9.552
  159    H    GLU  21           H        GLU  21 -12.401  10.898  -8.058
  160    HA   GLU  21           HA       GLU  21 -10.034   9.408  -7.797
  161   1HB   GLU  21          HB2       GLU  21 -11.007  10.726  -6.015
  162   2HB   GLU  21          HB3       GLU  21 -12.450   9.706  -5.964
  163   1HG   GLU  21          HG2       GLU  21 -11.107   7.792  -5.267
  164   2HG   GLU  21          HG3       GLU  21  -9.637   8.759  -5.324
  165    H    GLY  22           H        GLY  22 -13.450   8.247  -7.989
  166   1HA   GLY  22          HA1       GLY  22 -12.884   5.508  -7.534
  167   2HA   GLY  22          HA2       GLY  22 -14.301   6.154  -8.358
  168    H    TRP  23           H        TRP  23 -13.153   7.312 -10.720
  169    HA   TRP  23           HA       TRP  23 -12.613   4.887 -12.239
  170   1HB   TRP  23          HB2       TRP  23 -12.260   7.808 -13.021
  171   2HB   TRP  23          HB3       TRP  23 -12.045   6.450 -14.105
  172    HD1  TRP  23           HD1      TRP  23 -14.704   8.532 -12.449
  173    HE1  TRP  23           HE1      TRP  23 -16.918   8.243 -13.636
  174    HE3  TRP  23           HE3      TRP  23 -13.512   4.547 -15.447
  175    HZ2  TRP  23           HZ2      TRP  23 -18.045   6.569 -15.688
  176    HZ3  TRP  23           HZ3      TRP  23 -15.187   3.669 -17.055
  177    HH2  TRP  23           HH2      TRP  23 -17.469   4.709 -17.175
  178    H    ALA  24           H        ALA  24 -10.547   7.494 -10.899
  179    HA   ALA  24           HA       ALA  24  -8.225   6.840 -12.318
  180   1HB   ALA  24          HB1       ALA  24  -8.470   7.943  -9.473
  181   2HB   ALA  24          HB2       ALA  24  -7.053   8.104 -10.529
  182   3HB   ALA  24          HB3       ALA  24  -8.577   8.909 -10.948
  183    H    LYS  25           H        LYS  25  -9.444   5.488  -9.259
  184    HA   LYS  25           HA       LYS  25  -7.173   3.929  -8.610
  185   1HB   LYS  25          HB2       LYS  25 -10.139   3.550  -8.063
  186   2HB   LYS  25          HB3       LYS  25  -8.910   2.466  -7.397
  187   1HG   LYS  25          HG2       LYS  25  -7.866   4.194  -6.130
  188   2HG   LYS  25          HG3       LYS  25  -8.726   5.473  -6.991
  189   1HD   LYS  25          HD2       LYS  25 -10.879   4.675  -6.056
  190   2HD   LYS  25          HD3       LYS  25 -10.005   3.436  -5.117
  191   1HE   LYS  25          HE2       LYS  25  -8.741   5.196  -3.931
  192   2HE   LYS  25          HE3       LYS  25  -9.463   6.432  -4.969
  193   1HZ   LYS  25          HZ1       LYS  25 -10.840   4.849  -2.896
  194   2HZ   LYS  25          HZ2       LYS  25 -10.679   6.498  -3.006
  195   3HZ   LYS  25          HZ3       LYS  25 -11.656   5.721  -4.041
  196    H    GLN  26           H        GLN  26  -9.629   3.368 -11.098
  197    HA   GLN  26           HA       GLN  26  -8.866   0.582 -11.523
  198   1HB   GLN  26          HB2       GLN  26 -10.213   2.449 -13.484
  199   2HB   GLN  26          HB3       GLN  26 -10.114   0.699 -13.556
  200   1HG   GLN  26          HG2       GLN  26 -11.540   0.586 -11.477
  201   2HG   GLN  26          HG3       GLN  26 -11.737   2.353 -11.576
  202   1HE2  GLN  26          HE22      GLN  26 -12.042   2.969 -14.132
  203   2HE2  GLN  26          HE21      GLN  26 -13.408   2.144 -14.865
  204    H    TYR  27           H        TYR  27  -8.446   3.598 -13.386
  205    HA   TYR  27           HA       TYR  27  -6.768   2.365 -15.327
  206   1HB   TYR  27          HB2       TYR  27  -7.274   5.305 -14.730
  207   2HB   TYR  27          HB3       TYR  27  -6.421   4.710 -16.145
  208    HD1  TYR  27           HD1      TYR  27  -7.700   2.784 -17.518
  209    HD2  TYR  27           HD2      TYR  27  -9.590   5.759 -15.026
  210    HE1  TYR  27           HE1      TYR  27  -9.803   2.510 -18.792
  211    HE2  TYR  27           HE2      TYR  27 -11.659   5.558 -16.350
  212    HH   TYR  27           HH       TYR  27 -12.746   4.459 -18.110
  213    H    LEU  28           H        LEU  28  -5.889   4.431 -12.530
  214    HA   LEU  28           HA       LEU  28  -3.144   4.719 -13.474
  215   1HB   LEU  28          HB2       LEU  28  -4.413   5.430 -10.798
  216   2HB   LEU  28          HB3       LEU  28  -2.825   5.913 -11.346
  217    HG   LEU  28           HG       LEU  28  -5.467   6.805 -12.532
  218   1HD1  LEU  28          HD11      LEU  28  -4.781   8.994 -11.709
  219   2HD1  LEU  28          HD12      LEU  28  -4.758   7.816 -10.380
  220   3HD1  LEU  28          HD13      LEU  28  -3.237   8.337 -11.134
  221   1HD2  LEU  28          HD21      LEU  28  -3.909   6.623 -14.398
  222   2HD2  LEU  28          HD22      LEU  28  -4.103   8.324 -13.978
  223   3HD2  LEU  28          HD23      LEU  28  -2.642   7.453 -13.473
  224    H    GLY  29           H        GLY  29  -4.786   2.854 -10.953
  225   1HA   GLY  29          HA1       GLY  29  -4.292   0.726 -10.207
  226   2HA   GLY  29          HA2       GLY  29  -2.799   0.736 -11.146
  227    H    ASP  30           H        ASP  30  -2.375  -0.411  -8.970
  228    HA   ASP  30           HA       ASP  30  -2.181   0.905  -6.504
  229   1HB   ASP  30          HB2       ASP  30  -2.221  -1.535  -6.860
  230   2HB   ASP  30          HB3       ASP  30  -0.608  -1.453  -7.581
  231    H    GLU  31           H        GLU  31  -0.057   1.153  -9.208
  232    HA   GLU  31           HA       GLU  31   2.397   1.987  -8.067
  233   1HB   GLU  31          HB2       GLU  31   2.090   1.483 -10.426
  234   2HB   GLU  31          HB3       GLU  31   0.866   2.730 -10.600
  235   1HG   GLU  31          HG2       GLU  31   2.602   4.478 -10.198
  236   2HG   GLU  31          HG3       GLU  31   3.826   3.212 -10.090
  237    H    TRP  32           H        TRP  32  -0.734   3.492  -7.902
  238    HA   TRP  32           HA       TRP  32   0.524   6.010  -6.924
  239   1HB   TRP  32          HB2       TRP  32  -2.156   5.772  -8.332
  240   2HB   TRP  32          HB3       TRP  32  -1.351   7.242  -7.837
  241    HD1  TRP  32           HD1      TRP  32  -0.602   4.346 -10.297
  242    HE1  TRP  32           HE1      TRP  32  -0.064   5.332 -12.583
  243    HE3  TRP  32           HE3      TRP  32  -0.713   9.318  -9.071
  244    HZ2  TRP  32           HZ2      TRP  32   0.038   7.912 -13.793
  245    HZ3  TRP  32           HZ3      TRP  32  -0.498  11.026 -10.858
  246    HH2  TRP  32           HH2      TRP  32  -0.199  10.323 -13.225
  247    H    LYS  33           H        LYS  33  -0.766   7.168  -5.437
  248    HA   LYS  33           HA       LYS  33  -2.873   5.692  -3.902
  249   1HB   LYS  33          HB2       LYS  33  -0.867   7.811  -3.084
  250   2HB   LYS  33          HB3       LYS  33  -2.312   7.379  -2.137
  251   1HG   LYS  33          HG2       LYS  33  -1.497   4.920  -2.375
  252   2HG   LYS  33          HG3       LYS  33   0.058   5.612  -2.874
  253   1HD   LYS  33          HD2       LYS  33  -1.460   6.184  -0.314
  254   2HD   LYS  33          HD3       LYS  33  -0.092   5.059  -0.464
  255   1HE   LYS  33          HE2       LYS  33   1.187   7.148  -1.449
  256   2HE   LYS  33          HE3       LYS  33  -0.083   8.099  -0.669
  257   1HZ   LYS  33          HZ1       LYS  33   0.587   6.962   1.441
  258   2HZ   LYS  33          HZ2       LYS  33   1.808   6.212   0.615
  259   3HZ   LYS  33          HZ3       LYS  33   1.808   7.839   0.797
  260    H    VAL  34           H        VAL  34  -4.799   6.922  -3.600
  261    HA   VAL  34           HA       VAL  34  -5.039   9.307  -5.381
  262    HB   VAL  34           HB       VAL  34  -7.020   7.002  -5.355
  263   1HG1  VAL  34          HG11      VAL  34  -7.997   8.025  -7.240
  264   2HG1  VAL  34          HG12      VAL  34  -7.670   9.385  -6.157
  265   3HG1  VAL  34          HG13      VAL  34  -6.599   9.077  -7.529
  266   1HG2  VAL  34          HG21      VAL  34  -4.751   7.398  -7.348
  267   2HG2  VAL  34          HG22      VAL  34  -5.026   5.990  -6.299
  268   3HG2  VAL  34          HG23      VAL  34  -6.155   6.342  -7.604
  269    H    TYR  35           H        TYR  35  -5.952  10.922  -4.322
  270    HA   TYR  35           HA       TYR  35  -8.253  10.351  -2.575
  271   1HB   TYR  35          HB2       TYR  35  -6.679  12.599  -1.531
  272   2HB   TYR  35          HB3       TYR  35  -7.542  11.343  -0.691
  273    HD1  TYR  35           HD1      TYR  35  -4.327  12.540  -1.901
  274    HD2  TYR  35           HD2      TYR  35  -6.352   9.166  -0.133
  275    HE1  TYR  35           HE1      TYR  35  -2.180  11.714  -1.056
  276    HE2  TYR  35           HE2      TYR  35  -4.182   8.281   0.668
  277    HH   TYR  35           HH       TYR  35  -1.906   8.686   0.885
  278    H    SER  36           H        SER  36  -9.392  12.533  -2.108
  279    HA   SER  36           HA       SER  36  -9.003  14.496  -4.275
  280   1HB   SER  36          HB2       SER  36 -11.427  14.428  -4.695
  281   2HB   SER  36          HB3       SER  36 -10.651  12.904  -5.141
  282    HG   SER  36           HG       SER  36 -11.506  11.931  -3.401
  283    H    ALA  37           H        ALA  37  -9.833  16.548  -3.797
  284    HA   ALA  37           HA       ALA  37 -11.276  16.955  -1.264
  285   1HB   ALA  37          HB1       ALA  37  -9.854  18.742  -0.619
  286   2HB   ALA  37          HB2       ALA  37  -8.858  17.305  -0.814
  287   3HB   ALA  37          HB3       ALA  37  -8.833  18.574  -2.079
  288    H    GLY  38           H        GLY  38 -11.372  19.761  -1.515
  289   1HA   GLY  38          HA1       GLY  38 -11.881  20.668  -4.164
  290   2HA   GLY  38          HA2       GLY  38 -13.400  20.292  -3.337
  291    H    ILE  39           H        ILE  39 -13.111  22.832  -4.008
  292    HA   ILE  39           HA       ILE  39 -11.994  24.637  -2.088
  293    HB   ILE  39           HB       ILE  39 -14.308  24.694  -4.035
  294   1HG1  ILE  39          HG12      ILE  39 -13.078  26.583  -5.022
  295   2HG1  ILE  39          HG13      ILE  39 -11.872  26.496  -3.738
  296   1HG2  ILE  39          HG21      ILE  39 -14.772  27.065  -3.525
  297   2HG2  ILE  39          HG22      ILE  39 -15.258  25.983  -2.230
  298   3HG2  ILE  39          HG23      ILE  39 -13.760  26.938  -2.069
  299   1HD1  ILE  39          HD11      ILE  39 -11.116  25.547  -5.903
  300   2HD1  ILE  39          HD12      ILE  39 -11.065  24.348  -4.603
  301   3HD1  ILE  39          HD13      ILE  39 -12.378  24.321  -5.809
  302    H    GLU  40           H        GLU  40 -15.040  22.776  -2.201
  303    HA   GLU  40           HA       GLU  40 -15.070  22.797   0.731
  304   1HB   GLU  40          HB2       GLU  40 -17.398  23.391   0.926
  305   2HB   GLU  40          HB3       GLU  40 -16.490  24.690   0.166
  306   1HG   GLU  40          HG2       GLU  40 -17.324  23.931  -2.081
  307   2HG   GLU  40          HG3       GLU  40 -18.286  22.680  -1.288
  308    H    ALA  41           H        ALA  41 -16.945  21.247   1.455
  309    HA   ALA  41           HA       ALA  41 -17.437  18.930  -0.296
  310   1HB   ALA  41          HB1       ALA  41 -15.817  18.817   2.295
  311   2HB   ALA  41          HB2       ALA  41 -16.429  17.422   1.399
  312   3HB   ALA  41          HB3       ALA  41 -15.207  18.476   0.658
  313    H    HIS  42           H        HIS  42 -19.069  17.604   0.654
  314    HA   HIS  42           HA       HIS  42 -20.374  18.536   3.180
  315   1HB   HIS  42          HB2       HIS  42 -21.724  17.852   0.531
  316   2HB   HIS  42          HB3       HIS  42 -22.565  17.932   2.068
  317    HD1  HIS  42           HD1      HIS  42 -20.336  20.814   2.232
  318    HD2  HIS  42           HD2      HIS  42 -23.904  19.773   0.254
  319    HE1  HIS  42           HE1      HIS  42 -21.483  23.009   1.618
  320    H    GLY  43           H        GLY  43 -19.663  15.866   0.860
  321   1HA   GLY  43          HA1       GLY  43 -19.378  13.752   2.576
  322   2HA   GLY  43          HA2       GLY  43 -21.138  13.908   2.384
  323    H    LEU  44           H        LEU  44 -20.596  11.672   1.331
  324    HA   LEU  44           HA       LEU  44 -19.735  11.829  -1.487
  325   1HB   LEU  44          HB2       LEU  44 -20.595   9.695   0.437
  326   2HB   LEU  44          HB3       LEU  44 -21.067   9.449  -1.229
  327    HG   LEU  44           HG       LEU  44 -18.906   8.419  -0.556
  328   1HD1  LEU  44          HD11      LEU  44 -18.873  10.325  -2.917
  329   2HD1  LEU  44          HD12      LEU  44 -17.724   8.996  -2.651
  330   3HD1  LEU  44          HD13      LEU  44 -19.435   8.633  -2.855
  331   1HD2  LEU  44          HD21      LEU  44 -17.761  11.228  -0.656
  332   2HD2  LEU  44          HD22      LEU  44 -17.981  10.253   0.814
  333   3HD2  LEU  44          HD23      LEU  44 -16.868   9.726  -0.461
  334    H    ASN  45           H        ASN  45 -21.101  12.954  -2.855
  335    HA   ASN  45           HA       ASN  45 -23.841  13.453  -2.122
  336   1HB   ASN  45          HB2       ASN  45 -22.333  14.976  -3.492
  337   2HB   ASN  45          HB3       ASN  45 -22.516  13.844  -4.838
  338   1HD2  ASN  45          HD22      ASN  45 -24.286  14.270  -6.196
  339   2HD2  ASN  45          HD21      ASN  45 -25.690  15.189  -5.700
  340    HA   PRO  46           HA       PRO  46 -25.181   9.499  -3.390
  341   1HB   PRO  46          HB2       PRO  46 -27.899   9.806  -3.829
  342   2HB   PRO  46          HB3       PRO  46 -27.111   9.738  -2.225
  343   1HG   PRO  46          HG2       PRO  46 -27.916  12.189  -3.809
  344   2HG   PRO  46          HG3       PRO  46 -28.177  11.856  -2.066
  345   1HD   PRO  46          HD2       PRO  46 -26.127  13.402  -2.942
  346   2HD   PRO  46          HD3       PRO  46 -25.902  12.289  -1.556
  347    H    ASN  47           H        ASN  47 -25.958  12.164  -5.661
  348    HA   ASN  47           HA       ASN  47 -26.548  10.447  -7.861
  349   1HB   ASN  47          HB2       ASN  47 -26.658  12.270  -9.131
  350   2HB   ASN  47          HB3       ASN  47 -26.654  13.161  -7.627
  351   1HD2  ASN  47          HD22      ASN  47 -25.273  13.011 -10.707
  352   2HD2  ASN  47          HD21      ASN  47 -23.744  13.788 -10.364
  353    H    ALA  48           H        ALA  48 -23.438  11.572  -6.514
  354    HA   ALA  48           HA       ALA  48 -21.888  10.577  -8.741
  355   1HB   ALA  48          HB1       ALA  48 -19.968  11.025  -7.202
  356   2HB   ALA  48          HB2       ALA  48 -21.076  12.405  -7.378
  357   3HB   ALA  48          HB3       ALA  48 -21.107  11.403  -5.902
  358    H    VAL  49           H        VAL  49 -22.914   9.367  -5.560
  359    HA   VAL  49           HA       VAL  49 -21.415   6.932  -5.544
  360    HB   VAL  49           HB       VAL  49 -24.053   7.703  -4.262
  361   1HG1  VAL  49          HG11      VAL  49 -24.214   5.315  -4.551
  362   2HG1  VAL  49          HG12      VAL  49 -22.516   5.089  -4.109
  363   3HG1  VAL  49          HG13      VAL  49 -23.703   5.603  -2.883
  364   1HG2  VAL  49          HG21      VAL  49 -22.717   7.760  -2.228
  365   2HG2  VAL  49          HG22      VAL  49 -21.283   7.201  -3.115
  366   3HG2  VAL  49          HG23      VAL  49 -21.963   8.808  -3.443
  367    H    LYS  50           H        LYS  50 -24.847   7.571  -6.655
  368    HA   LYS  50           HA       LYS  50 -25.069   4.920  -7.632
  369   1HB   LYS  50          HB2       LYS  50 -26.965   6.547  -7.105
  370   2HB   LYS  50          HB3       LYS  50 -26.665   7.289  -8.689
  371   1HG   LYS  50          HG2       LYS  50 -27.031   5.029  -9.754
  372   2HG   LYS  50          HG3       LYS  50 -27.355   4.357  -8.148
  373   1HD   LYS  50          HD2       LYS  50 -29.308   5.901  -7.919
  374   2HD   LYS  50          HD3       LYS  50 -28.943   6.565  -9.514
  375   1HE   LYS  50          HE2       LYS  50 -30.734   5.018  -9.798
  376   2HE   LYS  50          HE3       LYS  50 -29.293   4.315 -10.534
  377   1HZ   LYS  50          HZ1       LYS  50 -30.529   2.703  -9.217
  378   2HZ   LYS  50          HZ2       LYS  50 -29.058   2.915  -8.551
  379   3HZ   LYS  50          HZ3       LYS  50 -30.382   3.596  -7.867
  380    H    ALA  51           H        ALA  51 -24.098   7.941  -9.317
  381    HA   ALA  51           HA       ALA  51 -23.993   6.979 -11.918
  382   1HB   ALA  51          HB1       ALA  51 -22.141   8.951 -10.495
  383   2HB   ALA  51          HB2       ALA  51 -22.231   8.752 -12.257
  384   3HB   ALA  51          HB3       ALA  51 -23.643   9.345 -11.362
  385    H    MET  52           H        MET  52 -21.368   6.754  -9.423
  386    HA   MET  52           HA       MET  52 -19.634   5.273 -11.189
  387   1HB   MET  52          HB2       MET  52 -19.687   5.790  -8.198
  388   2HB   MET  52          HB3       MET  52 -18.354   5.010  -9.050
  389   1HG   MET  52          HG2       MET  52 -19.398   7.826  -9.542
  390   2HG   MET  52          HG3       MET  52 -17.905   7.404  -8.714
  391   1HE   MET  52          HE1       MET  52 -15.724   6.653  -9.839
  392   2HE   MET  52          HE2       MET  52 -16.637   5.197 -10.282
  393   3HE   MET  52          HE3       MET  52 -15.639   5.999 -11.490
  394    H    LYS  53           H        LYS  53 -21.920   4.390  -8.566
  395    HA   LYS  53           HA       LYS  53 -21.145   1.695  -8.353
  396   1HB   LYS  53          HB2       LYS  53 -22.885   3.270  -6.978
  397   2HB   LYS  53          HB3       LYS  53 -24.047   2.350  -7.932
  398   1HG   LYS  53          HG2       LYS  53 -22.969   0.248  -6.999
  399   2HG   LYS  53          HG3       LYS  53 -21.879   1.289  -6.056
  400   1HD   LYS  53          HD2       LYS  53 -24.015   2.385  -5.073
  401   2HD   LYS  53          HD3       LYS  53 -24.905   1.078  -5.850
  402   1HE   LYS  53          HE2       LYS  53 -24.644   0.208  -3.739
  403   2HE   LYS  53          HE3       LYS  53 -23.262  -0.515  -4.562
  404   1HZ   LYS  53          HZ1       LYS  53 -22.672   0.412  -2.403
  405   2HZ   LYS  53          HZ2       LYS  53 -21.860   1.248  -3.538
  406   3HZ   LYS  53          HZ3       LYS  53 -23.177   1.900  -2.826
  407    H    GLU  54           H        GLU  54 -23.408   3.268 -10.588
  408    HA   GLU  54           HA       GLU  54 -24.305   0.907 -11.894
  409   1HB   GLU  54          HB2       GLU  54 -24.200   3.854 -12.636
  410   2HB   GLU  54          HB3       GLU  54 -24.845   2.663 -13.760
  411   1HG   GLU  54          HG2       GLU  54 -25.878   3.022 -10.919
  412   2HG   GLU  54          HG3       GLU  54 -26.554   3.832 -12.328
  413    H    VAL  55           H        VAL  55 -21.219   2.577 -12.160
  414    HA   VAL  55           HA       VAL  55 -20.508   1.309 -14.726
  415    HB   VAL  55           HB       VAL  55 -18.643   2.526 -12.638
  416   1HG1  VAL  55          HG11      VAL  55 -18.282   2.083 -15.629
  417   2HG1  VAL  55          HG12      VAL  55 -17.138   2.916 -14.554
  418   3HG1  VAL  55          HG13      VAL  55 -17.454   1.202 -14.326
  419   1HG2  VAL  55          HG21      VAL  55 -18.668   4.610 -13.917
  420   2HG2  VAL  55          HG22      VAL  55 -19.900   3.950 -15.020
  421   3HG2  VAL  55          HG23      VAL  55 -20.270   4.250 -13.306
  422    H    GLY  56           H        GLY  56 -20.594   0.547 -11.309
  423   1HA   GLY  56          HA1       GLY  56 -20.248  -1.617 -10.398
  424   2HA   GLY  56          HA2       GLY  56 -19.101  -2.004 -11.691
  425    H    ILE  57           H        ILE  57 -19.040   1.195 -10.098
  426    HA   ILE  57           HA       ILE  57 -16.512   0.466  -8.676
  427    HB   ILE  57           HB       ILE  57 -17.259   3.072 -10.052
  428   1HG1  ILE  57          HG12      ILE  57 -15.102   1.062 -10.832
  429   2HG1  ILE  57          HG13      ILE  57 -16.636   1.296 -11.674
  430   1HG2  ILE  57          HG21      ILE  57 -14.968   3.807  -9.381
  431   2HG2  ILE  57          HG22      ILE  57 -15.921   3.401  -7.965
  432   3HG2  ILE  57          HG23      ILE  57 -14.704   2.257  -8.568
  433   1HD1  ILE  57          HD11      ILE  57 -15.088   2.518 -12.933
  434   2HD1  ILE  57          HD12      ILE  57 -15.983   3.727 -12.025
  435   3HD1  ILE  57          HD13      ILE  57 -14.335   3.255 -11.508
  436    H    ASP  58           H        ASP  58 -17.302   0.234  -6.602
  437    HA   ASP  58           HA       ASP  58 -19.436   2.018  -5.625
  438   1HB   ASP  58          HB2       ASP  58 -19.257  -0.144  -4.498
  439   2HB   ASP  58          HB3       ASP  58 -17.568   0.197  -4.045
  440    H    ILE  59           H        ILE  59 -19.070   4.030  -4.920
  441    HA   ILE  59           HA       ILE  59 -16.363   4.740  -3.997
  442    HB   ILE  59           HB       ILE  59 -16.662   6.987  -4.711
  443   1HG1  ILE  59          HG12      ILE  59 -19.272   6.323  -6.107
  444   2HG1  ILE  59          HG13      ILE  59 -19.255   6.910  -4.458
  445   1HG2  ILE  59          HG21      ILE  59 -17.282   5.169  -7.048
  446   2HG2  ILE  59          HG22      ILE  59 -16.469   6.754  -7.097
  447   3HG2  ILE  59          HG23      ILE  59 -15.687   5.383  -6.298
  448   1HD1  ILE  59          HD11      ILE  59 -17.916   8.889  -5.195
  449   2HD1  ILE  59          HD12      ILE  59 -18.242   8.429  -6.870
  450   3HD1  ILE  59          HD13      ILE  59 -19.581   8.826  -5.763
  451    H    SER  60           H        SER  60 -19.409   3.957  -2.890
  452    HA   SER  60           HA       SER  60 -20.024   6.153  -1.245
  453   1HB   SER  60          HB2       SER  60 -20.624   3.304  -0.374
  454   2HB   SER  60          HB3       SER  60 -21.645   4.742  -0.252
  455    HG   SER  60           HG       SER  60 -21.045   3.091  -2.480
  456    H    ASN  61           H        ASN  61 -17.811   3.446  -0.893
  457    HA   ASN  61           HA       ASN  61 -17.181   3.612   1.865
  458   1HB   ASN  61          HB2       ASN  61 -15.301   2.219   1.334
  459   2HB   ASN  61          HB3       ASN  61 -16.645   1.685   0.336
  460   1HD2  ASN  61          HD22      ASN  61 -16.568   2.114  -1.979
  461   2HD2  ASN  61          HD21      ASN  61 -15.079   2.578  -2.771
  462    H    GLN  62           H        GLN  62 -16.375   5.866  -0.657
  463    HA   GLN  62           HA       GLN  62 -13.836   6.723   0.447
  464   1HB   GLN  62          HB2       GLN  62 -15.635   8.055  -1.615
  465   2HB   GLN  62          HB3       GLN  62 -13.947   8.461  -1.265
  466   1HG   GLN  62          HG2       GLN  62 -13.294   6.144  -1.962
  467   2HG   GLN  62          HG3       GLN  62 -14.963   5.836  -2.430
  468   1HE2  GLN  62          HE22      GLN  62 -14.780   8.965  -3.482
  469   2HE2  GLN  62          HE21      GLN  62 -14.256   8.617  -5.116
  470    H    THR  63           H        THR  63 -13.811   9.308   0.835
  471    HA   THR  63           HA       THR  63 -16.137  10.247   2.312
  472    HB   THR  63           HB       THR  63 -14.439  11.015   4.155
  473    HG1  THR  63           HG1      THR  63 -12.547  10.225   3.197
  474   1HG2  THR  63          HG21      THR  63 -14.886   9.059   5.507
  475   2HG2  THR  63          HG22      THR  63 -16.311   9.412   4.515
  476   3HG2  THR  63          HG23      THR  63 -15.229   8.075   4.068
  477    H    SER  64           H        SER  64 -16.108  12.590   2.581
  478    HA   SER  64           HA       SER  64 -14.505  13.882   0.467
  479   1HB   SER  64          HB2       SER  64 -17.162  14.622   1.768
  480   2HB   SER  64          HB3       SER  64 -16.389  15.482   0.427
  481    HG   SER  64           HG       SER  64 -17.980  13.961  -0.276
  482    H    ASP  65           H        ASP  65 -13.539  15.884   0.831
  483    HA   ASP  65           HA       ASP  65 -13.509  17.100   3.479
  484   1HB   ASP  65          HB2       ASP  65 -11.754  15.220   3.527
  485   2HB   ASP  65          HB3       ASP  65 -10.913  16.098   2.238
  486    H    ILE  66           H        ILE  66 -12.301  19.186   3.359
  487    HA   ILE  66           HA       ILE  66 -12.378  20.321   0.631
  488    HB   ILE  66           HB       ILE  66 -12.551  22.409   1.585
  489   1HG1  ILE  66          HG12      ILE  66 -11.665  21.258   4.251
  490   2HG1  ILE  66          HG13      ILE  66 -10.799  22.423   3.225
  491   1HG2  ILE  66          HG21      ILE  66 -14.576  22.291   2.858
  492   2HG2  ILE  66          HG22      ILE  66 -14.524  20.812   1.882
  493   3HG2  ILE  66          HG23      ILE  66 -14.120  20.748   3.600
  494   1HD1  ILE  66          HD11      ILE  66 -13.344  22.875   4.801
  495   2HD1  ILE  66          HD12      ILE  66 -11.776  23.682   4.996
  496   3HD1  ILE  66          HD13      ILE  66 -12.771  24.000   3.546
  497    H    ILE  67           H        ILE  67 -10.480  21.736   0.089
  498    HA   ILE  67           HA       ILE  67  -8.290  20.096  -0.137
  499    HB   ILE  67           HB       ILE  67  -8.871  21.752  -1.707
  500   1HG1  ILE  67          HG12      ILE  67  -6.484  20.915  -1.430
  501   2HG1  ILE  67          HG13      ILE  67  -6.791  22.257  -2.505
  502   1HG2  ILE  67          HG21      ILE  67  -9.711  23.589  -0.420
  503   2HG2  ILE  67          HG22      ILE  67  -8.103  23.908   0.282
  504   3HG2  ILE  67          HG23      ILE  67  -8.396  24.150  -1.451
  505   1HD1  ILE  67          HD11      ILE  67  -5.850  23.865  -1.043
  506   2HD1  ILE  67          HD12      ILE  67  -5.756  22.735   0.314
  507   3HD1  ILE  67          HD13      ILE  67  -4.730  22.490  -1.098
  508    H    ASP  68           H        ASP  68  -6.420  19.728   0.749
  509    HA   ASP  68           HA       ASP  68  -5.611  21.237   3.186
  510   1HB   ASP  68          HB2       ASP  68  -6.541  19.013   3.744
  511   2HB   ASP  68          HB3       ASP  68  -5.350  18.251   2.678
  512    H    SER  69           H        SER  69  -3.773  22.301   2.758
  513    HA   SER  69           HA       SER  69  -2.198  21.958   0.451
  514   1HB   SER  69          HB2       SER  69  -0.568  23.394   1.912
  515   2HB   SER  69          HB3       SER  69  -2.086  24.069   1.308
  516    HG   SER  69           HG       SER  69  -1.767  24.505   3.539
  517    H    ASP  70           H        ASP  70  -2.134  20.344   3.583
  518    HA   ASP  70           HA       ASP  70   0.572  19.452   3.490
  519   1HB   ASP  70          HB2       ASP  70  -0.825  19.756   5.548
  520   2HB   ASP  70          HB3       ASP  70  -1.718  18.299   5.096
  521    H    ILE  71           H        ILE  71  -1.894  18.509   1.470
  522    HA   ILE  71           HA       ILE  71  -0.472  15.927   0.895
  523    HB   ILE  71           HB       ILE  71  -3.441  16.568   0.577
  524   1HG1  ILE  71          HG12      ILE  71  -1.995  14.336   2.075
  525   2HG1  ILE  71          HG13      ILE  71  -2.665  15.788   2.835
  526   1HG2  ILE  71          HG21      ILE  71  -1.900  14.134  -0.446
  527   2HG2  ILE  71          HG22      ILE  71  -3.665  14.355  -0.506
  528   3HG2  ILE  71          HG23      ILE  71  -2.633  15.397  -1.458
  529   1HD1  ILE  71          HD11      ILE  71  -4.223  14.018   3.199
  530   2HD1  ILE  71          HD12      ILE  71  -4.947  15.113   2.004
  531   3HD1  ILE  71          HD13      ILE  71  -4.238  13.558   1.493
  532    H    LEU  72           H        LEU  72  -2.380  18.676  -0.419
  533    HA   LEU  72           HA       LEU  72  -1.869  18.514  -3.093
  534   1HB   LEU  72          HB2       LEU  72  -3.209  20.251  -1.911
  535   2HB   LEU  72          HB3       LEU  72  -1.726  20.887  -1.228
  536    HG   LEU  72           HG       LEU  72  -1.071  21.237  -3.805
  537   1HD1  LEU  72          HD11      LEU  72  -4.120  21.445  -3.784
  538   2HD1  LEU  72          HD12      LEU  72  -3.048  21.957  -5.100
  539   3HD1  LEU  72          HD13      LEU  72  -3.173  20.242  -4.680
  540   1HD2  LEU  72          HD21      LEU  72  -2.898  23.016  -2.168
  541   2HD2  LEU  72          HD22      LEU  72  -1.130  22.941  -2.058
  542   3HD2  LEU  72          HD23      LEU  72  -1.908  23.546  -3.543
  543    H    ASN  73           H        ASN  73   0.342  20.098  -0.715
  544    HA   ASN  73           HA       ASN  73   2.215  20.833  -2.690
  545   1HB   ASN  73          HB2       ASN  73   3.434  21.826  -1.042
  546   2HB   ASN  73          HB3       ASN  73   1.845  21.794  -0.284
  547   1HD2  ASN  73          HD22      ASN  73   1.465  20.020   1.309
  548   2HD2  ASN  73          HD21      ASN  73   2.833  19.510   2.287
  549    H    ASN  74           H        ASN  74   1.718  17.686  -1.645
  550    HA   ASN  74           HA       ASN  74   4.474  16.888  -2.408
  551   1HB   ASN  74          HB2       ASN  74   4.481  15.160  -0.660
  552   2HB   ASN  74          HB3       ASN  74   4.445  16.783   0.008
  553   1HD2  ASN  74          HD22      ASN  74   2.684  17.452   1.222
  554   2HD2  ASN  74          HD21      ASN  74   1.437  16.358   1.767
  555    H    ALA  75           H        ALA  75   1.341  16.762  -3.380
  556    HA   ALA  75           HA       ALA  75   1.135  14.000  -4.104
  557   1HB   ALA  75          HB1       ALA  75  -0.104  16.487  -5.345
  558   2HB   ALA  75          HB2       ALA  75  -0.591  14.810  -5.673
  559   3HB   ALA  75          HB3       ALA  75  -0.826  15.500  -4.056
  560    H    ASP  76           H        ASP  76   1.636  13.146  -6.334
  561    HA   ASP  76           HA       ASP  76   4.041  14.379  -7.531
  562   1HB   ASP  76          HB2       ASP  76   3.780  11.906  -7.514
  563   2HB   ASP  76          HB3       ASP  76   2.309  12.061  -8.485
  564    H    LEU  77           H        LEU  77   0.547  14.161  -7.993
  565    HA   LEU  77           HA       LEU  77   0.625  16.225 -10.104
  566   1HB   LEU  77          HB2       LEU  77   0.573  14.169 -11.310
  567   2HB   LEU  77          HB3       LEU  77  -0.632  13.475 -10.212
  568    HG   LEU  77           HG       LEU  77  -2.309  15.136 -11.067
  569   1HD1  LEU  77          HD11      LEU  77  -0.721  16.837 -12.008
  570   2HD1  LEU  77          HD12      LEU  77  -0.244  15.654 -13.250
  571   3HD1  LEU  77          HD13      LEU  77  -1.894  16.274 -13.195
  572   1HD2  LEU  77          HD21      LEU  77  -2.200  12.814 -11.888
  573   2HD2  LEU  77          HD22      LEU  77  -2.711  13.921 -13.170
  574   3HD2  LEU  77          HD23      LEU  77  -1.048  13.295 -13.141
  575    H    VAL  78           H        VAL  78  -1.044  17.558 -10.048
  576    HA   VAL  78           HA       VAL  78  -3.344  17.093  -8.203
  577    HB   VAL  78           HB       VAL  78  -1.653  19.577  -8.725
  578   1HG1  VAL  78          HG11      VAL  78  -4.029  20.308  -8.798
  579   2HG1  VAL  78          HG12      VAL  78  -4.334  19.493  -7.249
  580   3HG1  VAL  78          HG13      VAL  78  -3.226  20.886  -7.341
  581   1HG2  VAL  78          HG21      VAL  78  -0.948  18.017  -6.881
  582   2HG2  VAL  78          HG22      VAL  78  -1.354  19.645  -6.323
  583   3HG2  VAL  78          HG23      VAL  78  -2.499  18.296  -6.085
  584    H    VAL  79           H        VAL  79  -5.329  17.367  -9.336
  585    HA   VAL  79           HA       VAL  79  -5.101  18.909 -11.848
  586    HB   VAL  79           HB       VAL  79  -6.517  17.599 -13.162
  587   1HG1  VAL  79          HG11      VAL  79  -4.468  15.681 -11.984
  588   2HG1  VAL  79          HG12      VAL  79  -5.122  15.706 -13.637
  589   3HG1  VAL  79          HG13      VAL  79  -4.076  17.023 -13.077
  590   1HG2  VAL  79          HG21      VAL  79  -7.326  15.371 -12.524
  591   2HG2  VAL  79          HG22      VAL  79  -6.728  15.627 -10.864
  592   3HG2  VAL  79          HG23      VAL  79  -8.028  16.653 -11.538
  593    H    THR  80           H        THR  80  -6.535  20.401 -12.154
  594    HA   THR  80           HA       THR  80  -8.526  20.829  -9.999
  595    HB   THR  80           HB       THR  80  -8.446  23.191 -10.997
  596    HG1  THR  80           HG1      THR  80  -7.399  22.746 -12.921
  597   1HG2  THR  80          HG21      THR  80  -6.114  21.813  -9.588
  598   2HG2  THR  80          HG22      THR  80  -6.106  23.548  -9.914
  599   3HG2  THR  80          HG23      THR  80  -7.375  22.845  -8.904
  600    H    LEU  81           H        LEU  81 -10.227  19.684 -10.561
  601    HA   LEU  81           HA       LEU  81 -10.771  18.772 -13.188
  602   1HB   LEU  81          HB2       LEU  81 -12.405  18.794 -10.630
  603   2HB   LEU  81          HB3       LEU  81 -12.906  17.923 -12.076
  604    HG   LEU  81           HG       LEU  81 -10.300  17.406 -10.560
  605   1HD1  LEU  81          HD11      LEU  81 -11.408  15.348  -9.780
  606   2HD1  LEU  81          HD12      LEU  81 -12.203  16.805  -9.174
  607   3HD1  LEU  81          HD13      LEU  81 -12.934  15.885 -10.515
  608   1HD2  LEU  81          HD21      LEU  81 -11.679  15.955 -12.858
  609   2HD2  LEU  81          HD22      LEU  81 -10.074  16.731 -12.866
  610   3HD2  LEU  81          HD23      LEU  81 -10.347  15.268 -11.922
  611    H    CYS  82           H        CYS  82 -11.522  21.882 -11.941
  612    HA   CYS  82           HA       CYS  82 -13.083  22.337 -14.322
  613   1HB   CYS  82          HB2       CYS  82 -14.822  21.726 -12.663
  614   2HB   CYS  82          HB3       CYS  82 -14.280  23.056 -11.612
  615    HG   CYS  82           HG       CYS  82 -16.541  23.611 -12.956
  616    H    GLY  83           H        GLY  83 -12.871  24.538 -14.982
  617   1HA   GLY  83          HA1       GLY  83 -10.328  25.556 -14.477
  618   2HA   GLY  83          HA2       GLY  83 -11.627  26.412 -15.327
  619    H    ASP  84           H        ASP  84 -13.487  26.663 -13.124
  620    HA   ASP  84           HA       ASP  84 -12.417  28.991 -11.857
  621   1HB   ASP  84          HB2       ASP  84 -14.833  28.595 -12.309
  622   2HB   ASP  84          HB3       ASP  84 -14.849  27.355 -11.051
  623    H    ALA  85           H        ALA  85 -12.290  25.597 -10.973
  624    HA   ALA  85           HA       ALA  85 -11.772  26.013  -8.144
  625   1HB   ALA  85          HB1       ALA  85 -10.973  23.564  -9.762
  626   2HB   ALA  85          HB2       ALA  85 -11.415  23.682  -8.054
  627   3HB   ALA  85          HB3       ALA  85 -12.661  23.843  -9.303
  628    H    ALA  86           H        ALA  86  -9.882  26.180 -11.100
  629    HA   ALA  86           HA       ALA  86  -7.447  25.190 -10.116
  630   1HB   ALA  86          HB1       ALA  86  -8.046  25.398 -12.513
  631   2HB   ALA  86          HB2       ALA  86  -7.876  27.170 -12.380
  632   3HB   ALA  86          HB3       ALA  86  -6.468  26.125 -12.140
  633    H    ASP  87           H        ASP  87  -8.865  28.322  -9.566
  634    HA   ASP  87           HA       ASP  87  -6.534  29.807  -8.916
  635   1HB   ASP  87          HB2       ASP  87  -8.759  30.818  -9.137
  636   2HB   ASP  87          HB3       ASP  87  -9.338  29.895  -7.745
  637    H    LYS  88           H        LYS  88  -8.273  27.268  -7.162
  638    HA   LYS  88           HA       LYS  88  -7.006  27.969  -4.616
  639   1HB   LYS  88          HB2       LYS  88  -9.451  27.278  -4.932
  640   2HB   LYS  88          HB3       LYS  88  -8.857  25.646  -5.223
  641   1HG   LYS  88          HG2       LYS  88  -9.535  25.743  -2.974
  642   2HG   LYS  88          HG3       LYS  88  -7.765  25.744  -2.930
  643   1HD   LYS  88          HD2       LYS  88  -7.729  28.153  -2.484
  644   2HD   LYS  88          HD3       LYS  88  -9.492  28.254  -2.723
  645   1HE   LYS  88          HE2       LYS  88  -9.837  26.692  -0.841
  646   2HE   LYS  88          HE3       LYS  88  -8.091  26.587  -0.588
  647   1HZ   LYS  88          HZ1       LYS  88  -8.095  28.967  -0.057
  648   2HZ   LYS  88          HZ2       LYS  88  -9.711  29.059  -0.287
  649   3HZ   LYS  88          HZ3       LYS  88  -9.109  28.169   0.936
  650    H    CYS  89           H        CYS  89  -4.892  27.574  -5.914
  651    HA   CYS  89           HA       CYS  89  -3.927  24.833  -5.183
  652   1HB   CYS  89          HB2       CYS  89  -2.910  26.569  -7.467
  653   2HB   CYS  89          HB3       CYS  89  -2.208  25.041  -6.917
  654    HG   CYS  89           HG       CYS  89  -5.075  25.734  -8.359
  655    HA   PRO  90           HA       PRO  90  -2.312  28.345  -2.656
  656   1HB   PRO  90          HB2       PRO  90  -2.066  27.001  -0.216
  657   2HB   PRO  90          HB3       PRO  90  -3.483  27.924  -0.793
  658   1HG   PRO  90          HG2       PRO  90  -2.998  24.953  -0.921
  659   2HG   PRO  90          HG3       PRO  90  -4.511  25.816  -0.507
  660   1HD   PRO  90          HD2       PRO  90  -4.144  24.775  -2.979
  661   2HD   PRO  90          HD3       PRO  90  -4.940  26.357  -2.759
  662    H    MET  91           H        MET  91  -0.876  25.108  -2.969
  663    HA   MET  91           HA       MET  91   1.714  26.311  -3.296
  664   1HB   MET  91          HB2       MET  91   1.579  26.170  -0.817
  665   2HB   MET  91          HB3       MET  91   1.314  24.429  -0.920
  666   1HG   MET  91          HG2       MET  91   3.531  24.049  -1.699
  667   2HG   MET  91          HG3       MET  91   3.737  25.729  -2.192
  668   1HE   MET  91          HE1       MET  91   3.807  24.431   2.278
  669   2HE   MET  91          HE2       MET  91   2.327  24.403   1.299
  670   3HE   MET  91          HE3       MET  91   3.653  23.262   0.957
  671    H    THR  92           H        THR  92   1.818  25.373  -5.332
  672    HA   THR  92           HA       THR  92   2.076  22.405  -5.407
  673    HB   THR  92           HB       THR  92   1.111  22.502  -7.726
  674    HG1  THR  92           HG1      THR  92   1.210  24.785  -8.014
  675   1HG2  THR  92          HG21      THR  92  -1.189  22.475  -7.019
  676   2HG2  THR  92          HG22      THR  92  -0.172  21.694  -5.799
  677   3HG2  THR  92          HG23      THR  92  -0.787  23.340  -5.522
  678    HA   PRO  93           HA       PRO  93   5.964  24.591  -6.761
  679   1HB   PRO  93          HB2       PRO  93   7.749  22.986  -5.405
  680   2HB   PRO  93          HB3       PRO  93   6.901  24.368  -4.652
  681   1HG   PRO  93          HG2       PRO  93   6.143  21.432  -4.556
  682   2HG   PRO  93          HG3       PRO  93   6.275  22.586  -3.189
  683   1HD   PRO  93          HD2       PRO  93   3.890  22.020  -4.347
  684   2HD   PRO  93          HD3       PRO  93   4.274  23.676  -3.796
  685    HA   PRO  94           HA       PRO  94   6.961  21.924 -10.136
  686   1HB   PRO  94          HB2       PRO  94   9.810  21.690  -9.139
  687   2HB   PRO  94          HB3       PRO  94   9.226  21.999 -10.807
  688   1HG   PRO  94          HG2       PRO  94  10.084  24.062  -9.286
  689   2HG   PRO  94          HG3       PRO  94   8.570  24.234 -10.236
  690   1HD   PRO  94          HD2       PRO  94   8.890  23.644  -7.292
  691   2HD   PRO  94          HD3       PRO  94   7.738  24.742  -8.108
  692    H    HIS  95           H        HIS  95   7.874  20.584  -6.993
  693    HA   HIS  95           HA       HIS  95   8.235  17.859  -7.775
  694   1HB   HIS  95          HB2       HIS  95   7.107  18.964  -5.172
  695   2HB   HIS  95          HB3       HIS  95   7.823  17.375  -5.416
  696    HD1  HIS  95           HD1      HIS  95  10.606  17.763  -6.486
  697    HD2  HIS  95           HD2      HIS  95   8.736  20.574  -3.964
  698    HE1  HIS  95           HE1      HIS  95  12.469  19.162  -5.467
  699    H    VAL  96           H        VAL  96   5.462  19.825  -7.941
  700    HA   VAL  96           HA       VAL  96   3.501  17.589  -7.892
  701    HB   VAL  96           HB       VAL  96   3.074  20.497  -7.035
  702   1HG1  VAL  96          HG11      VAL  96   1.028  19.648  -6.056
  703   2HG1  VAL  96          HG12      VAL  96   1.086  19.261  -7.781
  704   3HG1  VAL  96          HG13      VAL  96   1.425  18.000  -6.576
  705   1HG2  VAL  96          HG21      VAL  96   3.004  19.760  -4.704
  706   2HG2  VAL  96          HG22      VAL  96   3.687  18.193  -5.170
  707   3HG2  VAL  96          HG23      VAL  96   4.624  19.681  -5.394
  708    H    LYS  97           H        LYS  97   3.386  17.303 -10.155
  709    HA   LYS  97           HA       LYS  97   3.365  19.659 -11.900
  710   1HB   LYS  97          HB2       LYS  97   3.315  18.199 -13.710
  711   2HB   LYS  97          HB3       LYS  97   4.361  17.439 -12.526
  712   1HG   LYS  97          HG2       LYS  97   1.930  16.242 -11.951
  713   2HG   LYS  97          HG3       LYS  97   1.778  16.555 -13.690
  714   1HD   LYS  97          HD2       LYS  97   4.097  15.468 -13.941
  715   2HD   LYS  97          HD3       LYS  97   3.970  15.026 -12.226
  716   1HE   LYS  97          HE2       LYS  97   1.707  13.926 -12.896
  717   2HE   LYS  97          HE3       LYS  97   2.258  14.106 -14.568
  718   1HZ   LYS  97          HZ1       LYS  97   2.873  11.939 -13.707
  719   2HZ   LYS  97          HZ2       LYS  97   4.259  12.793 -13.868
  720   3HZ   LYS  97          HZ3       LYS  97   3.572  12.584 -12.380
  721    H    ARG  98           H        ARG  98   1.433  19.896 -13.398
  722    HA   ARG  98           HA       ARG  98  -1.090  19.482 -11.929
  723   1HB   ARG  98          HB2       ARG  98   0.232  22.107 -12.610
  724   2HB   ARG  98          HB3       ARG  98  -1.509  21.984 -12.826
  725   1HG   ARG  98          HG2       ARG  98  -1.662  21.061 -10.454
  726   2HG   ARG  98          HG3       ARG  98   0.037  21.437 -10.256
  727   1HD   ARG  98          HD2       ARG  98  -1.561  23.137  -9.293
  728   2HD   ARG  98          HD3       ARG  98  -0.340  23.772 -10.385
  729    HE   ARG  98           HE       ARG  98  -2.061  24.807 -11.354
  730   1HH1  ARG  98          HH21      ARG  98  -3.320  21.492 -10.839
  731   2HH1  ARG  98          HH22      ARG  98  -4.745  21.819 -11.786
  732   1HH2  ARG  98          HH11      ARG  98  -4.074  25.175 -12.381
  733   2HH2  ARG  98          HH12      ARG  98  -5.265  23.901 -12.396
  734    H    GLU  99           H        GLU  99  -2.980  19.647 -13.085
  735    HA   GLU  99           HA       GLU  99  -2.931  20.162 -15.938
  736   1HB   GLU  99          HB2       GLU  99  -2.849  17.471 -15.055
  737   2HB   GLU  99          HB3       GLU  99  -4.555  17.758 -15.405
  738   1HG   GLU  99          HG2       GLU  99  -2.227  18.272 -17.313
  739   2HG   GLU  99          HG3       GLU  99  -3.224  16.818 -17.283
  740    H    HIS 100           H        HIS 100  -5.360  20.260 -16.635
  741    HA   HIS 100           HA       HIS 100  -7.127  21.167 -14.473
  742   1HB   HIS 100          HB2       HIS 100  -7.268  23.434 -15.428
  743   2HB   HIS 100          HB3       HIS 100  -5.696  23.076 -14.740
  744    HD1  HIS 100           HD1      HIS 100  -4.847  21.585 -17.822
  745    HD2  HIS 100           HD2      HIS 100  -6.068  25.478 -16.719
  746    HE1  HIS 100           HE1      HIS 100  -3.954  23.150 -19.597
  747    H    TRP 101           H        TRP 101  -9.119  20.569 -14.974
  748    HA   TRP 101           HA       TRP 101  -9.930  20.317 -17.842
  749   1HB   TRP 101          HB2       TRP 101 -10.864  18.558 -15.574
  750   2HB   TRP 101          HB3       TRP 101 -11.272  18.443 -17.288
  751    HD1  TRP 101           HD1      TRP 101  -8.207  18.843 -18.316
  752    HE1  TRP 101           HE1      TRP 101  -6.439  17.087 -18.040
  753    HE3  TRP 101           HE3      TRP 101 -10.659  15.856 -14.982
  754    HZ2  TRP 101           HZ2      TRP 101  -6.028  14.709 -16.412
  755    HZ3  TRP 101           HZ3      TRP 101  -9.546  13.834 -14.077
  756    HH2  TRP 101           HH2      TRP 101  -7.215  13.272 -14.750
  757    H    GLY 102           H        GLY 102 -12.678  20.124 -17.583
  758   1HA   GLY 102          HA1       GLY 102 -13.395  22.773 -16.369
  759   2HA   GLY 102          HA2       GLY 102 -13.639  22.417 -18.067
  760    H    PHE 103           H        PHE 103 -14.273  20.317 -15.175
  761    HA   PHE 103           HA       PHE 103 -16.827  19.631 -16.382
  762   1HB   PHE 103          HB2       PHE 103 -15.356  18.563 -13.959
  763   2HB   PHE 103          HB3       PHE 103 -16.931  17.978 -14.505
  764    HD1  PHE 103           HD1      PHE 103 -13.345  17.737 -15.058
  765    HD2  PHE 103           HD2      PHE 103 -17.188  17.234 -16.952
  766    HE1  PHE 103           HE1      PHE 103 -12.276  16.497 -16.914
  767    HE2  PHE 103           HE2      PHE 103 -16.116  16.031 -18.812
  768    HZ   PHE 103           HZ       PHE 103 -13.643  15.645 -18.803
  769    H    ASP 104           H        ASP 104 -18.461  20.920 -16.180
  770    HA   ASP 104           HA       ASP 104 -19.109  22.590 -13.933
  771   1HB   ASP 104          HB2       ASP 104 -19.992  22.921 -16.239
  772   2HB   ASP 104          HB3       ASP 104 -20.845  21.373 -16.108
  773    H    ASP 105           H        ASP 105 -20.919  22.209 -12.441
  774    HA   ASP 105           HA       ASP 105 -20.457  19.693 -11.161
  775   1HB   ASP 105          HB2       ASP 105 -20.819  21.946 -10.062
  776   2HB   ASP 105          HB3       ASP 105 -22.548  21.704 -10.329
  777    HA   PRO 106           HA       PRO 106 -23.712  17.737 -13.460
  778   1HB   PRO 106          HB2       PRO 106 -23.585  15.168 -12.444
  779   2HB   PRO 106          HB3       PRO 106 -22.386  15.845 -13.583
  780   1HG   PRO 106          HG2       PRO 106 -22.202  15.657 -10.563
  781   2HG   PRO 106          HG3       PRO 106 -20.959  15.235 -11.783
  782   1HD   PRO 106          HD2       PRO 106 -20.963  17.627 -10.474
  783   2HD   PRO 106          HD3       PRO 106 -20.450  17.494 -12.187
  784    H    ALA 107           H        ALA 107 -23.670  17.601  -9.894
  785    HA   ALA 107           HA       ALA 107 -26.320  16.553  -9.641
  786   1HB   ALA 107          HB1       ALA 107 -26.100  17.198  -7.275
  787   2HB   ALA 107          HB2       ALA 107 -24.635  16.377  -7.855
  788   3HB   ALA 107          HB3       ALA 107 -24.647  18.138  -7.653
  789    H    ARG 108           H        ARG 108 -25.169  19.683 -10.528
  790    HA   ARG 108           HA       ARG 108 -27.804  20.943  -9.917
  791   1HB   ARG 108          HB2       ARG 108 -25.047  22.214 -10.291
  792   2HB   ARG 108          HB3       ARG 108 -26.562  23.092 -10.101
  793   1HG   ARG 108          HG2       ARG 108 -25.831  23.170  -7.961
  794   2HG   ARG 108          HG3       ARG 108 -26.853  21.728  -7.899
  795   1HD   ARG 108          HD2       ARG 108 -24.778  20.330  -8.166
  796   2HD   ARG 108          HD3       ARG 108 -23.813  21.814  -8.129
  797    HE   ARG 108           HE       ARG 108 -25.376  21.893  -5.838
  798   1HH1  ARG 108          HH21      ARG 108 -22.874  19.684  -7.133
  799   2HH1  ARG 108          HH22      ARG 108 -22.365  19.161  -5.570
  800   1HH2  ARG 108          HH11      ARG 108 -24.691  21.161  -3.780
  801   2HH2  ARG 108          HH12      ARG 108 -23.433  19.997  -3.631
  802    H    ALA 109           H        ALA 109 -26.683  19.235 -12.370
  803    HA   ALA 109           HA       ALA 109 -26.709  20.932 -14.601
  804   1HB   ALA 109          HB1       ALA 109 -26.022  18.579 -14.704
  805   2HB   ALA 109          HB2       ALA 109 -27.686  18.047 -14.380
  806   3HB   ALA 109          HB3       ALA 109 -27.306  18.898 -15.890
  807    H    GLN 110           H        GLN 110 -29.405  19.310 -12.982
  808    HA   GLN 110           HA       GLN 110 -31.664  19.483 -13.069
  809   1HB   GLN 110          HB2       GLN 110 -31.013  22.423 -13.486
  810   2HB   GLN 110          HB3       GLN 110 -32.573  21.782 -12.963
  811   1HG   GLN 110          HG2       GLN 110 -31.535  20.815 -10.946
  812   2HG   GLN 110          HG3       GLN 110 -29.980  21.512 -11.393
  813   1HE2  GLN 110          HE22      GLN 110 -32.242  22.020  -9.181
  814   2HE2  GLN 110          HE21      GLN 110 -32.293  23.763  -9.131
  815    H    GLY 111           H        GLY 111 -33.414  21.129 -14.502
  816   1HA   GLY 111          HA1       GLY 111 -33.955  21.857 -16.731
  817   2HA   GLY 111          HA2       GLY 111 -32.939  20.569 -17.395
  818    H    THR 112           H        THR 112 -33.562  18.302 -16.703
  819    HA   THR 112           HA       THR 112 -36.169  17.785 -15.677
  820    HB   THR 112           HB       THR 112 -36.876  18.173 -17.969
  821    HG1  THR 112           HG1      THR 112 -37.998  16.558 -17.096
  822   1HG2  THR 112          HG21      THR 112 -36.120  16.781 -19.852
  823   2HG2  THR 112          HG22      THR 112 -34.835  17.824 -19.236
  824   3HG2  THR 112          HG23      THR 112 -34.844  16.089 -18.832
  825    H    GLU 113           H        GLU 113 -36.289  15.393 -15.139
  826    HA   GLU 113           HA       GLU 113 -33.843  14.786 -13.883
  827   1HB   GLU 113          HB2       GLU 113 -35.969  14.028 -13.000
  828   2HB   GLU 113          HB3       GLU 113 -36.254  13.008 -14.424
  829   1HG   GLU 113          HG2       GLU 113 -34.354  11.597 -13.882
  830   2HG   GLU 113          HG3       GLU 113 -33.852  12.677 -12.573
  831    H    GLU 114           H        GLU 114 -35.198  13.533 -16.920
  832    HA   GLU 114           HA       GLU 114 -33.126  11.610 -17.310
  833   1HB   GLU 114          HB2       GLU 114 -33.945  11.393 -19.586
  834   2HB   GLU 114          HB3       GLU 114 -35.278  11.407 -18.434
  835   1HG   GLU 114          HG2       GLU 114 -35.722  13.800 -18.998
  836   2HG   GLU 114          HG3       GLU 114 -34.405  13.757 -20.175
  837    H    GLU 115           H        GLU 115 -33.306  15.075 -17.979
  838    HA   GLU 115           HA       GLU 115 -30.995  15.094 -19.708
  839   1HB   GLU 115          HB2       GLU 115 -32.665  16.756 -20.044
  840   2HB   GLU 115          HB3       GLU 115 -32.574  17.304 -18.362
  841   1HG   GLU 115          HG2       GLU 115 -30.485  18.322 -18.657
  842   2HG   GLU 115          HG3       GLU 115 -30.135  17.420 -20.140
  843    H    LYS 116           H        LYS 116 -31.735  15.818 -16.293
  844    HA   LYS 116           HA       LYS 116 -29.190  16.530 -15.396
  845   1HB   LYS 116          HB2       LYS 116 -31.409  16.818 -14.295
  846   2HB   LYS 116          HB3       LYS 116 -31.483  15.078 -13.986
  847   1HG   LYS 116          HG2       LYS 116 -29.594  15.183 -12.523
  848   2HG   LYS 116          HG3       LYS 116 -29.284  16.886 -12.950
  849   1HD   LYS 116          HD2       LYS 116 -31.753  17.257 -12.055
  850   2HD   LYS 116          HD3       LYS 116 -31.506  15.674 -11.277
  851   1HE   LYS 116          HE2       LYS 116 -29.289  16.674 -10.396
  852   2HE   LYS 116          HE3       LYS 116 -29.889  18.234 -10.979
  853   1HZ   LYS 116          HZ1       LYS 116 -31.202  16.556  -8.912
  854   2HZ   LYS 116          HZ2       LYS 116 -30.368  17.929  -8.639
  855   3HZ   LYS 116          HZ3       LYS 116 -31.783  17.983  -9.454
  856    H    TRP 117           H        TRP 117 -30.752  13.296 -15.463
  857    HA   TRP 117           HA       TRP 117 -28.467  11.856 -14.565
  858   1HB   TRP 117          HB2       TRP 117 -30.758  10.914 -14.632
  859   2HB   TRP 117          HB3       TRP 117 -30.701  10.896 -16.395
  860    HD1  TRP 117           HD1      TRP 117 -29.214   9.015 -17.548
  861    HE1  TRP 117           HE1      TRP 117 -28.124   6.837 -16.711
  862    HE3  TRP 117           HE3      TRP 117 -29.534   9.821 -12.507
  863    HZ2  TRP 117           HZ2      TRP 117 -27.264   5.733 -14.219
  864    HZ3  TRP 117           HZ3      TRP 117 -28.437   8.265 -10.926
  865    HH2  TRP 117           HH2      TRP 117 -27.293   6.212 -11.765
  866    H    ALA 118           H        ALA 118 -29.539  12.721 -17.930
  867    HA   ALA 118           HA       ALA 118 -27.442  11.369 -19.243
  868   1HB   ALA 118          HB1       ALA 118 -27.880  12.914 -21.122
  869   2HB   ALA 118          HB2       ALA 118 -29.390  12.297 -20.421
  870   3HB   ALA 118          HB3       ALA 118 -28.846  13.950 -20.060
  871    H    PHE 119           H        PHE 119 -27.459  14.575 -17.646
  872    HA   PHE 119           HA       PHE 119 -24.842  15.306 -18.505
  873   1HB   PHE 119          HB2       PHE 119 -26.779  16.706 -17.402
  874   2HB   PHE 119          HB3       PHE 119 -26.026  16.232 -15.889
  875    HD1  PHE 119           HD1      PHE 119 -23.578  16.891 -15.484
  876    HD2  PHE 119           HD2      PHE 119 -25.873  18.394 -18.810
  877    HE1  PHE 119           HE1      PHE 119 -22.018  18.818 -15.687
  878    HE2  PHE 119           HE2      PHE 119 -24.277  20.277 -19.057
  879    HZ   PHE 119           HZ       PHE 119 -22.357  20.494 -17.505
  880    H    PHE 120           H        PHE 120 -26.042  13.502 -15.594
  881    HA   PHE 120           HA       PHE 120 -23.548  13.154 -14.292
  882   1HB   PHE 120          HB2       PHE 120 -25.652  10.983 -14.507
  883   2HB   PHE 120          HB3       PHE 120 -24.399  11.148 -13.313
  884    HD1  PHE 120           HD1      PHE 120 -26.866  10.451 -12.383
  885    HD2  PHE 120           HD2      PHE 120 -25.544  14.449 -13.320
  886    HE1  PHE 120           HE1      PHE 120 -28.574  11.382 -10.844
  887    HE2  PHE 120           HE2      PHE 120 -27.203  15.356 -11.745
  888    HZ   PHE 120           HZ       PHE 120 -28.736  13.840 -10.511
  889    H    GLN 121           H        GLN 121 -25.147  11.234 -16.897
  890    HA   GLN 121           HA       GLN 121 -23.147   9.283 -17.216
  891   1HB   GLN 121          HB2       GLN 121 -25.118  10.411 -19.242
  892   2HB   GLN 121          HB3       GLN 121 -24.078   9.040 -19.563
  893   1HG   GLN 121          HG2       GLN 121 -26.137   9.168 -17.315
  894   2HG   GLN 121          HG3       GLN 121 -26.380   8.385 -18.873
  895   1HE2  GLN 121          HE22      GLN 121 -25.844   7.566 -15.772
  896   2HE2  GLN 121          HE21      GLN 121 -24.827   6.161 -15.984
  897    H    ARG 122           H        ARG 122 -23.483  12.407 -18.946
  898    HA   ARG 122           HA       ARG 122 -21.159  12.070 -20.557
  899   1HB   ARG 122          HB2       ARG 122 -22.768  14.481 -19.673
  900   2HB   ARG 122          HB3       ARG 122 -21.159  14.743 -20.331
  901   1HG   ARG 122          HG2       ARG 122 -22.659  14.959 -22.145
  902   2HG   ARG 122          HG3       ARG 122 -21.751  13.458 -22.373
  903   1HD   ARG 122          HD2       ARG 122 -23.725  12.208 -21.413
  904   2HD   ARG 122          HD3       ARG 122 -24.606  13.754 -21.364
  905    HE   ARG 122           HE       ARG 122 -23.724  13.522 -23.975
  906   1HH1  ARG 122          HH11      ARG 122 -25.740  11.580 -21.811
  907   2HH1  ARG 122          HH12      ARG 122 -26.707  10.894 -23.071
  908   1HH2  ARG 122          HH21      ARG 122 -25.012  12.629 -25.672
  909   2HH2  ARG 122          HH22      ARG 122 -26.285  11.523 -25.320
  910    H    VAL 123           H        VAL 123 -21.497  13.694 -17.339
  911    HA   VAL 123           HA       VAL 123 -18.722  14.340 -17.293
  912    HB   VAL 123           HB       VAL 123 -20.756  14.200 -15.031
  913   1HG1  VAL 123          HG11      VAL 123 -18.477  14.066 -14.071
  914   2HG1  VAL 123          HG12      VAL 123 -17.964  15.448 -15.055
  915   3HG1  VAL 123          HG13      VAL 123 -19.177  15.662 -13.774
  916   1HG2  VAL 123          HG21      VAL 123 -21.256  15.915 -16.782
  917   2HG2  VAL 123          HG22      VAL 123 -20.736  16.691 -15.284
  918   3HG2  VAL 123          HG23      VAL 123 -19.610  16.549 -16.641
  919    H    ARG 124           H        ARG 124 -20.420  11.398 -15.826
  920    HA   ARG 124           HA       ARG 124 -17.956  10.511 -14.733
  921   1HB   ARG 124          HB2       ARG 124 -18.888   8.313 -14.453
  922   2HB   ARG 124          HB3       ARG 124 -20.116   9.507 -14.016
  923   1HG   ARG 124          HG2       ARG 124 -21.236   9.087 -16.194
  924   2HG   ARG 124          HG3       ARG 124 -19.976   7.922 -16.622
  925   1HD   ARG 124          HD2       ARG 124 -20.620   6.587 -14.581
  926   2HD   ARG 124          HD3       ARG 124 -22.039   7.644 -14.421
  927    HE   ARG 124           HE       ARG 124 -22.107   6.839 -17.057
  928   1HH1  ARG 124          HH21      ARG 124 -22.192   5.033 -13.977
  929   2HH1  ARG 124          HH22      ARG 124 -22.821   3.604 -14.735
  930   1HH2  ARG 124          HH11      ARG 124 -23.226   5.085 -17.896
  931   2HH2  ARG 124          HH12      ARG 124 -23.371   3.603 -17.013
  932    H    ASP 125           H        ASP 125 -19.392   9.926 -17.946
  933    HA   ASP 125           HA       ASP 125 -17.485   8.021 -18.801
  934   1HB   ASP 125          HB2       ASP 125 -19.568   8.400 -20.013
  935   2HB   ASP 125          HB3       ASP 125 -19.075  10.049 -20.418
  936    H    GLU 126           H        GLU 126 -17.488  11.620 -19.069
  937    HA   GLU 126           HA       GLU 126 -14.999  11.678 -20.435
  938   1HB   GLU 126          HB2       GLU 126 -16.694  13.768 -19.085
  939   2HB   GLU 126          HB3       GLU 126 -15.107  14.151 -19.766
  940   1HG   GLU 126          HG2       GLU 126 -17.230  12.795 -21.458
  941   2HG   GLU 126          HG3       GLU 126 -17.174  14.540 -21.239
  942    H    ILE 127           H        ILE 127 -15.833  11.923 -16.906
  943    HA   ILE 127           HA       ILE 127 -13.175  12.668 -16.180
  944    HB   ILE 127           HB       ILE 127 -15.590  12.351 -14.819
  945   1HG1  ILE 127          HG12      ILE 127 -14.270  12.963 -12.747
  946   2HG1  ILE 127          HG13      ILE 127 -12.810  12.890 -13.750
  947   1HG2  ILE 127          HG21      ILE 127 -15.311  10.036 -14.456
  948   2HG2  ILE 127          HG22      ILE 127 -13.750  10.308 -13.625
  949   3HG2  ILE 127          HG23      ILE 127 -15.268  10.926 -12.932
  950   1HD1  ILE 127          HD11      ILE 127 -15.297  14.596 -14.289
  951   2HD1  ILE 127          HD12      ILE 127 -13.783  15.195 -13.575
  952   3HD1  ILE 127          HD13      ILE 127 -13.806  14.602 -15.253
  953    H    GLY 128           H        GLY 128 -14.749   9.481 -16.650
  954   1HA   GLY 128          HA1       GLY 128 -12.512   7.853 -16.025
  955   2HA   GLY 128          HA2       GLY 128 -13.850   7.441 -17.124
  956    H    ASN 129           H        ASN 129 -13.601   9.279 -19.149
  957    HA   ASN 129           HA       ASN 129 -11.552   8.279 -20.784
  958   1HB   ASN 129          HB2       ASN 129 -13.637   9.313 -21.600
  959   2HB   ASN 129          HB3       ASN 129 -13.097  10.872 -20.978
  960   1HD2  ASN 129          HD22      ASN 129 -13.236  11.896 -22.955
  961   2HD2  ASN 129          HD21      ASN 129 -12.205  11.482 -24.314
  962    H    ARG 130           H        ARG 130 -11.588  11.331 -18.884
  963    HA   ARG 130           HA       ARG 130  -9.038  12.255 -19.784
  964   1HB   ARG 130          HB2       ARG 130 -10.391  12.712 -17.089
  965   2HB   ARG 130          HB3       ARG 130  -8.959  13.547 -17.659
  966   1HG   ARG 130          HG2       ARG 130 -11.762  13.853 -18.780
  967   2HG   ARG 130          HG3       ARG 130 -10.853  14.975 -17.807
  968   1HD   ARG 130          HD2       ARG 130 -10.748  15.837 -19.967
  969   2HD   ARG 130          HD3       ARG 130  -9.161  15.119 -19.675
  970    HE   ARG 130           HE       ARG 130 -11.358  13.684 -21.134
  971   1HH1  ARG 130          HH11      ARG 130  -8.070  15.025 -21.232
  972   2HH1  ARG 130          HH12      ARG 130  -7.578  14.099 -22.618
  973   1HH2  ARG 130          HH21      ARG 130 -10.729  12.522 -23.034
  974   2HH2  ARG 130          HH22      ARG 130  -9.120  12.721 -23.680
  975    H    LEU 131           H        LEU 131  -9.921  10.174 -16.972
  976    HA   LEU 131           HA       LEU 131  -7.201   9.928 -16.109
  977   1HB   LEU 131          HB2       LEU 131  -9.770   8.510 -15.473
  978   2HB   LEU 131          HB3       LEU 131  -8.268   7.676 -15.106
  979    HG   LEU 131           HG       LEU 131  -9.021   8.849 -13.194
  980   1HD1  LEU 131          HD11      LEU 131  -6.547   8.613 -13.708
  981   2HD1  LEU 131          HD12      LEU 131  -6.545  10.332 -14.155
  982   3HD1  LEU 131          HD13      LEU 131  -6.961   9.846 -12.519
  983   1HD2  LEU 131          HD21      LEU 131 -10.276  10.690 -14.129
  984   2HD2  LEU 131          HD22      LEU 131  -9.074  11.293 -12.991
  985   3HD2  LEU 131          HD23      LEU 131  -8.789  11.447 -14.737
  986    H    LYS 132           H        LYS 132  -9.182   7.890 -18.279
  987    HA   LYS 132           HA       LYS 132  -7.234   5.930 -18.842
  988   1HB   LYS 132          HB2       LYS 132  -9.319   5.407 -19.593
  989   2HB   LYS 132          HB3       LYS 132  -9.693   7.003 -20.172
  990   1HG   LYS 132          HG2       LYS 132  -7.681   5.261 -21.643
  991   2HG   LYS 132          HG3       LYS 132  -9.423   5.051 -21.833
  992   1HD   LYS 132          HD2       LYS 132  -9.283   7.744 -22.215
  993   2HD   LYS 132          HD3       LYS 132  -7.685   7.279 -22.818
  994   1HE   LYS 132          HE2       LYS 132  -8.680   5.797 -24.461
  995   2HE   LYS 132          HE3       LYS 132 -10.274   5.954 -23.709
  996   1HZ   LYS 132          HZ1       LYS 132  -8.826   8.137 -25.087
  997   2HZ   LYS 132          HZ2       LYS 132 -10.147   7.355 -25.636
  998   3HZ   LYS 132          HZ3       LYS 132 -10.265   8.311 -24.310
  999    H    GLU 133           H        GLU 133  -7.749   9.084 -20.487
 1000    HA   GLU 133           HA       GLU 133  -5.523   8.791 -22.228
 1001   1HB   GLU 133          HB2       GLU 133  -7.490  10.765 -21.724
 1002   2HB   GLU 133          HB3       GLU 133  -5.974  11.545 -21.256
 1003   1HG   GLU 133          HG2       GLU 133  -5.007  10.963 -23.461
 1004   2HG   GLU 133          HG3       GLU 133  -6.506  10.113 -23.891
 1005    H    PHE 134           H        PHE 134  -5.616  10.323 -18.920
 1006    HA   PHE 134           HA       PHE 134  -2.889  10.999 -19.038
 1007   1HB   PHE 134          HB2       PHE 134  -4.537  11.699 -17.250
 1008   2HB   PHE 134          HB3       PHE 134  -4.308  10.113 -16.497
 1009    HD1  PHE 134           HD1      PHE 134  -1.840   9.416 -15.920
 1010    HD2  PHE 134           HD2      PHE 134  -2.998  13.471 -16.854
 1011    HE1  PHE 134           HE1      PHE 134   0.420  10.187 -15.340
 1012    HE2  PHE 134           HE2      PHE 134  -0.768  14.263 -16.121
 1013    HZ   PHE 134           HZ       PHE 134   0.970  12.623 -15.442
 1014    H    ALA 135           H        ALA 135  -4.438   7.947 -18.087
 1015    HA   ALA 135           HA       ALA 135  -2.064   6.730 -17.101
 1016   1HB   ALA 135          HB1       ALA 135  -3.385   4.646 -17.139
 1017   2HB   ALA 135          HB2       ALA 135  -4.379   5.987 -16.530
 1018   3HB   ALA 135          HB3       ALA 135  -4.596   5.404 -18.192
 1019    H    GLU 136           H        GLU 136  -3.621   6.769 -20.296
 1020    HA   GLU 136           HA       GLU 136  -1.877   4.766 -21.434
 1021   1HB   GLU 136          HB2       GLU 136  -4.042   6.571 -22.564
 1022   2HB   GLU 136          HB3       GLU 136  -3.101   5.489 -23.582
 1023   1HG   GLU 136          HG2       GLU 136  -4.744   4.525 -21.200
 1024   2HG   GLU 136          HG3       GLU 136  -5.332   4.582 -22.857
 1025    H    THR 137           H        THR 137  -2.134   8.308 -21.597
 1026    HA   THR 137           HA       THR 137  -0.079   8.393 -23.606
 1027    HB   THR 137           HB       THR 137  -0.589  10.739 -23.759
 1028    HG1  THR 137           HG1      THR 137  -2.486  10.325 -21.714
 1029   1HG2  THR 137          HG21      THR 137  -2.905  10.556 -24.537
 1030   2HG2  THR 137          HG22      THR 137  -1.986   9.109 -24.987
 1031   3HG2  THR 137          HG23      THR 137  -3.123   9.036 -23.634
 1032    H    GLY 138           H        GLY 138  -0.322   8.811 -20.133
 1033   1HA   GLY 138          HA1       GLY 138   1.171   9.443 -18.528
 1034   2HA   GLY 138          HA2       GLY 138   2.499   9.229 -19.691
 1035    H    LYS 139           H        LYS 139  -0.412  11.293 -19.846
 1036    HA   LYS 139           HA       LYS 139   0.455  13.305 -21.315
 1037   1HB   LYS 139          HB2       LYS 139  -1.862  12.962 -20.359
 1038   2HB   LYS 139          HB3       LYS 139  -1.308  13.772 -18.897
 1039   1HG   LYS 139          HG2       LYS 139  -2.443  15.413 -20.188
 1040   2HG   LYS 139          HG3       LYS 139  -0.730  15.788 -20.257
 1041   1HD   LYS 139          HD2       LYS 139  -1.704  16.132 -22.454
 1042   2HD   LYS 139          HD3       LYS 139  -0.584  14.789 -22.531
 1043   1HE   LYS 139          HE2       LYS 139  -2.498  14.180 -23.819
 1044   2HE   LYS 139          HE3       LYS 139  -2.532  13.190 -22.362
 1045   1HZ   LYS 139          HZ1       LYS 139  -4.716  14.128 -22.896
 1046   2HZ   LYS 139          HZ2       LYS 139  -4.203  14.724 -21.461
 1047   3HZ   LYS 139          HZ3       LYS 139  -4.135  15.649 -22.814
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1  -0.373   1.888   2.354
    2   2H    MET   1           H2       MET   1   0.705   1.751   3.593
    3   3H    MET   1           H3       MET   1   0.404   3.221   2.906
    4    HA   MET   1           HA       MET   1   2.509   2.383   2.197
    5   1HB   MET   1          HB2       MET   1   1.900  -0.034   2.308
    6   2HB   MET   1          HB3       MET   1   0.885   0.164   0.871
    7   1HG   MET   1          HG2       MET   1   2.869   0.828  -0.443
    8   2HG   MET   1          HG3       MET   1   3.878   0.726   1.005
    9   1HE   MET   1          HE1       MET   1   5.186  -2.233  -1.191
   10   2HE   MET   1          HE2       MET   1   4.603  -0.652  -1.755
   11   3HE   MET   1          HE3       MET   1   5.615  -0.759  -0.296
   12    H    GLU   2           H        GLU   2   3.182   3.654   0.514
   13    HA   GLU   2           HA       GLU   2   1.296   4.368  -1.653
   14   1HB   GLU   2          HB2       GLU   2   2.878   6.428  -0.049
   15   2HB   GLU   2          HB3       GLU   2   1.772   6.716  -1.381
   16   1HG   GLU   2          HG2       GLU   2   0.474   7.346   0.388
   17   2HG   GLU   2          HG3       GLU   2  -0.062   5.688   0.154
   18    H    ASN   3           H        ASN   3   2.632   5.725  -3.316
   19    HA   ASN   3           HA       ASN   3   5.520   5.347  -3.188
   20   1HB   ASN   3          HB2       ASN   3   5.205   3.315  -4.272
   21   2HB   ASN   3          HB3       ASN   3   3.867   3.899  -5.237
   22   1HD2  ASN   3          HD22      ASN   3   4.292   4.976  -7.211
   23   2HD2  ASN   3          HD21      ASN   3   5.920   5.170  -7.853
   24    H    LYS   4           H        LYS   4   2.790   6.431  -5.252
   25    HA   LYS   4           HA       LYS   4   3.919   9.134  -5.085
   26   1HB   LYS   4          HB2       LYS   4   3.968   9.633  -7.375
   27   2HB   LYS   4          HB3       LYS   4   4.834   8.127  -7.178
   28   1HG   LYS   4          HG2       LYS   4   2.488   7.047  -7.855
   29   2HG   LYS   4          HG3       LYS   4   2.175   8.661  -8.500
   30   1HD   LYS   4          HD2       LYS   4   4.328   8.498  -9.810
   31   2HD   LYS   4          HD3       LYS   4   4.535   6.841  -9.195
   32   1HE   LYS   4          HE2       LYS   4   2.277   6.275 -10.184
   33   2HE   LYS   4          HE3       LYS   4   2.251   7.892 -10.902
   34   1HZ   LYS   4          HZ1       LYS   4   4.406   7.191 -12.021
   35   2HZ   LYS   4          HZ2       LYS   4   4.053   5.641 -11.552
   36   3HZ   LYS   4          HZ3       LYS   4   3.050   6.447 -12.541
   37    H    ILE   5           H        ILE   5   2.117  10.731  -6.097
   38    HA   ILE   5           HA       ILE   5  -0.492   9.750  -5.016
   39    HB   ILE   5           HB       ILE   5   1.192  12.143  -4.161
   40   1HG1  ILE   5          HG12      ILE   5  -0.100   9.940  -2.507
   41   2HG1  ILE   5          HG13      ILE   5   1.580   9.942  -3.026
   42   1HG2  ILE   5          HG21      ILE   5  -1.080  13.016  -4.478
   43   2HG2  ILE   5          HG22      ILE   5  -1.762  11.637  -3.625
   44   3HG2  ILE   5          HG23      ILE   5  -0.786  12.862  -2.758
   45   1HD1  ILE   5          HD11      ILE   5   0.319  11.916  -1.098
   46   2HD1  ILE   5          HD12      ILE   5   1.542  10.684  -0.771
   47   3HD1  ILE   5          HD13      ILE   5   1.954  12.081  -1.785
   48    H    ILE   6           H        ILE   6  -2.305  10.592  -5.930
   49    HA   ILE   6           HA       ILE   6  -2.036  12.840  -7.845
   50    HB   ILE   6           HB       ILE   6  -2.227  10.942  -9.260
   51   1HG1  ILE   6          HG12      ILE   6  -5.043  12.098  -9.002
   52   2HG1  ILE   6          HG13      ILE   6  -3.677  12.998  -9.654
   53   1HG2  ILE   6          HG21      ILE   6  -3.002   9.228  -7.670
   54   2HG2  ILE   6          HG22      ILE   6  -4.611   9.981  -7.663
   55   3HG2  ILE   6          HG23      ILE   6  -3.974   9.236  -9.138
   56   1HD1  ILE   6          HD11      ILE   6  -4.891  10.478 -10.845
   57   2HD1  ILE   6          HD12      ILE   6  -4.957  12.129 -11.486
   58   3HD1  ILE   6          HD13      ILE   6  -3.412  11.273 -11.441
   59    H    TYR   7           H        TYR   7  -3.511  14.419  -7.462
   60    HA   TYR   7           HA       TYR   7  -5.453  13.969  -5.241
   61   1HB   TYR   7          HB2       TYR   7  -3.260  14.828  -4.537
   62   2HB   TYR   7          HB3       TYR   7  -3.452  16.227  -5.601
   63    HD1  TYR   7           HD1      TYR   7  -5.346  17.905  -5.076
   64    HD2  TYR   7           HD2      TYR   7  -4.222  14.701  -2.421
   65    HE1  TYR   7           HE1      TYR   7  -6.404  19.101  -3.174
   66    HE2  TYR   7           HE2      TYR   7  -5.211  15.918  -0.513
   67    HH   TYR   7           HH       TYR   7  -6.392  17.726   0.154
   68    H    PHE   8           H        PHE   8  -7.414  14.168  -6.279
   69    HA   PHE   8           HA       PHE   8  -7.876  16.101  -8.411
   70   1HB   PHE   8          HB2       PHE   8  -9.741  14.282  -6.827
   71   2HB   PHE   8          HB3       PHE   8 -10.241  15.308  -8.155
   72    HD1  PHE   8           HD1      PHE   8  -9.050  12.051  -7.291
   73    HD2  PHE   8           HD2      PHE   8  -8.902  15.030 -10.407
   74    HE1  PHE   8           HE1      PHE   8  -8.253  10.343  -8.904
   75    HE2  PHE   8           HE2      PHE   8  -8.164  13.298 -12.026
   76    HZ   PHE   8           HZ       PHE   8  -7.775  10.974 -11.245
   77    H    LEU   9           H        LEU   9  -9.226  17.930  -8.275
   78    HA   LEU   9           HA       LEU   9  -9.988  18.973  -5.609
   79   1HB   LEU   9          HB2       LEU   9  -7.577  19.450  -6.046
   80   2HB   LEU   9          HB3       LEU   9  -7.989  20.200  -7.564
   81    HG   LEU   9           HG       LEU   9  -7.352  21.773  -5.801
   82   1HD1  LEU   9          HD11      LEU   9 -10.276  22.308  -6.370
   83   2HD1  LEU   9          HD12      LEU   9  -8.941  23.441  -6.160
   84   3HD1  LEU   9          HD13      LEU   9  -8.997  22.446  -7.610
   85   1HD2  LEU   9          HD21      LEU   9  -8.217  20.578  -3.845
   86   2HD2  LEU   9          HD22      LEU   9  -8.832  22.247  -3.908
   87   3HD2  LEU   9          HD23      LEU   9  -9.881  20.894  -4.357
   88    H    CYS  10           H        CYS  10 -11.984  20.175  -5.885
   89    HA   CYS  10           HA       CYS  10 -12.503  21.404  -8.501
   90   1HB   CYS  10          HB2       CYS  10 -13.331  18.901  -8.412
   91   2HB   CYS  10          HB3       CYS  10 -14.639  19.551  -7.412
   92    HG   CYS  10           HG       CYS  10 -15.393  19.318  -9.930
   93    H    THR  11           H        THR  11 -14.815  22.638  -8.342
   94    HA   THR  11           HA       THR  11 -14.634  24.309  -6.039
   95    HB   THR  11           HB       THR  11 -16.918  25.137  -7.011
   96    HG1  THR  11           HG1      THR  11 -17.120  24.683  -9.177
   97   1HG2  THR  11          HG21      THR  11 -14.814  26.372  -7.109
   98   2HG2  THR  11          HG22      THR  11 -14.237  25.380  -8.447
   99   3HG2  THR  11          HG23      THR  11 -15.630  26.459  -8.678
  100    H    GLY  12           H        GLY  12 -16.069  21.267  -6.378
  101   1HA   GLY  12          HA1       GLY  12 -16.865  21.323  -3.619
  102   2HA   GLY  12          HA2       GLY  12 -18.220  20.994  -4.734
  103    H    ASN  13           H        ASN  13 -15.844  19.525  -2.973
  104    HA   ASN  13           HA       ASN  13 -14.615  17.577  -4.634
  105   1HB   ASN  13          HB2       ASN  13 -14.093  18.072  -2.227
  106   2HB   ASN  13          HB3       ASN  13 -15.614  17.351  -1.748
  107   1HD2  ASN  13          HD22      ASN  13 -13.159  16.540  -0.737
  108   2HD2  ASN  13          HD21      ASN  13 -12.733  14.949  -1.340
  109    H    SER  14           H        SER  14 -17.658  17.675  -2.972
  110    HA   SER  14           HA       SER  14 -18.673  15.430  -2.493
  111   1HB   SER  14          HB2       SER  14 -20.373  17.428  -3.979
  112   2HB   SER  14          HB3       SER  14 -20.765  16.531  -2.502
  113    HG   SER  14           HG       SER  14 -20.039  18.919  -2.556
  114    H    CYS  15           H        CYS  15 -18.405  16.293  -5.904
  115    HA   CYS  15           HA       CYS  15 -19.461  13.630  -6.549
  116   1HB   CYS  15          HB2       CYS  15 -20.748  14.658  -8.510
  117   2HB   CYS  15          HB3       CYS  15 -21.430  14.920  -6.903
  118    HG   CYS  15           HG       CYS  15 -21.822  17.118  -8.151
  119    H    ARG  16           H        ARG  16 -18.072  16.558  -8.158
  120    HA   ARG  16           HA       ARG  16 -17.056  15.042 -10.317
  121   1HB   ARG  16          HB2       ARG  16 -16.343  17.786  -9.214
  122   2HB   ARG  16          HB3       ARG  16 -15.527  17.137 -10.642
  123   1HG   ARG  16          HG2       ARG  16 -17.535  16.961 -11.898
  124   2HG   ARG  16          HG3       ARG  16 -18.566  17.200 -10.486
  125   1HD   ARG  16          HD2       ARG  16 -16.691  19.332 -11.578
  126   2HD   ARG  16          HD3       ARG  16 -18.383  19.175 -12.041
  127    HE   ARG  16           HE       ARG  16 -18.525  19.241  -9.297
  128   1HH1  ARG  16          HH21      ARG  16 -17.205  21.476 -11.748
  129   2HH1  ARG  16          HH22      ARG  16 -17.248  22.831 -10.655
  130   1HH2  ARG  16          HH11      ARG  16 -18.984  21.153  -8.134
  131   2HH2  ARG  16          HH12      ARG  16 -18.022  22.581  -8.489
  132    H    SER  17           H        SER  17 -15.210  16.137  -7.379
  133    HA   SER  17           HA       SER  17 -12.853  14.738  -8.215
  134   1HB   SER  17          HB2       SER  17 -13.621  15.541  -5.407
  135   2HB   SER  17          HB3       SER  17 -11.992  15.303  -6.065
  136    HG   SER  17           HG       SER  17 -12.541  17.491  -5.888
  137    H    GLN  18           H        GLN  18 -15.631  13.805  -6.125
  138    HA   GLN  18           HA       GLN  18 -14.541  11.340  -5.230
  139   1HB   GLN  18          HB2       GLN  18 -17.430  12.215  -5.745
  140   2HB   GLN  18          HB3       GLN  18 -17.002  10.704  -4.959
  141   1HG   GLN  18          HG2       GLN  18 -16.247  13.461  -3.924
  142   2HG   GLN  18          HG3       GLN  18 -17.597  12.505  -3.350
  143   1HE2  GLN  18          HE22      GLN  18 -14.608  13.385  -2.431
  144   2HE2  GLN  18          HE21      GLN  18 -14.205  11.983  -1.436
  145    H    MET  19           H        MET  19 -16.469  12.030  -8.212
  146    HA   MET  19           HA       MET  19 -16.503   9.285  -9.087
  147   1HB   MET  19          HB2       MET  19 -16.822  11.899 -10.627
  148   2HB   MET  19          HB3       MET  19 -17.023  10.292 -11.334
  149   1HG   MET  19          HG2       MET  19 -18.790   9.810  -9.618
  150   2HG   MET  19          HG3       MET  19 -18.710  11.488  -9.117
  151   1HE   MET  19          HE1       MET  19 -18.345  13.046 -11.948
  152   2HE   MET  19          HE2       MET  19 -20.050  13.388 -12.290
  153   3HE   MET  19          HE3       MET  19 -19.430  13.545 -10.628
  154    H    ALA  20           H        ALA  20 -14.350  12.096  -9.900
  155    HA   ALA  20           HA       ALA  20 -12.705  10.768 -11.740
  156   1HB   ALA  20          HB1       ALA  20 -12.661  13.225 -11.225
  157   2HB   ALA  20          HB2       ALA  20 -11.838  12.854  -9.695
  158   3HB   ALA  20          HB3       ALA  20 -11.058  12.473 -11.244
  159    H    GLU  21           H        GLU  21 -12.465  10.869  -8.163
  160    HA   GLU  21           HA       GLU  21 -10.088   9.365  -7.943
  161   1HB   GLU  21          HB2       GLU  21 -10.885  10.602  -6.076
  162   2HB   GLU  21          HB3       GLU  21 -12.439   9.753  -6.047
  163   1HG   GLU  21          HG2       GLU  21 -11.393   7.691  -5.401
  164   2HG   GLU  21          HG3       GLU  21  -9.777   8.362  -5.585
  165    H    GLY  22           H        GLY  22 -13.539   8.244  -7.928
  166   1HA   GLY  22          HA1       GLY  22 -13.148   5.504  -7.709
  167   2HA   GLY  22          HA2       GLY  22 -14.454   6.288  -8.606
  168    H    TRP  23           H        TRP  23 -13.203   7.417 -10.850
  169    HA   TRP  23           HA       TRP  23 -12.655   5.014 -12.376
  170   1HB   TRP  23          HB2       TRP  23 -12.237   7.924 -13.124
  171   2HB   TRP  23          HB3       TRP  23 -12.000   6.567 -14.210
  172    HD1  TRP  23           HD1      TRP  23 -14.689   8.640 -12.602
  173    HE1  TRP  23           HE1      TRP  23 -16.891   8.333 -13.804
  174    HE3  TRP  23           HE3      TRP  23 -13.491   4.553 -15.466
  175    HZ2  TRP  23           HZ2      TRP  23 -18.000   6.620 -15.834
  176    HZ3  TRP  23           HZ3      TRP  23 -15.149   3.658 -17.076
  177    HH2  TRP  23           HH2      TRP  23 -17.417   4.727 -17.271
  178    H    ALA  24           H        ALA  24 -10.487   7.520 -10.908
  179    HA   ALA  24           HA       ALA  24  -8.221   6.610 -12.316
  180   1HB   ALA  24          HB1       ALA  24  -6.885   7.889 -10.715
  181   2HB   ALA  24          HB2       ALA  24  -8.379   8.794 -11.032
  182   3HB   ALA  24          HB3       ALA  24  -8.216   7.867  -9.535
  183    H    LYS  25           H        LYS  25  -9.588   5.434  -9.236
  184    HA   LYS  25           HA       LYS  25  -7.418   3.719  -8.575
  185   1HB   LYS  25          HB2       LYS  25 -10.414   3.495  -8.090
  186   2HB   LYS  25          HB3       LYS  25  -9.251   2.365  -7.385
  187   1HG   LYS  25          HG2       LYS  25  -8.200   4.054  -6.067
  188   2HG   LYS  25          HG3       LYS  25  -8.982   5.367  -6.957
  189   1HD   LYS  25          HD2       LYS  25 -11.195   4.659  -6.150
  190   2HD   LYS  25          HD3       LYS  25 -10.451   3.325  -5.228
  191   1HE   LYS  25          HE2       LYS  25  -9.186   4.926  -3.862
  192   2HE   LYS  25          HE3       LYS  25  -9.731   6.262  -4.884
  193   1HZ   LYS  25          HZ1       LYS  25 -11.373   4.701  -2.997
  194   2HZ   LYS  25          HZ2       LYS  25 -11.096   6.341  -3.045
  195   3HZ   LYS  25          HZ3       LYS  25 -12.044   5.662  -4.168
  196    H    GLN  26           H        GLN  26  -9.834   3.372 -11.107
  197    HA   GLN  26           HA       GLN  26  -9.350   0.491 -11.481
  198   1HB   GLN  26          HB2       GLN  26 -11.135   2.601 -12.698
  199   2HB   GLN  26          HB3       GLN  26 -10.724   1.217 -13.682
  200   1HG   GLN  26          HG2       GLN  26 -12.896   1.147 -12.320
  201   2HG   GLN  26          HG3       GLN  26 -11.873  -0.284 -12.362
  202   1HE2  GLN  26          HE22      GLN  26 -12.128   2.740 -10.245
  203   2HE2  GLN  26          HE21      GLN  26 -12.055   1.814  -8.780
  204    H    TYR  27           H        TYR  27  -8.639   3.559 -13.184
  205    HA   TYR  27           HA       TYR  27  -7.132   2.208 -15.253
  206   1HB   TYR  27          HB2       TYR  27  -7.511   5.123 -14.505
  207   2HB   TYR  27          HB3       TYR  27  -6.525   4.608 -15.871
  208    HD1  TYR  27           HD1      TYR  27  -9.774   5.658 -15.006
  209    HD2  TYR  27           HD2      TYR  27  -7.705   2.810 -17.498
  210    HE1  TYR  27           HE1      TYR  27 -11.735   5.543 -16.503
  211    HE2  TYR  27           HE2      TYR  27  -9.697   2.620 -18.946
  212    HH   TYR  27           HH       TYR  27 -11.877   3.364 -19.350
  213    H    LEU  28           H        LEU  28  -6.212   3.707 -12.171
  214    HA   LEU  28           HA       LEU  28  -3.329   3.416 -12.803
  215   1HB   LEU  28          HB2       LEU  28  -4.664   4.711 -10.401
  216   2HB   LEU  28          HB3       LEU  28  -2.969   4.785 -10.853
  217    HG   LEU  28           HG       LEU  28  -5.276   6.049 -12.391
  218   1HD1  LEU  28          HD11      LEU  28  -4.303   8.156 -11.716
  219   2HD1  LEU  28          HD12      LEU  28  -4.623   7.169 -10.277
  220   3HD1  LEU  28          HD13      LEU  28  -2.966   7.327 -10.892
  221   1HD2  LEU  28          HD21      LEU  28  -2.306   6.039 -13.047
  222   2HD2  LEU  28          HD22      LEU  28  -3.613   5.344 -14.026
  223   3HD2  LEU  28          HD23      LEU  28  -3.518   7.088 -13.805
  224    H    GLY  29           H        GLY  29  -3.039   3.072  -9.668
  225   1HA   GLY  29          HA1       GLY  29  -3.876   0.466  -9.013
  226   2HA   GLY  29          HA2       GLY  29  -2.369   0.326  -9.929
  227    H    ASP  30           H        ASP  30  -1.771  -0.623  -7.764
  228    HA   ASP  30           HA       ASP  30  -1.671   0.805  -5.355
  229   1HB   ASP  30          HB2       ASP  30  -1.543  -1.637  -5.588
  230   2HB   ASP  30          HB3       ASP  30   0.036  -1.493  -6.366
  231    H    GLU  31           H        GLU  31   0.481   1.039  -8.078
  232    HA   GLU  31           HA       GLU  31   2.785   2.170  -6.832
  233   1HB   GLU  31          HB2       GLU  31   2.532   1.264  -9.187
  234   2HB   GLU  31          HB3       GLU  31   1.626   2.721  -9.605
  235   1HG   GLU  31          HG2       GLU  31   3.613   4.103  -9.068
  236   2HG   GLU  31          HG3       GLU  31   4.504   2.648  -8.595
  237    H    TRP  32           H        TRP  32  -0.414   3.369  -6.934
  238    HA   TRP  32           HA       TRP  32   0.501   6.168  -6.494
  239   1HB   TRP  32          HB2       TRP  32  -2.107   5.277  -7.764
  240   2HB   TRP  32          HB3       TRP  32  -1.525   6.914  -7.585
  241    HD1  TRP  32           HD1      TRP  32  -0.653   3.711  -9.559
  242    HE1  TRP  32           HE1      TRP  32  -0.007   4.389 -11.947
  243    HE3  TRP  32           HE3      TRP  32  -0.555   8.805  -8.972
  244    HZ2  TRP  32           HZ2      TRP  32   0.372   6.786 -13.434
  245    HZ3  TRP  32           HZ3      TRP  32  -0.030  10.265 -10.905
  246    HH2  TRP  32           HH2      TRP  32   0.373   9.252 -13.156
  247    H    LYS  33           H        LYS  33  -0.922   7.404  -5.148
  248    HA   LYS  33           HA       LYS  33  -3.019   5.942  -3.623
  249   1HB   LYS  33          HB2       LYS  33  -0.764   6.892  -2.418
  250   2HB   LYS  33          HB3       LYS  33  -1.728   8.369  -2.432
  251   1HG   LYS  33          HG2       LYS  33  -2.518   5.714  -1.160
  252   2HG   LYS  33          HG3       LYS  33  -1.891   7.130  -0.336
  253   1HD   LYS  33          HD2       LYS  33  -3.979   7.661   0.106
  254   2HD   LYS  33          HD3       LYS  33  -4.082   8.252  -1.550
  255   1HE   LYS  33          HE2       LYS  33  -4.989   6.000  -2.243
  256   2HE   LYS  33          HE3       LYS  33  -4.810   5.438  -0.578
  257   1HZ   LYS  33          HZ1       LYS  33  -6.602   7.637  -1.457
  258   2HZ   LYS  33          HZ2       LYS  33  -7.072   6.133  -1.002
  259   3HZ   LYS  33          HZ3       LYS  33  -6.417   7.137   0.099
  260    H    VAL  34           H        VAL  34  -4.971   6.979  -3.834
  261    HA   VAL  34           HA       VAL  34  -5.039   9.376  -5.596
  262    HB   VAL  34           HB       VAL  34  -7.188   7.253  -5.228
  263   1HG1  VAL  34          HG11      VAL  34  -7.822   9.475  -6.259
  264   2HG1  VAL  34          HG12      VAL  34  -6.690   9.122  -7.579
  265   3HG1  VAL  34          HG13      VAL  34  -8.087   8.066  -7.294
  266   1HG2  VAL  34          HG21      VAL  34  -5.292   5.999  -6.099
  267   2HG2  VAL  34          HG22      VAL  34  -6.444   6.253  -7.410
  268   3HG2  VAL  34          HG23      VAL  34  -4.976   7.246  -7.329
  269    H    TYR  35           H        TYR  35  -6.175  11.168  -4.856
  270    HA   TYR  35           HA       TYR  35  -7.985  10.838  -2.522
  271   1HB   TYR  35          HB2       TYR  35  -6.052  13.155  -2.837
  272   2HB   TYR  35          HB3       TYR  35  -7.167  12.886  -1.516
  273    HD1  TYR  35           HD1      TYR  35  -3.888  12.240  -2.849
  274    HD2  TYR  35           HD2      TYR  35  -6.721  11.019   0.161
  275    HE1  TYR  35           HE1      TYR  35  -2.049  11.376  -1.488
  276    HE2  TYR  35           HE2      TYR  35  -4.875  10.060   1.515
  277    HH   TYR  35           HH       TYR  35  -1.431  10.256   0.497
  278    H    SER  36           H        SER  36  -9.466  12.645  -2.346
  279    HA   SER  36           HA       SER  36  -9.738  14.428  -4.673
  280   1HB   SER  36          HB2       SER  36 -12.263  13.908  -4.442
  281   2HB   SER  36          HB3       SER  36 -11.249  12.725  -5.283
  282    HG   SER  36           HG       SER  36 -11.257  11.438  -3.461
  283    H    ALA  37           H        ALA  37  -9.960  16.473  -3.966
  284    HA   ALA  37           HA       ALA  37 -11.310  16.986  -1.380
  285   1HB   ALA  37          HB1       ALA  37  -8.839  17.063  -1.129
  286   2HB   ALA  37          HB2       ALA  37  -8.828  18.430  -2.280
  287   3HB   ALA  37          HB3       ALA  37  -9.728  18.526  -0.735
  288    H    GLY  38           H        GLY  38 -11.450  19.703  -1.489
  289   1HA   GLY  38          HA1       GLY  38 -12.001  20.724  -4.117
  290   2HA   GLY  38          HA2       GLY  38 -13.484  20.331  -3.246
  291    H    ILE  39           H        ILE  39 -13.123  22.875  -3.951
  292    HA   ILE  39           HA       ILE  39 -12.014  24.671  -2.021
  293    HB   ILE  39           HB       ILE  39 -14.336  24.749  -3.966
  294   1HG1  ILE  39          HG12      ILE  39 -13.078  26.596  -4.999
  295   2HG1  ILE  39          HG13      ILE  39 -11.847  26.484  -3.745
  296   1HG2  ILE  39          HG21      ILE  39 -14.716  27.150  -3.466
  297   2HG2  ILE  39          HG22      ILE  39 -15.225  26.081  -2.167
  298   3HG2  ILE  39          HG23      ILE  39 -13.695  26.987  -2.021
  299   1HD1  ILE  39          HD11      ILE  39 -11.128  24.293  -4.629
  300   2HD1  ILE  39          HD12      ILE  39 -12.448  24.336  -5.826
  301   3HD1  ILE  39          HD13      ILE  39 -11.147  25.511  -5.912
  302    H    GLU  40           H        GLU  40 -15.057  22.811  -2.182
  303    HA   GLU  40           HA       GLU  40 -15.087  22.751   0.737
  304   1HB   GLU  40          HB2       GLU  40 -17.427  23.258   0.965
  305   2HB   GLU  40          HB3       GLU  40 -16.589  24.636   0.273
  306   1HG   GLU  40          HG2       GLU  40 -17.537  24.302  -1.885
  307   2HG   GLU  40          HG3       GLU  40 -18.023  22.640  -1.535
  308    H    ALA  41           H        ALA  41 -17.034  21.182   1.334
  309    HA   ALA  41           HA       ALA  41 -17.602  19.103  -0.658
  310   1HB   ALA  41          HB1       ALA  41 -16.209  18.604   2.028
  311   2HB   ALA  41          HB2       ALA  41 -16.956  17.354   1.028
  312   3HB   ALA  41          HB3       ALA  41 -15.546  18.260   0.417
  313    H    HIS  42           H        HIS  42 -19.786  18.854  -0.475
  314    HA   HIS  42           HA       HIS  42 -21.206  19.812   1.915
  315   1HB   HIS  42          HB2       HIS  42 -22.775  18.258  -0.031
  316   2HB   HIS  42          HB3       HIS  42 -23.078  19.836   0.660
  317    HD1  HIS  42           HD1      HIS  42 -20.914  21.685  -0.739
  318    HD2  HIS  42           HD2      HIS  42 -22.864  18.395  -2.546
  319    HE1  HIS  42           HE1      HIS  42 -20.644  21.967  -3.238
  320    H    GLY  43           H        GLY  43 -20.249  16.770   0.355
  321   1HA   GLY  43          HA1       GLY  43 -20.021  15.054   2.477
  322   2HA   GLY  43          HA2       GLY  43 -21.739  14.972   2.017
  323    H    LEU  44           H        LEU  44 -20.810  12.645   1.437
  324    HA   LEU  44           HA       LEU  44 -19.611  12.546  -1.279
  325   1HB   LEU  44          HB2       LEU  44 -18.939  10.793   0.235
  326   2HB   LEU  44          HB3       LEU  44 -20.621  10.416   0.647
  327    HG   LEU  44           HG       LEU  44 -21.075   9.515  -1.488
  328   1HD1  LEU  44          HD11      LEU  44 -19.288   9.282  -3.259
  329   2HD1  LEU  44          HD12      LEU  44 -19.842  10.941  -3.043
  330   3HD1  LEU  44          HD13      LEU  44 -18.300  10.418  -2.329
  331   1HD2  LEU  44          HD21      LEU  44 -19.558   7.594  -1.477
  332   2HD2  LEU  44          HD22      LEU  44 -18.338   8.535  -0.609
  333   3HD2  LEU  44          HD23      LEU  44 -19.858   8.107   0.193
  334    H    ASN  45           H        ASN  45 -21.050  13.295  -2.862
  335    HA   ASN  45           HA       ASN  45 -23.801  13.544  -2.195
  336   1HB   ASN  45          HB2       ASN  45 -22.458  15.106  -3.638
  337   2HB   ASN  45          HB3       ASN  45 -22.511  13.886  -4.919
  338   1HD2  ASN  45          HD22      ASN  45 -24.154  14.305  -6.380
  339   2HD2  ASN  45          HD21      ASN  45 -25.688  15.047  -5.956
  340    HA   PRO  46           HA       PRO  46 -25.100   9.431  -3.328
  341   1HB   PRO  46          HB2       PRO  46 -27.702  10.755  -4.107
  342   2HB   PRO  46          HB3       PRO  46 -27.435   9.294  -3.105
  343   1HG   PRO  46          HG2       PRO  46 -27.998  11.672  -1.932
  344   2HG   PRO  46          HG3       PRO  46 -26.723  10.612  -1.245
  345   1HD   PRO  46          HD2       PRO  46 -26.383  13.027  -3.041
  346   2HD   PRO  46          HD3       PRO  46 -25.487  12.573  -1.554
  347    H    ASN  47           H        ASN  47 -25.777  12.092  -5.668
  348    HA   ASN  47           HA       ASN  47 -26.265  10.411  -7.886
  349   1HB   ASN  47          HB2       ASN  47 -26.370  12.245  -9.104
  350   2HB   ASN  47          HB3       ASN  47 -26.275  13.147  -7.613
  351   1HD2  ASN  47          HD22      ASN  47 -24.957  12.807 -10.745
  352   2HD2  ASN  47          HD21      ASN  47 -23.411  13.564 -10.467
  353    H    ALA  48           H        ALA  48 -23.175  11.404  -6.413
  354    HA   ALA  48           HA       ALA  48 -21.615  10.465  -8.674
  355   1HB   ALA  48          HB1       ALA  48 -19.699  10.841  -7.145
  356   2HB   ALA  48          HB2       ALA  48 -20.811  12.227  -7.215
  357   3HB   ALA  48          HB3       ALA  48 -20.817  11.144  -5.801
  358    H    VAL  49           H        VAL  49 -22.679   9.209  -5.488
  359    HA   VAL  49           HA       VAL  49 -21.204   6.779  -5.611
  360    HB   VAL  49           HB       VAL  49 -23.894   7.170  -4.251
  361   1HG1  VAL  49          HG11      VAL  49 -22.980   5.339  -2.790
  362   2HG1  VAL  49          HG12      VAL  49 -23.225   4.812  -4.458
  363   3HG1  VAL  49          HG13      VAL  49 -21.589   5.190  -3.894
  364   1HG2  VAL  49          HG21      VAL  49 -21.057   7.649  -3.245
  365   2HG2  VAL  49          HG22      VAL  49 -22.318   8.882  -3.432
  366   3HG2  VAL  49          HG23      VAL  49 -22.503   7.623  -2.215
  367    H    LYS  50           H        LYS  50 -24.609   7.508  -6.707
  368    HA   LYS  50           HA       LYS  50 -24.883   4.875  -7.749
  369   1HB   LYS  50          HB2       LYS  50 -26.718   6.637  -7.206
  370   2HB   LYS  50          HB3       LYS  50 -26.449   7.226  -8.856
  371   1HG   LYS  50          HG2       LYS  50 -26.910   4.886  -9.701
  372   2HG   LYS  50          HG3       LYS  50 -27.180   4.367  -8.028
  373   1HD   LYS  50          HD2       LYS  50 -29.001   6.135  -7.883
  374   2HD   LYS  50          HD3       LYS  50 -28.838   6.362  -9.624
  375   1HE   LYS  50          HE2       LYS  50 -29.520   3.707  -8.271
  376   2HE   LYS  50          HE3       LYS  50 -30.716   4.859  -8.861
  377   1HZ   LYS  50          HZ1       LYS  50 -28.817   3.299 -10.520
  378   2HZ   LYS  50          HZ2       LYS  50 -30.433   3.253 -10.515
  379   3HZ   LYS  50          HZ3       LYS  50 -29.695   4.576 -11.103
  380    H    ALA  51           H        ALA  51 -23.854   7.949  -9.348
  381    HA   ALA  51           HA       ALA  51 -23.758   7.003 -11.961
  382   1HB   ALA  51          HB1       ALA  51 -22.066   8.790 -12.358
  383   2HB   ALA  51          HB2       ALA  51 -23.437   9.376 -11.401
  384   3HB   ALA  51          HB3       ALA  51 -21.885   8.997 -10.608
  385    H    MET  52           H        MET  52 -21.235   6.617  -9.403
  386    HA   MET  52           HA       MET  52 -19.486   5.195 -11.276
  387   1HB   MET  52          HB2       MET  52 -19.410   5.601  -8.266
  388   2HB   MET  52          HB3       MET  52 -18.134   4.838  -9.217
  389   1HG   MET  52          HG2       MET  52 -19.061   7.710  -9.389
  390   2HG   MET  52          HG3       MET  52 -17.520   7.120  -8.783
  391   1HE   MET  52          HE1       MET  52 -16.986   4.837 -11.164
  392   2HE   MET  52          HE2       MET  52 -15.825   5.765 -12.098
  393   3HE   MET  52          HE3       MET  52 -15.756   5.814 -10.329
  394    H    LYS  53           H        LYS  53 -21.777   4.311  -8.657
  395    HA   LYS  53           HA       LYS  53 -20.981   1.604  -8.503
  396   1HB   LYS  53          HB2       LYS  53 -22.249   2.928  -6.814
  397   2HB   LYS  53          HB3       LYS  53 -23.698   2.800  -7.826
  398   1HG   LYS  53          HG2       LYS  53 -23.707   0.358  -7.498
  399   2HG   LYS  53          HG3       LYS  53 -22.142   0.451  -6.654
  400   1HD   LYS  53          HD2       LYS  53 -23.193   1.913  -4.907
  401   2HD   LYS  53          HD3       LYS  53 -24.737   1.786  -5.750
  402   1HE   LYS  53          HE2       LYS  53 -24.734   0.302  -3.853
  403   2HE   LYS  53          HE3       LYS  53 -24.780  -0.661  -5.333
  404   1HZ   LYS  53          HZ1       LYS  53 -22.490  -1.202  -5.032
  405   2HZ   LYS  53          HZ2       LYS  53 -22.275  -0.108  -3.828
  406   3HZ   LYS  53          HZ3       LYS  53 -23.203  -1.444  -3.587
  407    H    GLU  54           H        GLU  54 -23.272   3.234 -10.665
  408    HA   GLU  54           HA       GLU  54 -24.296   0.878 -11.896
  409   1HB   GLU  54          HB2       GLU  54 -24.037   3.767 -12.794
  410   2HB   GLU  54          HB3       GLU  54 -24.811   2.554 -13.805
  411   1HG   GLU  54          HG2       GLU  54 -25.666   3.266 -10.975
  412   2HG   GLU  54          HG3       GLU  54 -26.371   3.940 -12.439
  413    H    VAL  55           H        VAL  55 -21.111   2.322 -12.139
  414    HA   VAL  55           HA       VAL  55 -20.446   0.853 -14.618
  415    HB   VAL  55           HB       VAL  55 -18.495   2.315 -12.790
  416   1HG1  VAL  55          HG11      VAL  55 -17.434   0.965 -14.555
  417   2HG1  VAL  55          HG12      VAL  55 -18.452   1.741 -15.787
  418   3HG1  VAL  55          HG13      VAL  55 -17.232   2.675 -14.896
  419   1HG2  VAL  55          HG21      VAL  55 -18.725   4.327 -14.197
  420   2HG2  VAL  55          HG22      VAL  55 -20.067   3.570 -15.082
  421   3HG2  VAL  55          HG23      VAL  55 -20.222   3.978 -13.355
  422    H    GLY  56           H        GLY  56 -20.867   0.131 -11.312
  423   1HA   GLY  56          HA1       GLY  56 -20.318  -1.761 -10.122
  424   2HA   GLY  56          HA2       GLY  56 -19.187  -2.276 -11.383
  425    H    ILE  57           H        ILE  57 -19.017   1.057 -10.168
  426    HA   ILE  57           HA       ILE  57 -16.493   0.414  -8.708
  427    HB   ILE  57           HB       ILE  57 -17.264   2.911 -10.237
  428   1HG1  ILE  57          HG12      ILE  57 -15.088   0.853 -10.838
  429   2HG1  ILE  57          HG13      ILE  57 -16.639   0.925 -11.671
  430   1HG2  ILE  57          HG21      ILE  57 -14.966   3.694  -9.659
  431   2HG2  ILE  57          HG22      ILE  57 -15.887   3.386  -8.200
  432   3HG2  ILE  57          HG23      ILE  57 -14.686   2.204  -8.740
  433   1HD1  ILE  57          HD11      ILE  57 -14.507   3.079 -11.751
  434   2HD1  ILE  57          HD12      ILE  57 -14.998   1.979 -13.051
  435   3HD1  ILE  57          HD13      ILE  57 -16.132   3.205 -12.475
  436    H    ASP  58           H        ASP  58 -17.440   0.016  -6.809
  437    HA   ASP  58           HA       ASP  58 -19.696   1.519  -5.778
  438   1HB   ASP  58          HB2       ASP  58 -19.495  -0.870  -5.383
  439   2HB   ASP  58          HB3       ASP  58 -17.942  -0.655  -4.569
  440    H    ILE  59           H        ILE  59 -18.647   3.704  -5.843
  441    HA   ILE  59           HA       ILE  59 -16.443   4.203  -4.052
  442    HB   ILE  59           HB       ILE  59 -16.622   6.492  -4.584
  443   1HG1  ILE  59          HG12      ILE  59 -19.195   6.082  -6.120
  444   2HG1  ILE  59          HG13      ILE  59 -19.163   6.647  -4.455
  445   1HG2  ILE  59          HG21      ILE  59 -15.639   4.968  -6.260
  446   2HG2  ILE  59          HG22      ILE  59 -17.191   4.970  -7.127
  447   3HG2  ILE  59          HG23      ILE  59 -16.260   6.472  -6.945
  448   1HD1  ILE  59          HD11      ILE  59 -19.315   8.595  -5.807
  449   2HD1  ILE  59          HD12      ILE  59 -17.688   8.544  -5.122
  450   3HD1  ILE  59          HD13      ILE  59 -17.944   8.102  -6.821
  451    H    SER  60           H        SER  60 -19.473   3.326  -3.167
  452    HA   SER  60           HA       SER  60 -20.437   5.201  -1.406
  453   1HB   SER  60          HB2       SER  60 -20.397   2.193  -0.905
  454   2HB   SER  60          HB3       SER  60 -21.633   3.360  -0.403
  455    HG   SER  60           HG       SER  60 -21.281   2.021  -2.774
  456    H    ASN  61           H        ASN  61 -17.577   3.184  -1.031
  457    HA   ASN  61           HA       ASN  61 -17.348   3.488   1.831
  458   1HB   ASN  61          HB2       ASN  61 -15.441   2.163   1.690
  459   2HB   ASN  61          HB3       ASN  61 -16.498   1.488   0.460
  460   1HD2  ASN  61          HD22      ASN  61 -13.391   1.686   0.865
  461   2HD2  ASN  61          HD21      ASN  61 -12.829   2.241  -0.689
  462    H    GLN  62           H        GLN  62 -16.633   5.616  -0.787
  463    HA   GLN  62           HA       GLN  62 -14.246   6.803   0.325
  464   1HB   GLN  62          HB2       GLN  62 -16.160   7.836  -1.812
  465   2HB   GLN  62          HB3       GLN  62 -14.588   8.529  -1.384
  466   1HG   GLN  62          HG2       GLN  62 -13.479   6.407  -2.010
  467   2HG   GLN  62          HG3       GLN  62 -15.030   5.761  -2.546
  468   1HE2  GLN  62          HE22      GLN  62 -15.095   9.051  -3.499
  469   2HE2  GLN  62          HE21      GLN  62 -14.542   8.759  -5.145
  470    H    THR  63           H        THR  63 -14.423   9.303   0.696
  471    HA   THR  63           HA       THR  63 -16.924  10.306   1.684
  472    HB   THR  63           HB       THR  63 -15.655  11.203   3.802
  473    HG1  THR  63           HG1      THR  63 -13.625  10.293   3.355
  474   1HG2  THR  63          HG21      THR  63 -16.449   8.269   3.868
  475   2HG2  THR  63          HG22      THR  63 -16.532   9.466   5.176
  476   3HG2  THR  63          HG23      THR  63 -17.620   9.600   3.782
  477    H    SER  64           H        SER  64 -16.728  12.701   2.012
  478    HA   SER  64           HA       SER  64 -14.726  13.810   0.124
  479   1HB   SER  64          HB2       SER  64 -17.352  14.975   1.105
  480   2HB   SER  64          HB3       SER  64 -16.317  15.602  -0.192
  481    HG   SER  64           HG       SER  64 -18.229  14.266  -0.755
  482    H    ASP  65           H        ASP  65 -13.649  15.710   0.653
  483    HA   ASP  65           HA       ASP  65 -13.713  16.869   3.354
  484   1HB   ASP  65          HB2       ASP  65 -11.974  14.966   3.300
  485   2HB   ASP  65          HB3       ASP  65 -11.122  15.917   2.068
  486    H    ILE  66           H        ILE  66 -12.446  18.962   3.333
  487    HA   ILE  66           HA       ILE  66 -12.518  20.190   0.640
  488    HB   ILE  66           HB       ILE  66 -12.659  22.251   1.662
  489   1HG1  ILE  66          HG12      ILE  66 -11.846  20.975   4.299
  490   2HG1  ILE  66          HG13      ILE  66 -10.932  22.156   3.337
  491   1HG2  ILE  66          HG21      ILE  66 -14.660  20.643   1.871
  492   2HG2  ILE  66          HG22      ILE  66 -14.286  20.542   3.591
  493   3HG2  ILE  66          HG23      ILE  66 -14.714  22.104   2.876
  494   1HD1  ILE  66          HD11      ILE  66 -11.922  23.366   5.137
  495   2HD1  ILE  66          HD12      ILE  66 -12.870  23.769   3.676
  496   3HD1  ILE  66          HD13      ILE  66 -13.503  22.609   4.869
  497    H    ILE  67           H        ILE  67 -10.604  21.668   0.194
  498    HA   ILE  67           HA       ILE  67  -8.448  20.009  -0.146
  499    HB   ILE  67           HB       ILE  67  -9.040  21.755  -1.616
  500   1HG1  ILE  67          HG12      ILE  67  -6.656  20.836  -1.457
  501   2HG1  ILE  67          HG13      ILE  67  -6.990  22.215  -2.475
  502   1HG2  ILE  67          HG21      ILE  67  -8.488  24.128  -1.266
  503   2HG2  ILE  67          HG22      ILE  67  -9.774  23.549  -0.207
  504   3HG2  ILE  67          HG23      ILE  67  -8.130  23.789   0.439
  505   1HD1  ILE  67          HD11      ILE  67  -5.984  23.770  -0.988
  506   2HD1  ILE  67          HD12      ILE  67  -5.814  22.576   0.306
  507   3HD1  ILE  67          HD13      ILE  67  -4.861  22.413  -1.174
  508    H    ASP  68           H        ASP  68  -6.447  19.777   0.530
  509    HA   ASP  68           HA       ASP  68  -5.667  20.873   3.174
  510   1HB   ASP  68          HB2       ASP  68  -6.625  18.601   3.491
  511   2HB   ASP  68          HB3       ASP  68  -5.431  17.954   2.346
  512    H    SER  69           H        SER  69  -3.958  22.108   2.592
  513    HA   SER  69           HA       SER  69  -2.279  21.709   0.355
  514   1HB   SER  69          HB2       SER  69  -0.803  23.329   1.751
  515   2HB   SER  69          HB3       SER  69  -2.371  23.877   1.147
  516    HG   SER  69           HG       SER  69  -2.075  24.414   3.352
  517    H    ASP  70           H        ASP  70  -2.262  20.179   3.544
  518    HA   ASP  70           HA       ASP  70   0.520  19.521   3.564
  519   1HB   ASP  70          HB2       ASP  70  -0.958  19.665   5.580
  520   2HB   ASP  70          HB3       ASP  70  -1.736  18.164   5.061
  521    H    ILE  71           H        ILE  71  -1.917  18.362   1.537
  522    HA   ILE  71           HA       ILE  71  -0.215  15.992   0.885
  523    HB   ILE  71           HB       ILE  71  -3.231  16.209   0.633
  524   1HG1  ILE  71          HG12      ILE  71  -1.496  14.168   2.077
  525   2HG1  ILE  71          HG13      ILE  71  -2.237  15.563   2.888
  526   1HG2  ILE  71          HG21      ILE  71  -3.138  13.975  -0.420
  527   2HG2  ILE  71          HG22      ILE  71  -2.187  15.097  -1.383
  528   3HG2  ILE  71          HG23      ILE  71  -1.365  13.962  -0.304
  529   1HD1  ILE  71          HD11      ILE  71  -3.614  13.646   3.320
  530   2HD1  ILE  71          HD12      ILE  71  -4.500  14.721   2.219
  531   3HD1  ILE  71          HD13      ILE  71  -3.725  13.240   1.605
  532    H    LEU  72           H        LEU  72  -2.540  18.466  -0.423
  533    HA   LEU  72           HA       LEU  72  -1.938  18.162  -3.074
  534   1HB   LEU  72          HB2       LEU  72  -3.715  19.506  -2.420
  535   2HB   LEU  72          HB3       LEU  72  -2.751  20.526  -1.395
  536    HG   LEU  72           HG       LEU  72  -1.935  20.648  -4.253
  537   1HD1  LEU  72          HD11      LEU  72  -4.347  20.368  -4.597
  538   2HD1  LEU  72          HD12      LEU  72  -4.681  21.683  -3.452
  539   3HD1  LEU  72          HD13      LEU  72  -3.835  22.017  -4.980
  540   1HD2  LEU  72          HD21      LEU  72  -1.960  23.072  -3.737
  541   2HD2  LEU  72          HD22      LEU  72  -2.720  22.731  -2.169
  542   3HD2  LEU  72          HD23      LEU  72  -1.077  22.167  -2.499
  543    H    ASN  73           H        ASN  73   0.042  20.149  -0.787
  544    HA   ASN  73           HA       ASN  73   1.753  21.049  -2.873
  545   1HB   ASN  73          HB2       ASN  73   2.852  22.273  -1.331
  546   2HB   ASN  73          HB3       ASN  73   1.381  21.987  -0.417
  547   1HD2  ASN  73          HD22      ASN  73   1.496  20.044   1.144
  548   2HD2  ASN  73          HD21      ASN  73   3.024  19.842   1.987
  549    H    ASN  74           H        ASN  74   1.580  17.903  -1.793
  550    HA   ASN  74           HA       ASN  74   4.334  17.336  -2.727
  551   1HB   ASN  74          HB2       ASN  74   4.597  15.602  -0.991
  552   2HB   ASN  74          HB3       ASN  74   4.544  17.229  -0.323
  553   1HD2  ASN  74          HD22      ASN  74   2.775  17.843   0.981
  554   2HD2  ASN  74          HD21      ASN  74   1.680  16.663   1.666
  555    H    ALA  75           H        ALA  75   1.247  17.014  -3.571
  556    HA   ALA  75           HA       ALA  75   1.064  14.217  -4.122
  557   1HB   ALA  75          HB1       ALA  75  -0.892  15.694  -4.141
  558   2HB   ALA  75          HB2       ALA  75  -0.197  16.627  -5.491
  559   3HB   ALA  75          HB3       ALA  75  -0.677  14.934  -5.733
  560    H    ASP  76           H        ASP  76   1.525  13.217  -6.374
  561    HA   ASP  76           HA       ASP  76   3.979  14.327  -7.559
  562   1HB   ASP  76          HB2       ASP  76   3.514  11.864  -7.600
  563   2HB   ASP  76          HB3       ASP  76   2.138  12.173  -8.677
  564    H    LEU  77           H        LEU  77   0.467  14.264  -8.141
  565    HA   LEU  77           HA       LEU  77   0.811  16.719  -9.632
  566   1HB   LEU  77          HB2       LEU  77  -0.460  16.199 -11.516
  567   2HB   LEU  77          HB3       LEU  77   0.762  14.929 -11.389
  568    HG   LEU  77           HG       LEU  77  -2.104  14.506 -10.463
  569   1HD1  LEU  77          HD11      LEU  77  -2.492  13.496 -12.671
  570   2HD1  LEU  77          HD12      LEU  77  -2.140  15.223 -12.797
  571   3HD1  LEU  77          HD13      LEU  77  -0.880  14.049 -13.201
  572   1HD2  LEU  77          HD21      LEU  77   0.245  12.697 -11.220
  573   2HD2  LEU  77          HD22      LEU  77  -0.525  12.837  -9.630
  574   3HD2  LEU  77          HD23      LEU  77  -1.414  12.126 -10.981
  575    H    VAL  78           H        VAL  78  -0.985  17.966  -9.835
  576    HA   VAL  78           HA       VAL  78  -3.349  17.306  -8.145
  577    HB   VAL  78           HB       VAL  78  -1.944  19.934  -8.783
  578   1HG1  VAL  78          HG11      VAL  78  -4.630  19.533  -7.372
  579   2HG1  VAL  78          HG12      VAL  78  -3.714  21.059  -7.422
  580   3HG1  VAL  78          HG13      VAL  78  -4.360  20.377  -8.915
  581   1HG2  VAL  78          HG21      VAL  78  -2.661  18.755  -6.059
  582   2HG2  VAL  78          HG22      VAL  78  -1.100  18.499  -6.839
  583   3HG2  VAL  78          HG23      VAL  78  -1.589  20.140  -6.430
  584    H    VAL  79           H        VAL  79  -5.274  17.391  -9.278
  585    HA   VAL  79           HA       VAL  79  -5.265  18.484 -12.040
  586    HB   VAL  79           HB       VAL  79  -7.024  16.476 -12.371
  587   1HG1  VAL  79          HG11      VAL  79  -5.449  16.987 -13.944
  588   2HG1  VAL  79          HG12      VAL  79  -4.064  16.525 -12.923
  589   3HG1  VAL  79          HG13      VAL  79  -5.169  15.286 -13.581
  590   1HG2  VAL  79          HG21      VAL  79  -4.748  15.165 -10.761
  591   2HG2  VAL  79          HG22      VAL  79  -6.404  15.365 -10.151
  592   3HG2  VAL  79          HG23      VAL  79  -6.086  14.347 -11.570
  593    H    THR  80           H        THR  80  -6.425  20.244 -11.744
  594    HA   THR  80           HA       THR  80  -8.636  20.142  -9.814
  595    HB   THR  80           HB       THR  80  -9.016  22.427 -10.098
  596    HG1  THR  80           HG1      THR  80  -8.795  22.941 -12.171
  597   1HG2  THR  80          HG21      THR  80  -5.980  22.212 -10.223
  598   2HG2  THR  80          HG22      THR  80  -6.980  23.357  -9.296
  599   3HG2  THR  80          HG23      THR  80  -6.902  21.671  -8.817
  600    H    LEU  81           H        LEU  81 -10.820  20.212 -10.508
  601    HA   LEU  81           HA       LEU  81 -11.156  18.999 -13.198
  602   1HB   LEU  81          HB2       LEU  81 -12.714  18.674 -10.629
  603   2HB   LEU  81          HB3       LEU  81 -13.111  17.881 -12.150
  604    HG   LEU  81           HG       LEU  81 -10.504  17.493 -10.597
  605   1HD1  LEU  81          HD11      LEU  81 -11.420  15.273 -10.069
  606   2HD1  LEU  81          HD12      LEU  81 -12.408  16.584  -9.407
  607   3HD1  LEU  81          HD13      LEU  81 -12.948  15.706 -10.862
  608   1HD2  LEU  81          HD21      LEU  81 -11.588  16.151 -13.108
  609   2HD2  LEU  81          HD22      LEU  81 -10.072  17.072 -12.939
  610   3HD2  LEU  81          HD23      LEU  81 -10.246  15.507 -12.148
  611    H    CYS  82           H        CYS  82 -11.591  22.049 -12.055
  612    HA   CYS  82           HA       CYS  82 -13.400  22.475 -14.204
  613   1HB   CYS  82          HB2       CYS  82 -15.227  23.504 -13.168
  614   2HB   CYS  82          HB3       CYS  82 -14.952  22.037 -12.226
  615    HG   CYS  82           HG       CYS  82 -15.546  23.883 -10.471
  616    H    GLY  83           H        GLY  83 -13.530  24.872 -14.693
  617   1HA   GLY  83          HA1       GLY  83 -10.872  25.793 -14.845
  618   2HA   GLY  83          HA2       GLY  83 -12.324  26.711 -15.288
  619    H    ASP  84           H        ASP  84 -13.591  26.880 -12.720
  620    HA   ASP  84           HA       ASP  84 -12.110  29.088 -11.614
  621   1HB   ASP  84          HB2       ASP  84 -14.574  28.961 -11.585
  622   2HB   ASP  84          HB3       ASP  84 -14.496  27.590 -10.475
  623    H    ALA  85           H        ALA  85 -12.475  25.660 -10.686
  624    HA   ALA  85           HA       ALA  85 -11.364  25.858  -8.086
  625   1HB   ALA  85          HB1       ALA  85 -12.603  23.880  -8.822
  626   2HB   ALA  85          HB2       ALA  85 -11.353  23.509 -10.034
  627   3HB   ALA  85          HB3       ALA  85 -10.989  23.422  -8.306
  628    H    ALA  86           H        ALA  86  -9.816  25.915 -11.233
  629    HA   ALA  86           HA       ALA  86  -7.259  24.986 -10.605
  630   1HB   ALA  86          HB1       ALA  86  -6.522  26.305 -12.525
  631   2HB   ALA  86          HB2       ALA  86  -8.084  25.521 -12.876
  632   3HB   ALA  86          HB3       ALA  86  -8.010  27.260 -12.471
  633    H    ASP  87           H        ASP  87  -8.770  28.066  -9.722
  634    HA   ASP  87           HA       ASP  87  -6.399  29.499  -9.067
  635   1HB   ASP  87          HB2       ASP  87  -8.600  30.566  -9.358
  636   2HB   ASP  87          HB3       ASP  87  -9.215  29.702  -7.942
  637    H    LYS  88           H        LYS  88  -8.238  27.027  -7.320
  638    HA   LYS  88           HA       LYS  88  -7.035  27.794  -4.750
  639   1HB   LYS  88          HB2       LYS  88  -9.486  27.161  -5.070
  640   2HB   LYS  88          HB3       LYS  88  -8.934  25.503  -5.298
  641   1HG   LYS  88          HG2       LYS  88  -9.645  25.707  -3.055
  642   2HG   LYS  88          HG3       LYS  88  -7.885  25.633  -2.986
  643   1HD   LYS  88          HD2       LYS  88  -7.743  28.052  -2.626
  644   2HD   LYS  88          HD3       LYS  88  -9.494  28.228  -2.905
  645   1HE   LYS  88          HE2       LYS  88  -9.951  26.765  -0.971
  646   2HE   LYS  88          HE3       LYS  88  -8.216  26.585  -0.677
  647   1HZ   LYS  88          HZ1       LYS  88  -8.111  28.979  -0.242
  648   2HZ   LYS  88          HZ2       LYS  88  -9.716  29.143  -0.512
  649   3HZ   LYS  88          HZ3       LYS  88  -9.186  28.275   0.759
  650    H    CYS  89           H        CYS  89  -4.952  27.289  -6.072
  651    HA   CYS  89           HA       CYS  89  -4.001  24.607  -5.137
  652   1HB   CYS  89          HB2       CYS  89  -2.932  26.237  -7.472
  653   2HB   CYS  89          HB3       CYS  89  -2.254  24.725  -6.846
  654    HG   CYS  89           HG       CYS  89  -5.110  25.377  -8.347
  655    HA   PRO  90           HA       PRO  90  -2.699  28.265  -2.670
  656   1HB   PRO  90          HB2       PRO  90  -2.159  26.922  -0.262
  657   2HB   PRO  90          HB3       PRO  90  -3.702  27.676  -0.758
  658   1HG   PRO  90          HG2       PRO  90  -2.864  24.789  -0.977
  659   2HG   PRO  90          HG3       PRO  90  -4.457  25.457  -0.494
  660   1HD   PRO  90          HD2       PRO  90  -4.043  24.495  -2.986
  661   2HD   PRO  90          HD3       PRO  90  -5.020  25.969  -2.730
  662    H    MET  91           H        MET  91  -0.842  25.222  -2.822
  663    HA   MET  91           HA       MET  91   1.431  26.689  -3.716
  664   1HB   MET  91          HB2       MET  91   3.041  25.682  -2.031
  665   2HB   MET  91          HB3       MET  91   2.102  27.063  -1.485
  666   1HG   MET  91          HG2       MET  91   0.647  25.677  -0.159
  667   2HG   MET  91          HG3       MET  91   1.333  24.200  -0.837
  668   1HE   MET  91          HE1       MET  91   0.974  24.777   2.327
  669   2HE   MET  91          HE2       MET  91   1.603  23.252   1.656
  670   3HE   MET  91          HE3       MET  91   2.500  24.101   2.933
  671    H    THR  92           H        THR  92   2.224  25.457  -5.313
  672    HA   THR  92           HA       THR  92   2.208  22.500  -5.085
  673    HB   THR  92           HB       THR  92   1.395  22.418  -7.474
  674    HG1  THR  92           HG1      THR  92   1.695  24.713  -7.820
  675   1HG2  THR  92          HG21      THR  92  -0.924  22.462  -6.902
  676   2HG2  THR  92          HG22      THR  92  -0.038  21.884  -5.487
  677   3HG2  THR  92          HG23      THR  92  -0.635  23.558  -5.538
  678    HA   PRO  93           HA       PRO  93   6.261  24.419  -6.283
  679   1HB   PRO  93          HB2       PRO  93   7.887  22.642  -4.925
  680   2HB   PRO  93          HB3       PRO  93   7.110  24.063  -4.167
  681   1HG   PRO  93          HG2       PRO  93   6.151  21.188  -4.175
  682   2HG   PRO  93          HG3       PRO  93   6.288  22.304  -2.779
  683   1HD   PRO  93          HD2       PRO  93   3.938  21.902  -4.063
  684   2HD   PRO  93          HD3       PRO  93   4.378  23.524  -3.455
  685    HA   PRO  94           HA       PRO  94   7.271  21.899  -9.748
  686   1HB   PRO  94          HB2       PRO  94  10.078  21.502  -8.682
  687   2HB   PRO  94          HB3       PRO  94   9.557  21.939 -10.342
  688   1HG   PRO  94          HG2       PRO  94  10.439  23.865  -8.663
  689   2HG   PRO  94          HG3       PRO  94   8.970  24.155  -9.650
  690   1HD   PRO  94          HD2       PRO  94   9.159  23.368  -6.740
  691   2HD   PRO  94          HD3       PRO  94   8.084  24.564  -7.522
  692    H    HIS  95           H        HIS  95   7.918  20.363  -6.654
  693    HA   HIS  95           HA       HIS  95   8.250  17.666  -7.526
  694   1HB   HIS  95          HB2       HIS  95   6.870  18.694  -5.015
  695   2HB   HIS  95          HB3       HIS  95   7.567  17.096  -5.254
  696    HD1  HIS  95           HD1      HIS  95  10.475  17.580  -6.099
  697    HD2  HIS  95           HD2      HIS  95   8.377  20.055  -3.413
  698    HE1  HIS  95           HE1      HIS  95  12.235  18.824  -4.750
  699    H    VAL  96           H        VAL  96   5.552  19.769  -7.834
  700    HA   VAL  96           HA       VAL  96   3.560  17.583  -8.063
  701    HB   VAL  96           HB       VAL  96   3.066  20.475  -7.192
  702   1HG1  VAL  96          HG11      VAL  96   0.978  19.584  -6.311
  703   2HG1  VAL  96          HG12      VAL  96   1.123  19.279  -8.046
  704   3HG1  VAL  96          HG13      VAL  96   1.400  17.961  -6.891
  705   1HG2  VAL  96          HG21      VAL  96   4.500  19.727  -5.457
  706   2HG2  VAL  96          HG22      VAL  96   2.837  19.726  -4.878
  707   3HG2  VAL  96          HG23      VAL  96   3.629  18.196  -5.295
  708    H    LYS  97           H        LYS  97   3.133  17.406 -10.321
  709    HA   LYS  97           HA       LYS  97   3.265  19.916 -11.910
  710   1HB   LYS  97          HB2       LYS  97   2.986  18.763 -13.868
  711   2HB   LYS  97          HB3       LYS  97   4.198  17.898 -12.969
  712   1HG   LYS  97          HG2       LYS  97   1.435  16.798 -12.661
  713   2HG   LYS  97          HG3       LYS  97   2.003  16.850 -14.317
  714   1HD   LYS  97          HD2       LYS  97   4.123  15.677 -13.589
  715   2HD   LYS  97          HD3       LYS  97   3.383  15.451 -11.997
  716   1HE   LYS  97          HE2       LYS  97   1.519  14.185 -13.047
  717   2HE   LYS  97          HE3       LYS  97   2.231  14.452 -14.646
  718   1HZ   LYS  97          HZ1       LYS  97   2.821  12.284 -13.804
  719   2HZ   LYS  97          HZ2       LYS  97   4.182  13.182 -13.848
  720   3HZ   LYS  97          HZ3       LYS  97   3.425  12.899 -12.411
  721    H    ARG  98           H        ARG  98   1.251  20.276 -13.345
  722    HA   ARG  98           HA       ARG  98  -1.215  19.856 -11.761
  723   1HB   ARG  98          HB2       ARG  98   0.186  22.449 -12.335
  724   2HB   ARG  98          HB3       ARG  98  -1.567  22.430 -12.550
  725   1HG   ARG  98          HG2       ARG  98  -1.985  21.767 -10.308
  726   2HG   ARG  98          HG3       ARG  98  -0.290  21.346 -10.020
  727   1HD   ARG  98          HD2       ARG  98  -0.957  23.445  -8.931
  728   2HD   ARG  98          HD3       ARG  98   0.395  23.645 -10.061
  729    HE   ARG  98           HE       ARG  98  -1.917  24.247 -11.515
  730   1HH1  ARG  98          HH21      ARG  98  -0.270  25.527  -8.628
  731   2HH1  ARG  98          HH22      ARG  98  -0.785  27.158  -8.904
  732   1HH2  ARG  98          HH11      ARG  98  -2.697  26.311 -11.808
  733   2HH2  ARG  98          HH12      ARG  98  -2.257  27.620 -10.754
  734    H    GLU  99           H        GLU  99  -3.092  19.946 -12.886
  735    HA   GLU  99           HA       GLU  99  -3.109  20.655 -15.714
  736   1HB   GLU  99          HB2       GLU  99  -3.169  17.896 -14.797
  737   2HB   GLU  99          HB3       GLU  99  -4.778  18.343 -15.392
  738   1HG   GLU  99          HG2       GLU  99  -2.240  18.708 -17.006
  739   2HG   GLU  99          HG3       GLU  99  -3.286  17.275 -17.048
  740    H    HIS 100           H        HIS 100  -5.324  21.169 -16.328
  741    HA   HIS 100           HA       HIS 100  -7.103  21.842 -14.028
  742   1HB   HIS 100          HB2       HIS 100  -5.923  23.805 -16.040
  743   2HB   HIS 100          HB3       HIS 100  -7.219  24.172 -14.901
  744    HD1  HIS 100           HD1      HIS 100  -6.256  23.238 -12.211
  745    HD2  HIS 100           HD2      HIS 100  -3.686  24.870 -15.105
  746    HE1  HIS 100           HE1      HIS 100  -4.235  24.122 -10.942
  747    H    TRP 101           H        TRP 101  -8.526  20.267 -14.765
  748    HA   TRP 101           HA       TRP 101  -9.500  20.274 -17.528
  749   1HB   TRP 101          HB2       TRP 101 -10.267  18.571 -15.135
  750   2HB   TRP 101          HB3       TRP 101 -10.740  18.317 -16.808
  751    HD1  TRP 101           HD1      TRP 101  -7.370  19.160 -17.368
  752    HE1  TRP 101           HE1      TRP 101  -5.821  17.209 -17.566
  753    HE3  TRP 101           HE3      TRP 101 -10.276  15.645 -15.042
  754    HZ2  TRP 101           HZ2      TRP 101  -5.603  14.566 -16.402
  755    HZ3  TRP 101           HZ3      TRP 101  -9.313  13.436 -14.495
  756    HH2  TRP 101           HH2      TRP 101  -6.972  12.874 -15.156
  757    H    GLY 102           H        GLY 102 -12.100  19.986 -17.549
  758   1HA   GLY 102          HA1       GLY 102 -13.228  22.418 -16.203
  759   2HA   GLY 102          HA2       GLY 102 -13.205  22.245 -17.936
  760    H    PHE 103           H        PHE 103 -14.673  20.990 -14.931
  761    HA   PHE 103           HA       PHE 103 -16.948  20.035 -16.570
  762   1HB   PHE 103          HB2       PHE 103 -15.740  18.728 -14.104
  763   2HB   PHE 103          HB3       PHE 103 -17.248  18.245 -14.873
  764    HD1  PHE 103           HD1      PHE 103 -13.593  18.037 -15.065
  765    HD2  PHE 103           HD2      PHE 103 -17.257  17.479 -17.272
  766    HE1  PHE 103           HE1      PHE 103 -12.350  16.799 -16.821
  767    HE2  PHE 103           HE2      PHE 103 -16.025  16.269 -19.021
  768    HZ   PHE 103           HZ       PHE 103 -13.552  15.919 -18.811
  769    H    ASP 104           H        ASP 104 -18.740  21.013 -16.206
  770    HA   ASP 104           HA       ASP 104 -19.296  22.822 -14.032
  771   1HB   ASP 104          HB2       ASP 104 -20.352  22.950 -16.294
  772   2HB   ASP 104          HB3       ASP 104 -21.120  21.382 -15.993
  773    H    ASP 105           H        ASP 105 -20.961  22.450 -12.377
  774    HA   ASP 105           HA       ASP 105 -20.443  19.958 -11.047
  775   1HB   ASP 105          HB2       ASP 105 -20.757  22.182  -9.922
  776   2HB   ASP 105          HB3       ASP 105 -22.491  22.023 -10.223
  777    HA   PRO 106           HA       PRO 106 -23.680  18.019 -13.342
  778   1HB   PRO 106          HB2       PRO 106 -23.583  15.444 -12.307
  779   2HB   PRO 106          HB3       PRO 106 -22.388  16.107 -13.463
  780   1HG   PRO 106          HG2       PRO 106 -22.198  15.948 -10.439
  781   2HG   PRO 106          HG3       PRO 106 -20.959  15.495 -11.655
  782   1HD   PRO 106          HD2       PRO 106 -20.895  17.902 -10.402
  783   2HD   PRO 106          HD3       PRO 106 -20.465  17.749 -12.131
  784    H    ALA 107           H        ALA 107 -23.739  17.957  -9.785
  785    HA   ALA 107           HA       ALA 107 -26.382  16.888  -9.584
  786   1HB   ALA 107          HB1       ALA 107 -24.788  18.556  -7.592
  787   2HB   ALA 107          HB2       ALA 107 -26.261  17.635  -7.236
  788   3HB   ALA 107          HB3       ALA 107 -24.780  16.786  -7.727
  789    H    ARG 108           H        ARG 108 -25.255  19.987 -10.590
  790    HA   ARG 108           HA       ARG 108 -27.952  21.210 -10.202
  791   1HB   ARG 108          HB2       ARG 108 -25.206  22.548 -10.414
  792   2HB   ARG 108          HB3       ARG 108 -26.758  23.380 -10.350
  793   1HG   ARG 108          HG2       ARG 108 -26.153  23.548  -8.181
  794   2HG   ARG 108          HG3       ARG 108 -27.152  22.085  -8.134
  795   1HD   ARG 108          HD2       ARG 108 -25.090  20.703  -8.153
  796   2HD   ARG 108          HD3       ARG 108 -24.104  22.169  -8.252
  797    HE   ARG 108           HE       ARG 108 -25.770  22.441  -6.009
  798   1HH1  ARG 108          HH11      ARG 108 -23.099  20.265  -7.019
  799   2HH1  ARG 108          HH12      ARG 108 -22.506  20.106  -5.385
  800   1HH2  ARG 108          HH21      ARG 108 -24.949  22.110  -3.869
  801   2HH2  ARG 108          HH22      ARG 108 -23.546  21.105  -3.643
  802    H    ALA 109           H        ALA 109 -26.780  19.401 -12.443
  803    HA   ALA 109           HA       ALA 109 -26.495  20.995 -14.730
  804   1HB   ALA 109          HB1       ALA 109 -27.020  18.923 -15.992
  805   2HB   ALA 109          HB2       ALA 109 -25.901  18.621 -14.648
  806   3HB   ALA 109          HB3       ALA 109 -27.612  18.171 -14.495
  807    H    GLN 110           H        GLN 110 -29.413  20.131 -13.029
  808    HA   GLN 110           HA       GLN 110 -31.608  20.201 -13.441
  809   1HB   GLN 110          HB2       GLN 110 -30.981  22.935 -14.628
  810   2HB   GLN 110          HB3       GLN 110 -32.471  22.431 -13.829
  811   1HG   GLN 110          HG2       GLN 110 -29.783  22.929 -12.531
  812   2HG   GLN 110          HG3       GLN 110 -31.243  23.886 -12.383
  813   1HE2  GLN 110          HE22      GLN 110 -32.979  23.112 -10.996
  814   2HE2  GLN 110          HE21      GLN 110 -32.707  21.816  -9.863
  815    H    GLY 111           H        GLY 111 -32.848  21.926 -15.633
  816   1HA   GLY 111          HA1       GLY 111 -33.476  21.709 -17.879
  817   2HA   GLY 111          HA2       GLY 111 -32.563  20.194 -18.014
  818    H    THR 112           H        THR 112 -33.323  18.390 -16.599
  819    HA   THR 112           HA       THR 112 -35.785  18.305 -15.266
  820    HB   THR 112           HB       THR 112 -36.814  18.381 -17.458
  821    HG1  THR 112           HG1      THR 112 -37.041  15.677 -16.851
  822   1HG2  THR 112          HG21      THR 112 -36.498  16.552 -19.132
  823   2HG2  THR 112          HG22      THR 112 -35.132  17.662 -18.976
  824   3HG2  THR 112          HG23      THR 112 -35.045  16.053 -18.237
  825    H    GLU 113           H        GLU 113 -36.076  15.864 -14.539
  826    HA   GLU 113           HA       GLU 113 -33.622  15.245 -13.303
  827   1HB   GLU 113          HB2       GLU 113 -35.760  14.634 -12.337
  828   2HB   GLU 113          HB3       GLU 113 -36.122  13.551 -13.694
  829   1HG   GLU 113          HG2       GLU 113 -34.291  12.072 -13.094
  830   2HG   GLU 113          HG3       GLU 113 -33.718  13.195 -11.854
  831    H    GLU 114           H        GLU 114 -35.105  13.857 -16.220
  832    HA   GLU 114           HA       GLU 114 -33.048  11.850 -16.489
  833   1HB   GLU 114          HB2       GLU 114 -33.986  11.374 -18.683
  834   2HB   GLU 114          HB3       GLU 114 -35.196  11.333 -17.415
  835   1HG   GLU 114          HG2       GLU 114 -34.849  13.838 -19.096
  836   2HG   GLU 114          HG3       GLU 114 -35.684  12.443 -19.748
  837    H    GLU 115           H        GLU 115 -33.304  15.216 -17.498
  838    HA   GLU 115           HA       GLU 115 -31.157  15.041 -19.424
  839   1HB   GLU 115          HB2       GLU 115 -32.951  16.796 -19.481
  840   2HB   GLU 115          HB3       GLU 115 -32.287  17.471 -17.994
  841   1HG   GLU 115          HG2       GLU 115 -31.486  18.796 -19.798
  842   2HG   GLU 115          HG3       GLU 115 -30.116  17.876 -19.200
  843    H    LYS 116           H        LYS 116 -31.579  15.904 -15.971
  844    HA   LYS 116           HA       LYS 116 -28.892  16.575 -15.426
  845   1HB   LYS 116          HB2       LYS 116 -30.695  17.217 -13.973
  846   2HB   LYS 116          HB3       LYS 116 -31.203  15.542 -13.736
  847   1HG   LYS 116          HG2       LYS 116 -29.184  15.006 -12.567
  848   2HG   LYS 116          HG3       LYS 116 -28.523  16.640 -12.828
  849   1HD   LYS 116          HD2       LYS 116 -31.024  15.958 -11.232
  850   2HD   LYS 116          HD3       LYS 116 -29.402  16.221 -10.544
  851   1HE   LYS 116          HE2       LYS 116 -29.455  18.513 -11.715
  852   2HE   LYS 116          HE3       LYS 116 -31.195  18.239 -11.937
  853   1HZ   LYS 116          HZ1       LYS 116 -31.330  18.036  -9.475
  854   2HZ   LYS 116          HZ2       LYS 116 -29.718  18.419  -9.373
  855   3HZ   LYS 116          HZ3       LYS 116 -30.762  19.502  -9.976
  856    H    TRP 117           H        TRP 117 -30.611  13.433 -15.159
  857    HA   TRP 117           HA       TRP 117 -28.298  11.935 -14.428
  858   1HB   TRP 117          HB2       TRP 117 -30.591  11.023 -14.278
  859   2HB   TRP 117          HB3       TRP 117 -30.688  10.964 -16.039
  860    HD1  TRP 117           HD1      TRP 117 -29.235   9.087 -17.286
  861    HE1  TRP 117           HE1      TRP 117 -28.079   6.928 -16.514
  862    HE3  TRP 117           HE3      TRP 117 -29.369   9.846 -12.225
  863    HZ2  TRP 117           HZ2      TRP 117 -27.061   5.840 -14.075
  864    HZ3  TRP 117           HZ3      TRP 117 -28.163   8.305 -10.707
  865    HH2  TRP 117           HH2      TRP 117 -26.986   6.302 -11.618
  866    H    ALA 118           H        ALA 118 -29.617  12.737 -17.696
  867    HA   ALA 118           HA       ALA 118 -27.704  11.300 -19.173
  868   1HB   ALA 118          HB1       ALA 118 -28.336  12.810 -21.032
  869   2HB   ALA 118          HB2       ALA 118 -29.763  12.253 -20.138
  870   3HB   ALA 118          HB3       ALA 118 -29.137  13.894 -19.892
  871    H    PHE 119           H        PHE 119 -27.454  14.532 -17.641
  872    HA   PHE 119           HA       PHE 119 -24.865  15.061 -18.747
  873   1HB   PHE 119          HB2       PHE 119 -26.514  16.769 -17.898
  874   2HB   PHE 119          HB3       PHE 119 -26.098  16.278 -16.260
  875    HD1  PHE 119           HD1      PHE 119 -24.094  17.099 -15.225
  876    HD2  PHE 119           HD2      PHE 119 -24.707  17.680 -19.446
  877    HE1  PHE 119           HE1      PHE 119 -22.180  18.698 -15.277
  878    HE2  PHE 119           HE2      PHE 119 -22.754  19.210 -19.519
  879    HZ   PHE 119           HZ       PHE 119 -21.485  19.712 -17.445
  880    H    PHE 120           H        PHE 120 -25.956  13.482 -15.656
  881    HA   PHE 120           HA       PHE 120 -23.429  13.136 -14.427
  882   1HB   PHE 120          HB2       PHE 120 -25.541  10.973 -14.593
  883   2HB   PHE 120          HB3       PHE 120 -24.226  11.100 -13.465
  884    HD1  PHE 120           HD1      PHE 120 -25.252  14.410 -13.359
  885    HD2  PHE 120           HD2      PHE 120 -26.678  10.450 -12.426
  886    HE1  PHE 120           HE1      PHE 120 -26.748  15.343 -11.635
  887    HE2  PHE 120           HE2      PHE 120 -28.260  11.413 -10.772
  888    HZ   PHE 120           HZ       PHE 120 -28.281  13.864 -10.360
  889    H    GLN 121           H        GLN 121 -25.072  11.211 -17.006
  890    HA   GLN 121           HA       GLN 121 -23.048   9.296 -17.380
  891   1HB   GLN 121          HB2       GLN 121 -25.032  10.396 -19.406
  892   2HB   GLN 121          HB3       GLN 121 -24.008   9.007 -19.684
  893   1HG   GLN 121          HG2       GLN 121 -26.075   9.215 -17.446
  894   2HG   GLN 121          HG3       GLN 121 -26.323   8.402 -18.986
  895   1HE2  GLN 121          HE22      GLN 121 -25.690   7.699 -15.829
  896   2HE2  GLN 121          HE21      GLN 121 -24.729   6.252 -16.035
  897    H    ARG 122           H        ARG 122 -23.406  12.471 -19.021
  898    HA   ARG 122           HA       ARG 122 -21.110  12.127 -20.690
  899   1HB   ARG 122          HB2       ARG 122 -22.597  14.609 -19.748
  900   2HB   ARG 122          HB3       ARG 122 -21.031  14.762 -20.529
  901   1HG   ARG 122          HG2       ARG 122 -22.605  15.037 -22.254
  902   2HG   ARG 122          HG3       ARG 122 -21.872  13.441 -22.486
  903   1HD   ARG 122          HD2       ARG 122 -23.853  12.449 -21.284
  904   2HD   ARG 122          HD3       ARG 122 -24.582  14.073 -21.248
  905    HE   ARG 122           HE       ARG 122 -24.034  13.619 -23.912
  906   1HH1  ARG 122          HH11      ARG 122 -25.871  11.974 -21.381
  907   2HH1  ARG 122          HH12      ARG 122 -26.930  11.131 -22.473
  908   1HH2  ARG 122          HH21      ARG 122 -25.495  12.581 -25.389
  909   2HH2  ARG 122          HH22      ARG 122 -26.742  11.546 -24.808
  910    H    VAL 123           H        VAL 123 -21.415  13.749 -17.471
  911    HA   VAL 123           HA       VAL 123 -18.651  14.415 -17.455
  912    HB   VAL 123           HB       VAL 123 -20.621  14.229 -15.143
  913   1HG1  VAL 123          HG11      VAL 123 -19.023  15.725 -13.943
  914   2HG1  VAL 123          HG12      VAL 123 -18.310  14.139 -14.259
  915   3HG1  VAL 123          HG13      VAL 123 -17.852  15.525 -15.268
  916   1HG2  VAL 123          HG21      VAL 123 -20.630  16.731 -15.394
  917   2HG2  VAL 123          HG22      VAL 123 -19.586  16.585 -16.815
  918   3HG2  VAL 123          HG23      VAL 123 -21.234  15.932 -16.848
  919    H    ARG 124           H        ARG 124 -20.309  11.456 -16.001
  920    HA   ARG 124           HA       ARG 124 -17.827  10.569 -14.951
  921   1HB   ARG 124          HB2       ARG 124 -18.774   8.395 -14.617
  922   2HB   ARG 124          HB3       ARG 124 -20.010   9.590 -14.217
  923   1HG   ARG 124          HG2       ARG 124 -21.115   9.116 -16.391
  924   2HG   ARG 124          HG3       ARG 124 -19.844   7.953 -16.791
  925   1HD   ARG 124          HD2       ARG 124 -20.471   6.648 -14.736
  926   2HD   ARG 124          HD3       ARG 124 -21.886   7.708 -14.565
  927    HE   ARG 124           HE       ARG 124 -21.960   6.833 -17.200
  928   1HH1  ARG 124          HH21      ARG 124 -22.054   5.171 -14.047
  929   2HH1  ARG 124          HH22      ARG 124 -22.819   3.761 -14.704
  930   1HH2  ARG 124          HH11      ARG 124 -23.210   5.094 -17.934
  931   2HH2  ARG 124          HH12      ARG 124 -23.386   3.662 -16.980
  932    H    ASP 125           H        ASP 125 -19.321   9.978 -18.140
  933    HA   ASP 125           HA       ASP 125 -17.420   8.102 -19.053
  934   1HB   ASP 125          HB2       ASP 125 -19.515   8.489 -20.235
  935   2HB   ASP 125          HB3       ASP 125 -19.040  10.150 -20.613
  936    H    GLU 126           H        GLU 126 -17.412  11.706 -19.247
  937    HA   GLU 126           HA       GLU 126 -14.942  11.844 -20.638
  938   1HB   GLU 126          HB2       GLU 126 -16.760  13.761 -19.240
  939   2HB   GLU 126          HB3       GLU 126 -15.074  14.235 -19.408
  940   1HG   GLU 126          HG2       GLU 126 -16.570  13.202 -21.824
  941   2HG   GLU 126          HG3       GLU 126 -16.741  14.874 -21.289
  942    H    ILE 127           H        ILE 127 -15.725  12.031 -17.081
  943    HA   ILE 127           HA       ILE 127 -13.041  12.637 -16.377
  944    HB   ILE 127           HB       ILE 127 -15.474  12.430 -15.028
  945   1HG1  ILE 127          HG12      ILE 127 -14.140  13.049 -12.964
  946   2HG1  ILE 127          HG13      ILE 127 -12.684  12.926 -13.971
  947   1HG2  ILE 127          HG21      ILE 127 -13.703  10.362 -13.781
  948   2HG2  ILE 127          HG22      ILE 127 -15.210  11.040 -13.112
  949   3HG2  ILE 127          HG23      ILE 127 -15.268  10.120 -14.619
  950   1HD1  ILE 127          HD11      ILE 127 -13.641  14.638 -15.497
  951   2HD1  ILE 127          HD12      ILE 127 -15.141  14.661 -14.542
  952   3HD1  ILE 127          HD13      ILE 127 -13.626  15.251 -13.823
  953    H    GLY 128           H        GLY 128 -14.722   9.515 -16.833
  954   1HA   GLY 128          HA1       GLY 128 -12.557   7.796 -16.186
  955   2HA   GLY 128          HA2       GLY 128 -13.909   7.434 -17.284
  956    H    ASN 129           H        ASN 129 -13.588   9.214 -19.346
  957    HA   ASN 129           HA       ASN 129 -11.518   8.183 -20.943
  958   1HB   ASN 129          HB2       ASN 129 -13.434   9.161 -21.971
  959   2HB   ASN 129          HB3       ASN 129 -13.203  10.678 -21.116
  960   1HD2  ASN 129          HD22      ASN 129 -12.703  12.263 -22.530
  961   2HD2  ASN 129          HD21      ASN 129 -11.520  12.086 -23.816
  962    H    ARG 130           H        ARG 130 -11.519  11.193 -18.978
  963    HA   ARG 130           HA       ARG 130  -8.924  12.002 -19.881
  964   1HB   ARG 130          HB2       ARG 130 -10.193  12.682 -17.194
  965   2HB   ARG 130          HB3       ARG 130  -8.816  13.472 -17.948
  966   1HG   ARG 130          HG2       ARG 130 -11.724  13.743 -18.601
  967   2HG   ARG 130          HG3       ARG 130 -10.524  14.973 -18.321
  968   1HD   ARG 130          HD2       ARG 130  -9.523  14.569 -20.543
  969   2HD   ARG 130          HD3       ARG 130 -10.617  13.209 -20.810
  970    HE   ARG 130           HE       ARG 130 -12.354  14.555 -21.308
  971   1HH1  ARG 130          HH21      ARG 130  -9.726  16.615 -20.046
  972   2HH1  ARG 130          HH22      ARG 130 -10.450  18.089 -20.570
  973   1HH2  ARG 130          HH11      ARG 130 -13.310  16.485 -21.981
  974   2HH2  ARG 130          HH12      ARG 130 -12.552  18.022 -21.685
  975    H    LEU 131           H        LEU 131  -9.929   9.928 -17.091
  976    HA   LEU 131           HA       LEU 131  -7.197   9.614 -16.234
  977   1HB   LEU 131          HB2       LEU 131  -9.775   8.262 -15.521
  978   2HB   LEU 131          HB3       LEU 131  -8.273   7.411 -15.174
  979    HG   LEU 131           HG       LEU 131  -8.978   8.636 -13.271
  980   1HD1  LEU 131          HD11      LEU 131  -6.459   9.992 -14.317
  981   2HD1  LEU 131          HD12      LEU 131  -6.866   9.601 -12.656
  982   3HD1  LEU 131          HD13      LEU 131  -6.517   8.295 -13.785
  983   1HD2  LEU 131          HD21      LEU 131 -10.179  10.488 -14.289
  984   2HD2  LEU 131          HD22      LEU 131  -8.996  11.075 -13.131
  985   3HD2  LEU 131          HD23      LEU 131  -8.654  11.190 -14.866
  986    H    LYS 132           H        LYS 132  -9.231   7.746 -18.497
  987    HA   LYS 132           HA       LYS 132  -7.348   5.708 -19.050
  988   1HB   LYS 132          HB2       LYS 132  -9.431   5.285 -19.885
  989   2HB   LYS 132          HB3       LYS 132  -9.732   6.909 -20.419
  990   1HG   LYS 132          HG2       LYS 132  -7.742   5.140 -21.885
  991   2HG   LYS 132          HG3       LYS 132  -9.481   4.997 -22.133
  992   1HD   LYS 132          HD2       LYS 132  -9.143   7.730 -22.400
  993   2HD   LYS 132          HD3       LYS 132  -7.631   7.118 -23.082
  994   1HE   LYS 132          HE2       LYS 132  -8.847   5.791 -24.712
  995   2HE   LYS 132          HE3       LYS 132 -10.382   6.090 -23.884
  996   1HZ   LYS 132          HZ1       LYS 132  -8.782   8.155 -25.276
  997   2HZ   LYS 132          HZ2       LYS 132 -10.187   7.514 -25.794
  998   3HZ   LYS 132          HZ3       LYS 132 -10.174   8.445 -24.446
  999    H    GLU 133           H        GLU 133  -7.714   8.937 -20.644
 1000    HA   GLU 133           HA       GLU 133  -5.402   8.586 -22.300
 1001   1HB   GLU 133          HB2       GLU 133  -6.952  10.984 -21.270
 1002   2HB   GLU 133          HB3       GLU 133  -5.349  11.211 -21.958
 1003   1HG   GLU 133          HG2       GLU 133  -6.201   9.822 -23.987
 1004   2HG   GLU 133          HG3       GLU 133  -7.816  10.140 -23.349
 1005    H    PHE 134           H        PHE 134  -5.710  10.073 -19.017
 1006    HA   PHE 134           HA       PHE 134  -3.018  10.809 -18.803
 1007   1HB   PHE 134          HB2       PHE 134  -4.721  11.565 -17.296
 1008   2HB   PHE 134          HB3       PHE 134  -5.061   9.920 -16.754
 1009    HD1  PHE 134           HD1      PHE 134  -4.047   9.101 -14.803
 1010    HD2  PHE 134           HD2      PHE 134  -2.286  12.446 -16.878
 1011    HE1  PHE 134           HE1      PHE 134  -2.386   9.362 -12.973
 1012    HE2  PHE 134           HE2      PHE 134  -0.630  12.703 -15.064
 1013    HZ   PHE 134           HZ       PHE 134  -0.708  11.209 -13.088
 1014    H    ALA 135           H        ALA 135  -4.532   7.655 -18.211
 1015    HA   ALA 135           HA       ALA 135  -2.178   6.417 -17.146
 1016   1HB   ALA 135          HB1       ALA 135  -4.684   5.182 -18.361
 1017   2HB   ALA 135          HB2       ALA 135  -3.452   4.322 -17.415
 1018   3HB   ALA 135          HB3       ALA 135  -4.430   5.587 -16.648
 1019    H    GLU 136           H        GLU 136  -3.709   6.450 -20.372
 1020    HA   GLU 136           HA       GLU 136  -1.859   4.585 -21.524
 1021   1HB   GLU 136          HB2       GLU 136  -3.987   6.420 -22.677
 1022   2HB   GLU 136          HB3       GLU 136  -3.010   5.369 -23.694
 1023   1HG   GLU 136          HG2       GLU 136  -4.726   4.334 -21.395
 1024   2HG   GLU 136          HG3       GLU 136  -5.265   4.442 -23.065
 1025    H    THR 137           H        THR 137  -2.124   8.120 -21.605
 1026    HA   THR 137           HA       THR 137   0.039   8.323 -23.503
 1027    HB   THR 137           HB       THR 137  -0.572  10.655 -23.644
 1028    HG1  THR 137           HG1      THR 137  -2.469  10.134 -21.627
 1029   1HG2  THR 137          HG21      THR 137  -1.886   8.985 -24.936
 1030   2HG2  THR 137          HG22      THR 137  -3.069   8.907 -23.616
 1031   3HG2  THR 137          HG23      THR 137  -2.839  10.422 -24.515
 1032    H    GLY 138           H        GLY 138  -0.317   8.391 -20.072
 1033   1HA   GLY 138          HA1       GLY 138   1.071   8.932 -18.342
 1034   2HA   GLY 138          HA2       GLY 138   2.439   8.900 -19.476
 1035    H    LYS 139           H        LYS 139  -0.508  10.896 -19.584
 1036    HA   LYS 139           HA       LYS 139   0.654  13.101 -20.661
 1037   1HB   LYS 139          HB2       LYS 139  -1.847  12.425 -20.221
 1038   2HB   LYS 139          HB3       LYS 139  -1.707  13.460 -18.801
 1039   1HG   LYS 139          HG2       LYS 139  -1.055  15.358 -20.187
 1040   2HG   LYS 139          HG3       LYS 139  -1.010  14.345 -21.636
 1041   1HD   LYS 139          HD2       LYS 139  -3.466  15.053 -19.985
 1042   2HD   LYS 139          HD3       LYS 139  -3.061  15.690 -21.571
 1043   1HE   LYS 139          HE2       LYS 139  -3.838  12.806 -20.915
 1044   2HE   LYS 139          HE3       LYS 139  -4.832  14.019 -21.723
 1045   1HZ   LYS 139          HZ1       LYS 139  -4.046  12.791 -23.438
 1046   2HZ   LYS 139          HZ2       LYS 139  -2.942  13.995 -23.448
 1047   3HZ   LYS 139          HZ3       LYS 139  -2.554  12.526 -22.780
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1   2.201  -0.707  -1.961
    2   2H    MET   1           H2       MET   1   1.343  -1.884  -1.203
    3   3H    MET   1           H3       MET   1   0.605  -0.906  -2.293
    4    HA   MET   1           HA       MET   1  -0.033  -0.288  -0.108
    5   1HB   MET   1          HB2       MET   1   1.990  -1.104   1.056
    6   2HB   MET   1          HB3       MET   1   2.926   0.243   0.401
    7   1HG   MET   1          HG2       MET   1   2.217   0.689   2.693
    8   2HG   MET   1          HG3       MET   1   1.476   1.845   1.592
    9   1HE   MET   1          HE1       MET   1  -1.199   1.525   4.423
   10   2HE   MET   1          HE2       MET   1   0.570   1.486   4.596
   11   3HE   MET   1          HE3       MET   1  -0.189   2.628   3.463
   12    H    GLU   2           H        GLU   2   2.812   1.757  -1.190
   13    HA   GLU   2           HA       GLU   2   1.043   3.498  -2.679
   14   1HB   GLU   2          HB2       GLU   2   1.613   5.527  -1.413
   15   2HB   GLU   2          HB3       GLU   2   0.681   4.400  -0.429
   16   1HG   GLU   2          HG2       GLU   2   2.738   3.669   0.729
   17   2HG   GLU   2          HG3       GLU   2   3.702   4.759  -0.269
   18    H    ASN   3           H        ASN   3   2.408   5.183  -3.796
   19    HA   ASN   3           HA       ASN   3   5.269   4.837  -3.891
   20   1HB   ASN   3          HB2       ASN   3   4.962   2.841  -5.066
   21   2HB   ASN   3          HB3       ASN   3   3.570   3.439  -5.939
   22   1HD2  ASN   3          HD22      ASN   3   3.873   4.422  -7.923
   23   2HD2  ASN   3          HD21      ASN   3   5.460   4.660  -8.657
   24    H    LYS   4           H        LYS   4   2.353   5.978  -5.597
   25    HA   LYS   4           HA       LYS   4   3.592   8.685  -5.782
   26   1HB   LYS   4          HB2       LYS   4   2.029   7.198  -7.935
   27   2HB   LYS   4          HB3       LYS   4   2.183   8.955  -7.934
   28   1HG   LYS   4          HG2       LYS   4   4.620   8.830  -8.044
   29   2HG   LYS   4          HG3       LYS   4   4.562   7.070  -8.003
   30   1HD   LYS   4          HD2       LYS   4   3.488   8.860 -10.223
   31   2HD   LYS   4          HD3       LYS   4   4.930   7.827 -10.267
   32   1HE   LYS   4          HE2       LYS   4   3.301   5.874  -9.720
   33   2HE   LYS   4          HE3       LYS   4   2.008   6.999 -10.144
   34   1HZ   LYS   4          HZ1       LYS   4   2.822   7.087 -12.364
   35   2HZ   LYS   4          HZ2       LYS   4   4.237   6.347 -11.992
   36   3HZ   LYS   4          HZ3       LYS   4   2.859   5.484 -11.960
   37    H    ILE   5           H        ILE   5   1.732  10.320  -6.158
   38    HA   ILE   5           HA       ILE   5  -0.818   9.526  -4.885
   39    HB   ILE   5           HB       ILE   5   1.084  11.723  -3.997
   40   1HG1  ILE   5          HG12      ILE   5  -0.382   9.643  -2.350
   41   2HG1  ILE   5          HG13      ILE   5   1.286   9.503  -2.912
   42   1HG2  ILE   5          HG21      ILE   5  -0.771  12.642  -2.553
   43   2HG2  ILE   5          HG22      ILE   5  -1.113  12.822  -4.258
   44   3HG2  ILE   5          HG23      ILE   5  -1.896  11.518  -3.365
   45   1HD1  ILE   5          HD11      ILE   5   1.865  11.579  -1.639
   46   2HD1  ILE   5          HD12      ILE   5   0.235  11.537  -0.919
   47   3HD1  ILE   5          HD13      ILE   5   1.358  10.205  -0.638
   48    H    ILE   6           H        ILE   6  -2.506  10.519  -5.901
   49    HA   ILE   6           HA       ILE   6  -1.954  12.819  -7.697
   50    HB   ILE   6           HB       ILE   6  -2.248  11.032  -9.202
   51   1HG1  ILE   6          HG12      ILE   6  -4.999  12.339  -8.946
   52   2HG1  ILE   6          HG13      ILE   6  -3.566  13.182  -9.529
   53   1HG2  ILE   6          HG21      ILE   6  -4.168   9.457  -9.178
   54   2HG2  ILE   6          HG22      ILE   6  -3.124   9.269  -7.775
   55   3HG2  ILE   6          HG23      ILE   6  -4.672  10.124  -7.615
   56   1HD1  ILE   6          HD11      ILE   6  -4.901  10.791 -10.855
   57   2HD1  ILE   6          HD12      ILE   6  -4.866  12.468 -11.419
   58   3HD1  ILE   6          HD13      ILE   6  -3.371  11.525 -11.396
   59    H    TYR   7           H        TYR   7  -3.379  14.521  -7.226
   60    HA   TYR   7           HA       TYR   7  -5.429  14.028  -5.120
   61   1HB   TYR   7          HB2       TYR   7  -3.235  14.861  -4.268
   62   2HB   TYR   7          HB3       TYR   7  -3.418  16.305  -5.255
   63    HD1  TYR   7           HD1      TYR   7  -3.791  18.109  -3.866
   64    HD2  TYR   7           HD2      TYR   7  -5.787  14.406  -2.968
   65    HE1  TYR   7           HE1      TYR   7  -4.682  19.096  -1.769
   66    HE2  TYR   7           HE2      TYR   7  -6.688  15.392  -0.876
   67    HH   TYR   7           HH       TYR   7  -5.452  18.542   0.290
   68    H    PHE   8           H        PHE   8  -7.382  14.513  -5.946
   69    HA   PHE   8           HA       PHE   8  -7.614  16.368  -8.220
   70   1HB   PHE   8          HB2       PHE   8  -9.679  14.715  -6.708
   71   2HB   PHE   8          HB3       PHE   8 -10.034  15.742  -8.090
   72    HD1  PHE   8           HD1      PHE   8  -8.984  12.443  -7.084
   73    HD2  PHE   8           HD2      PHE   8  -8.711  15.332 -10.276
   74    HE1  PHE   8           HE1      PHE   8  -8.278  10.656  -8.662
   75    HE2  PHE   8           HE2      PHE   8  -7.985  13.541 -11.836
   76    HZ   PHE   8           HZ       PHE   8  -7.766  11.203 -11.016
   77    H    LEU   9           H        LEU   9  -8.555  18.353  -8.179
   78    HA   LEU   9           HA       LEU   9  -9.568  19.521  -5.611
   79   1HB   LEU   9          HB2       LEU   9  -7.722  20.625  -7.761
   80   2HB   LEU   9          HB3       LEU   9  -8.782  21.709  -6.886
   81    HG   LEU   9           HG       LEU   9  -7.611  21.435  -4.837
   82   1HD1  LEU   9          HD11      LEU   9  -5.617  19.906  -4.645
   83   2HD1  LEU   9          HD12      LEU   9  -7.180  19.101  -4.650
   84   3HD1  LEU   9          HD13      LEU   9  -6.193  19.089  -6.121
   85   1HD2  LEU   9          HD21      LEU   9  -5.685  21.671  -7.118
   86   2HD2  LEU   9          HD22      LEU   9  -6.678  22.948  -6.379
   87   3HD2  LEU   9          HD23      LEU   9  -5.395  22.177  -5.433
   88    H    CYS  10           H        CYS  10 -11.585  20.573  -5.936
   89    HA   CYS  10           HA       CYS  10 -12.345  21.450  -8.592
   90   1HB   CYS  10          HB2       CYS  10 -12.992  18.909  -8.290
   91   2HB   CYS  10          HB3       CYS  10 -14.289  19.534  -7.258
   92    HG   CYS  10           HG       CYS  10 -13.464  20.466 -10.348
   93    H    THR  11           H        THR  11 -14.662  22.602  -8.372
   94    HA   THR  11           HA       THR  11 -14.347  24.401  -6.170
   95    HB   THR  11           HB       THR  11 -16.604  25.281  -7.216
   96    HG1  THR  11           HG1      THR  11 -16.823  24.673  -9.341
   97   1HG2  THR  11          HG21      THR  11 -13.937  25.281  -8.692
   98   2HG2  THR  11          HG22      THR  11 -15.241  26.476  -8.864
   99   3HG2  THR  11          HG23      THR  11 -14.361  26.323  -7.330
  100    H    GLY  12           H        GLY  12 -15.859  21.394  -6.160
  101   1HA   GLY  12          HA1       GLY  12 -16.652  21.818  -3.458
  102   2HA   GLY  12          HA2       GLY  12 -18.076  21.582  -4.497
  103    H    ASN  13           H        ASN  13 -15.910  19.973  -2.614
  104    HA   ASN  13           HA       ASN  13 -15.446  17.587  -4.237
  105   1HB   ASN  13          HB2       ASN  13 -13.859  18.392  -2.499
  106   2HB   ASN  13          HB3       ASN  13 -15.055  18.046  -1.256
  107   1HD2  ASN  13          HD22      ASN  13 -12.855  16.802  -0.780
  108   2HD2  ASN  13          HD21      ASN  13 -12.766  15.145  -1.365
  109    H    SER  14           H        SER  14 -17.805  17.512  -4.765
  110    HA   SER  14           HA       SER  14 -19.171  15.722  -2.813
  111   1HB   SER  14          HB2       SER  14 -21.330  16.839  -3.481
  112   2HB   SER  14          HB3       SER  14 -20.242  17.798  -2.467
  113    HG   SER  14           HG       SER  14 -19.629  18.998  -4.222
  114    H    CYS  15           H        CYS  15 -18.635  16.643  -6.224
  115    HA   CYS  15           HA       CYS  15 -19.668  13.935  -6.964
  116   1HB   CYS  15          HB2       CYS  15 -20.061  16.484  -8.580
  117   2HB   CYS  15          HB3       CYS  15 -20.736  14.884  -8.907
  118    HG   CYS  15           HG       CYS  15 -22.295  16.991  -7.964
  119    H    ARG  16           H        ARG  16 -17.979  16.681  -8.605
  120    HA   ARG  16           HA       ARG  16 -16.842  15.031 -10.558
  121   1HB   ARG  16          HB2       ARG  16 -16.087  17.790  -9.523
  122   2HB   ARG  16          HB3       ARG  16 -15.243  17.067 -10.890
  123   1HG   ARG  16          HG2       ARG  16 -17.164  16.990 -12.251
  124   2HG   ARG  16          HG3       ARG  16 -18.281  17.218 -10.905
  125   1HD   ARG  16          HD2       ARG  16 -16.295  19.342 -11.781
  126   2HD   ARG  16          HD3       ARG  16 -17.944  19.226 -12.402
  127    HE   ARG  16           HE       ARG  16 -18.398  19.229  -9.714
  128   1HH1  ARG  16          HH21      ARG  16 -16.892  21.521 -11.971
  129   2HH1  ARG  16          HH22      ARG  16 -16.908  22.827 -10.818
  130   1HH2  ARG  16          HH11      ARG  16 -18.342  20.925  -8.214
  131   2HH2  ARG  16          HH12      ARG  16 -17.650  22.472  -8.651
  132    H    SER  17           H        SER  17 -15.104  16.243  -7.596
  133    HA   SER  17           HA       SER  17 -12.740  14.837  -8.160
  134   1HB   SER  17          HB2       SER  17 -13.733  15.452  -5.372
  135   2HB   SER  17          HB3       SER  17 -12.069  15.451  -5.999
  136    HG   SER  17           HG       SER  17 -12.761  17.548  -5.786
  137    H    GLN  18           H        GLN  18 -15.708  13.732  -6.509
  138    HA   GLN  18           HA       GLN  18 -14.538  11.340  -5.400
  139   1HB   GLN  18          HB2       GLN  18 -17.428  12.201  -5.968
  140   2HB   GLN  18          HB3       GLN  18 -16.988  10.759  -5.071
  141   1HG   GLN  18          HG2       GLN  18 -16.204  13.590  -4.243
  142   2HG   GLN  18          HG3       GLN  18 -17.604  12.732  -3.639
  143   1HE2  GLN  18          HE22      GLN  18 -15.013  13.703  -2.312
  144   2HE2  GLN  18          HE21      GLN  18 -14.476  12.291  -1.409
  145    H    MET  19           H        MET  19 -16.449  12.054  -8.379
  146    HA   MET  19           HA       MET  19 -16.518   9.355  -9.362
  147   1HB   MET  19          HB2       MET  19 -16.540  12.032 -10.839
  148   2HB   MET  19          HB3       MET  19 -16.812  10.458 -11.594
  149   1HG   MET  19          HG2       MET  19 -18.804  10.093 -10.227
  150   2HG   MET  19          HG3       MET  19 -18.570  11.654  -9.432
  151   1HE   MET  19          HE1       MET  19 -21.258  10.712 -10.879
  152   2HE   MET  19          HE2       MET  19 -21.117  12.309 -10.105
  153   3HE   MET  19          HE3       MET  19 -21.737  12.171 -11.769
  154    H    ALA  20           H        ALA  20 -14.239  12.111 -10.012
  155    HA   ALA  20           HA       ALA  20 -12.554  10.753 -11.789
  156   1HB   ALA  20          HB1       ALA  20 -11.745  12.864  -9.743
  157   2HB   ALA  20          HB2       ALA  20 -10.898  12.457 -11.248
  158   3HB   ALA  20          HB3       ALA  20 -12.500  13.213 -11.314
  159    H    GLU  21           H        GLU  21 -12.425  10.895  -8.220
  160    HA   GLU  21           HA       GLU  21 -10.029   9.429  -7.879
  161   1HB   GLU  21          HB2       GLU  21 -11.003  10.722  -6.089
  162   2HB   GLU  21          HB3       GLU  21 -12.477   9.740  -6.089
  163   1HG   GLU  21          HG2       GLU  21 -11.218   7.779  -5.401
  164   2HG   GLU  21          HG3       GLU  21  -9.701   8.675  -5.446
  165    H    GLY  22           H        GLY  22 -13.456   8.269  -8.018
  166   1HA   GLY  22          HA1       GLY  22 -12.920   5.537  -7.646
  167   2HA   GLY  22          HA2       GLY  22 -14.308   6.215  -8.503
  168    H    TRP  23           H        TRP  23 -13.108   7.382 -10.799
  169    HA   TRP  23           HA       TRP  23 -12.597   5.008 -12.368
  170   1HB   TRP  23          HB2       TRP  23 -12.195   7.946 -13.041
  171   2HB   TRP  23          HB3       TRP  23 -11.931   6.633 -14.172
  172    HD1  TRP  23           HD1      TRP  23 -14.648   8.645 -12.570
  173    HE1  TRP  23           HE1      TRP  23 -16.860   8.269 -13.718
  174    HE3  TRP  23           HE3      TRP  23 -13.326   4.701 -15.550
  175    HZ2  TRP  23           HZ2      TRP  23 -17.972   6.465 -15.659
  176    HZ3  TRP  23           HZ3      TRP  23 -14.983   3.736 -17.124
  177    HH2  TRP  23           HH2      TRP  23 -17.311   4.635 -17.196
  178    H    ALA  24           H        ALA  24 -10.410   7.555 -11.017
  179    HA   ALA  24           HA       ALA  24  -8.132   6.690 -12.421
  180   1HB   ALA  24          HB1       ALA  24  -8.320   8.865 -11.139
  181   2HB   ALA  24          HB2       ALA  24  -8.215   7.945  -9.638
  182   3HB   ALA  24          HB3       ALA  24  -6.840   7.969 -10.762
  183    H    LYS  25           H        LYS  25  -9.493   5.522  -9.332
  184    HA   LYS  25           HA       LYS  25  -7.329   3.862  -8.574
  185   1HB   LYS  25          HB2       LYS  25 -10.325   3.594  -8.148
  186   2HB   LYS  25          HB3       LYS  25  -9.168   2.458  -7.446
  187   1HG   LYS  25          HG2       LYS  25  -8.098   4.149  -6.134
  188   2HG   LYS  25          HG3       LYS  25  -8.931   5.454  -6.987
  189   1HD   LYS  25          HD2       LYS  25 -11.113   4.622  -6.129
  190   2HD   LYS  25          HD3       LYS  25 -10.257   3.374  -5.188
  191   1HE   LYS  25          HE2       LYS  25  -9.077   5.087  -3.898
  192   2HE   LYS  25          HE3       LYS  25  -9.681   6.354  -4.971
  193   1HZ   LYS  25          HZ1       LYS  25 -11.017   6.445  -3.096
  194   2HZ   LYS  25          HZ2       LYS  25 -11.957   5.736  -4.209
  195   3HZ   LYS  25          HZ3       LYS  25 -11.266   4.803  -3.026
  196    H    GLN  26           H        GLN  26  -9.819   3.314 -11.048
  197    HA   GLN  26           HA       GLN  26  -9.187   0.509 -11.433
  198   1HB   GLN  26          HB2       GLN  26 -10.349   2.433 -13.461
  199   2HB   GLN  26          HB3       GLN  26 -10.342   0.680 -13.529
  200   1HG   GLN  26          HG2       GLN  26 -11.834   0.652 -11.487
  201   2HG   GLN  26          HG3       GLN  26 -11.949   2.425 -11.618
  202   1HE2  GLN  26          HE22      GLN  26 -12.145   3.013 -14.190
  203   2HE2  GLN  26          HE21      GLN  26 -13.529   2.246 -14.952
  204    H    TYR  27           H        TYR  27  -8.495   3.448 -13.327
  205    HA   TYR  27           HA       TYR  27  -6.838   2.089 -15.192
  206   1HB   TYR  27          HB2       TYR  27  -7.099   5.063 -14.597
  207   2HB   TYR  27          HB3       TYR  27  -6.258   4.396 -15.986
  208    HD1  TYR  27           HD1      TYR  27  -7.675   2.603 -17.414
  209    HD2  TYR  27           HD2      TYR  27  -9.345   5.736 -14.962
  210    HE1  TYR  27           HE1      TYR  27  -9.759   2.529 -18.745
  211    HE2  TYR  27           HE2      TYR  27 -11.391   5.730 -16.341
  212    HH   TYR  27           HH       TYR  27 -12.532   4.730 -18.127
  213    H    LEU  28           H        LEU  28  -5.931   3.946 -12.280
  214    HA   LEU  28           HA       LEU  28  -3.121   3.995 -13.118
  215   1HB   LEU  28          HB2       LEU  28  -4.486   5.098 -10.633
  216   2HB   LEU  28          HB3       LEU  28  -2.847   5.408 -11.137
  217    HG   LEU  28           HG       LEU  28  -5.353   6.347 -12.548
  218   1HD1  LEU  28          HD11      LEU  28  -4.572   7.583 -10.522
  219   2HD1  LEU  28          HD12      LEU  28  -3.019   7.876 -11.325
  220   3HD1  LEU  28          HD13      LEU  28  -4.511   8.561 -12.003
  221   1HD2  LEU  28          HD21      LEU  28  -3.757   5.741 -14.308
  222   2HD2  LEU  28          HD22      LEU  28  -3.874   7.486 -14.160
  223   3HD2  LEU  28          HD23      LEU  28  -2.467   6.642 -13.479
  224    H    GLY  29           H        GLY  29  -5.037   2.390 -10.593
  225   1HA   GLY  29          HA1       GLY  29  -4.597   0.423  -9.484
  226   2HA   GLY  29          HA2       GLY  29  -3.085   0.261 -10.381
  227    H    ASP  30           H        ASP  30  -2.698  -0.561  -8.043
  228    HA   ASP  30           HA       ASP  30  -2.593   1.256  -5.893
  229   1HB   ASP  30          HB2       ASP  30  -2.841  -1.252  -5.773
  230   2HB   ASP  30          HB3       ASP  30  -1.101  -1.383  -6.069
  231    H    GLU  31           H        GLU  31  -0.406   1.003  -8.430
  232    HA   GLU  31           HA       GLU  31   2.092   1.800  -7.311
  233   1HB   GLU  31          HB2       GLU  31   1.659   0.940  -9.619
  234   2HB   GLU  31          HB3       GLU  31   0.734   2.385  -9.989
  235   1HG   GLU  31          HG2       GLU  31   2.864   3.731  -9.631
  236   2HG   GLU  31          HG3       GLU  31   3.726   2.200  -9.477
  237    H    TRP  32           H        TRP  32  -0.925   3.367  -7.229
  238    HA   TRP  32           HA       TRP  32   0.303   5.976  -6.559
  239   1HB   TRP  32          HB2       TRP  32  -2.336   5.598  -8.013
  240   2HB   TRP  32          HB3       TRP  32  -1.504   7.103  -7.692
  241    HD1  TRP  32           HD1      TRP  32  -0.880   3.893  -9.763
  242    HE1  TRP  32           HE1      TRP  32  -0.157   4.553 -12.113
  243    HE3  TRP  32           HE3      TRP  32  -0.620   8.953  -9.105
  244    HZ2  TRP  32           HZ2      TRP  32   0.349   6.960 -13.572
  245    HZ3  TRP  32           HZ3      TRP  32  -0.094  10.411 -11.014
  246    HH2  TRP  32           HH2      TRP  32   0.357   9.435 -13.275
  247    H    LYS  33           H        LYS  33  -1.190   7.236  -5.224
  248    HA   LYS  33           HA       LYS  33  -3.429   5.767  -3.943
  249   1HB   LYS  33          HB2       LYS  33  -1.450   7.712  -2.698
  250   2HB   LYS  33          HB3       LYS  33  -3.006   7.349  -1.958
  251   1HG   LYS  33          HG2       LYS  33  -0.938   5.211  -2.590
  252   2HG   LYS  33          HG3       LYS  33  -0.984   6.129  -1.087
  253   1HD   LYS  33          HD2       LYS  33  -2.028   4.141  -0.529
  254   2HD   LYS  33          HD3       LYS  33  -3.339   5.288  -0.711
  255   1HE   LYS  33          HE2       LYS  33  -3.976   3.143  -1.614
  256   2HE   LYS  33          HE3       LYS  33  -3.890   4.287  -2.953
  257   1HZ   LYS  33          HZ1       LYS  33  -1.592   2.562  -2.286
  258   2HZ   LYS  33          HZ2       LYS  33  -2.786   1.962  -3.182
  259   3HZ   LYS  33          HZ3       LYS  33  -1.972   3.270  -3.742
  260    H    VAL  34           H        VAL  34  -5.270   7.053  -3.652
  261    HA   VAL  34           HA       VAL  34  -5.314   9.407  -5.477
  262    HB   VAL  34           HB       VAL  34  -7.431   7.230  -5.386
  263   1HG1  VAL  34          HG11      VAL  34  -7.817   9.533  -6.451
  264   2HG1  VAL  34          HG12      VAL  34  -6.659   9.035  -7.700
  265   3HG1  VAL  34          HG13      VAL  34  -8.148   8.102  -7.441
  266   1HG2  VAL  34          HG21      VAL  34  -5.476   5.939  -6.025
  267   2HG2  VAL  34          HG22      VAL  34  -6.464   6.232  -7.459
  268   3HG2  VAL  34          HG23      VAL  34  -4.989   7.186  -7.204
  269    H    TYR  35           H        TYR  35  -6.109  11.107  -4.384
  270    HA   TYR  35           HA       TYR  35  -8.422  10.606  -2.594
  271   1HB   TYR  35          HB2       TYR  35  -6.686  12.814  -1.685
  272   2HB   TYR  35          HB3       TYR  35  -7.664  11.698  -0.778
  273    HD1  TYR  35           HD1      TYR  35  -4.360  12.497  -2.046
  274    HD2  TYR  35           HD2      TYR  35  -6.706   9.400  -0.175
  275    HE1  TYR  35           HE1      TYR  35  -2.300  11.474  -1.189
  276    HE2  TYR  35           HE2      TYR  35  -4.630   8.302   0.617
  277    HH   TYR  35           HH       TYR  35  -2.296   8.434   0.745
  278    H    SER  36           H        SER  36  -9.648  12.608  -2.176
  279    HA   SER  36           HA       SER  36  -9.589  14.504  -4.457
  280   1HB   SER  36          HB2       SER  36 -12.145  14.294  -4.213
  281   2HB   SER  36          HB3       SER  36 -11.292  12.960  -5.017
  282    HG   SER  36           HG       SER  36 -11.518  11.717  -3.249
  283    H    ALA  37           H        ALA  37  -9.955  16.581  -3.937
  284    HA   ALA  37           HA       ALA  37 -11.069  17.314  -1.314
  285   1HB   ALA  37          HB1       ALA  37  -8.602  17.304  -1.108
  286   2HB   ALA  37          HB2       ALA  37  -8.514  18.498  -2.438
  287   3HB   ALA  37          HB3       ALA  37  -9.355  18.879  -0.907
  288    H    GLY  38           H        GLY  38 -11.138  19.993  -1.534
  289   1HA   GLY  38          HA1       GLY  38 -11.458  21.059  -4.134
  290   2HA   GLY  38          HA2       GLY  38 -13.051  20.617  -3.489
  291    H    ILE  39           H        ILE  39 -12.858  23.117  -4.001
  292    HA   ILE  39           HA       ILE  39 -11.704  24.943  -2.162
  293    HB   ILE  39           HB       ILE  39 -14.028  24.960  -4.088
  294   1HG1  ILE  39          HG12      ILE  39 -12.766  26.760  -5.167
  295   2HG1  ILE  39          HG13      ILE  39 -11.594  26.762  -3.853
  296   1HG2  ILE  39          HG21      ILE  39 -14.475  27.347  -3.690
  297   2HG2  ILE  39          HG22      ILE  39 -14.964  26.342  -2.333
  298   3HG2  ILE  39          HG23      ILE  39 -13.459  27.293  -2.230
  299   1HD1  ILE  39          HD11      ILE  39 -10.711  25.673  -5.853
  300   2HD1  ILE  39          HD12      ILE  39 -10.818  24.499  -4.555
  301   3HD1  ILE  39          HD13      ILE  39 -12.043  24.511  -5.857
  302    H    GLU  40           H        GLU  40 -14.795  23.181  -2.111
  303    HA   GLU  40           HA       GLU  40 -14.697  23.251   0.812
  304   1HB   GLU  40          HB2       GLU  40 -16.971  23.937   1.140
  305   2HB   GLU  40          HB3       GLU  40 -16.093  25.198   0.287
  306   1HG   GLU  40          HG2       GLU  40 -17.111  24.440  -1.875
  307   2HG   GLU  40          HG3       GLU  40 -18.007  23.188  -1.014
  308    H    ALA  41           H        ALA  41 -16.699  21.792   1.582
  309    HA   ALA  41           HA       ALA  41 -17.256  19.512  -0.193
  310   1HB   ALA  41          HB1       ALA  41 -15.748  19.267   2.460
  311   2HB   ALA  41          HB2       ALA  41 -16.337  17.926   1.472
  312   3HB   ALA  41          HB3       ALA  41 -15.051  18.978   0.850
  313    H    HIS  42           H        HIS  42 -18.733  18.017   0.971
  314    HA   HIS  42           HA       HIS  42 -19.982  18.900   3.460
  315   1HB   HIS  42          HB2       HIS  42 -21.353  20.095   1.783
  316   2HB   HIS  42          HB3       HIS  42 -21.615  18.596   0.894
  317    HD1  HIS  42           HD1      HIS  42 -22.521  20.134   4.353
  318    HD2  HIS  42           HD2      HIS  42 -23.653  17.108   1.648
  319    HE1  HIS  42           HE1      HIS  42 -24.680  19.137   5.257
  320    H    GLY  43           H        GLY  43 -20.187  16.662   0.633
  321   1HA   GLY  43          HA1       GLY  43 -19.054  14.445   1.843
  322   2HA   GLY  43          HA2       GLY  43 -20.813  14.284   2.049
  323    H    LEU  44           H        LEU  44 -19.369  12.525   0.382
  324    HA   LEU  44           HA       LEU  44 -19.616  13.211  -2.384
  325   1HB   LEU  44          HB2       LEU  44 -19.246  11.039  -2.924
  326   2HB   LEU  44          HB3       LEU  44 -18.223  11.366  -1.529
  327    HG   LEU  44           HG       LEU  44 -20.841   9.850  -1.539
  328   1HD1  LEU  44          HD11      LEU  44 -19.415   7.854  -1.207
  329   2HD1  LEU  44          HD12      LEU  44 -18.944   8.707  -2.687
  330   3HD1  LEU  44          HD13      LEU  44 -17.974   8.887  -1.220
  331   1HD2  LEU  44          HD21      LEU  44 -18.849  10.292   0.736
  332   2HD2  LEU  44          HD22      LEU  44 -20.562  10.785   0.704
  333   3HD2  LEU  44          HD23      LEU  44 -20.142   9.078   0.770
  334    H    ASN  45           H        ASN  45 -21.344  13.510  -3.603
  335    HA   ASN  45           HA       ASN  45 -23.894  13.611  -2.288
  336   1HB   ASN  45          HB2       ASN  45 -23.008  15.248  -4.005
  337   2HB   ASN  45          HB3       ASN  45 -23.224  14.002  -5.236
  338   1HD2  ASN  45          HD22      ASN  45 -25.147  14.207  -6.318
  339   2HD2  ASN  45          HD21      ASN  45 -26.639  14.839  -5.631
  340    HA   PRO  46           HA       PRO  46 -25.225   9.472  -3.153
  341   1HB   PRO  46          HB2       PRO  46 -27.919  10.663  -3.838
  342   2HB   PRO  46          HB3       PRO  46 -27.540   9.251  -2.798
  343   1HG   PRO  46          HG2       PRO  46 -28.100  11.648  -1.672
  344   2HG   PRO  46          HG3       PRO  46 -26.729  10.670  -1.048
  345   1HD   PRO  46          HD2       PRO  46 -26.649  13.011  -2.961
  346   2HD   PRO  46          HD3       PRO  46 -25.609  12.678  -1.538
  347    H    ASN  47           H        ASN  47 -26.152  11.933  -5.629
  348    HA   ASN  47           HA       ASN  47 -26.617  10.056  -7.711
  349   1HB   ASN  47          HB2       ASN  47 -26.748  11.753  -9.148
  350   2HB   ASN  47          HB3       ASN  47 -26.994  12.698  -7.685
  351   1HD2  ASN  47          HD22      ASN  47 -25.369  12.711 -10.638
  352   2HD2  ASN  47          HD21      ASN  47 -23.977  13.661 -10.175
  353    H    ALA  48           H        ALA  48 -23.568  11.401  -6.436
  354    HA   ALA  48           HA       ALA  48 -21.991  10.530  -8.694
  355   1HB   ALA  48          HB1       ALA  48 -21.109  11.257  -5.857
  356   2HB   ALA  48          HB2       ALA  48 -20.073  11.133  -7.292
  357   3HB   ALA  48          HB3       ALA  48 -21.311  12.406  -7.198
  358    H    VAL  49           H        VAL  49 -22.819   9.269  -5.444
  359    HA   VAL  49           HA       VAL  49 -21.248   6.907  -5.600
  360    HB   VAL  49           HB       VAL  49 -23.892   7.211  -4.136
  361   1HG1  VAL  49          HG11      VAL  49 -23.102   4.884  -4.328
  362   2HG1  VAL  49          HG12      VAL  49 -21.479   5.358  -3.810
  363   3HG1  VAL  49          HG13      VAL  49 -22.849   5.457  -2.677
  364   1HG2  VAL  49          HG21      VAL  49 -22.478   7.794  -2.168
  365   2HG2  VAL  49          HG22      VAL  49 -21.056   7.851  -3.229
  366   3HG2  VAL  49          HG23      VAL  49 -22.368   9.028  -3.421
  367    H    LYS  50           H        LYS  50 -24.736   7.447  -6.452
  368    HA   LYS  50           HA       LYS  50 -25.096   4.832  -7.407
  369   1HB   LYS  50          HB2       LYS  50 -26.838   6.493  -6.720
  370   2HB   LYS  50          HB3       LYS  50 -26.573   7.368  -8.238
  371   1HG   LYS  50          HG2       LYS  50 -27.268   5.388  -9.522
  372   2HG   LYS  50          HG3       LYS  50 -27.455   4.442  -8.041
  373   1HD   LYS  50          HD2       LYS  50 -28.979   7.025  -8.557
  374   2HD   LYS  50          HD3       LYS  50 -29.586   5.434  -9.064
  375   1HE   LYS  50          HE2       LYS  50 -29.473   4.649  -6.700
  376   2HE   LYS  50          HE3       LYS  50 -28.923   6.252  -6.197
  377   1HZ   LYS  50          HZ1       LYS  50 -31.296   5.991  -5.874
  378   2HZ   LYS  50          HZ2       LYS  50 -31.038   7.151  -6.986
  379   3HZ   LYS  50          HZ3       LYS  50 -31.545   5.665  -7.448
  380    H    ALA  51           H        ALA  51 -24.173   7.797  -9.276
  381    HA   ALA  51           HA       ALA  51 -24.293   6.625 -11.821
  382   1HB   ALA  51          HB1       ALA  51 -23.992   9.056 -11.446
  383   2HB   ALA  51          HB2       ALA  51 -22.368   8.752 -10.778
  384   3HB   ALA  51          HB3       ALA  51 -22.697   8.423 -12.489
  385    H    MET  52           H        MET  52 -21.514   6.678  -9.484
  386    HA   MET  52           HA       MET  52 -19.759   5.259 -11.264
  387   1HB   MET  52          HB2       MET  52 -19.782   5.824  -8.283
  388   2HB   MET  52          HB3       MET  52 -18.426   5.108  -9.151
  389   1HG   MET  52          HG2       MET  52 -19.621   7.859  -9.694
  390   2HG   MET  52          HG3       MET  52 -18.139   7.547  -8.808
  391   1HE   MET  52          HE1       MET  52 -15.678   6.271 -11.476
  392   2HE   MET  52          HE2       MET  52 -15.897   6.901  -9.825
  393   3HE   MET  52          HE3       MET  52 -16.686   5.395 -10.332
  394    H    LYS  53           H        LYS  53 -21.927   4.303  -8.552
  395    HA   LYS  53           HA       LYS  53 -21.102   1.611  -8.402
  396   1HB   LYS  53          HB2       LYS  53 -22.475   3.051  -6.757
  397   2HB   LYS  53          HB3       LYS  53 -23.888   2.624  -7.734
  398   1HG   LYS  53          HG2       LYS  53 -23.307   0.179  -7.223
  399   2HG   LYS  53          HG3       LYS  53 -22.022   0.792  -6.159
  400   1HD   LYS  53          HD2       LYS  53 -23.895   2.186  -4.994
  401   2HD   LYS  53          HD3       LYS  53 -25.028   1.210  -5.927
  402   1HE   LYS  53          HE2       LYS  53 -24.985   0.005  -3.978
  403   2HE   LYS  53          HE3       LYS  53 -23.731  -0.841  -4.887
  404   1HZ   LYS  53          HZ1       LYS  53 -23.024  -0.339  -2.631
  405   2HZ   LYS  53          HZ2       LYS  53 -22.074   0.523  -3.645
  406   3HZ   LYS  53          HZ3       LYS  53 -23.277   1.259  -2.830
  407    H    GLU  54           H        GLU  54 -23.555   3.176 -10.454
  408    HA   GLU  54           HA       GLU  54 -24.590   0.815 -11.650
  409   1HB   GLU  54          HB2       GLU  54 -24.470   3.733 -12.512
  410   2HB   GLU  54          HB3       GLU  54 -25.198   2.519 -13.548
  411   1HG   GLU  54          HG2       GLU  54 -26.061   2.946 -10.664
  412   2HG   GLU  54          HG3       GLU  54 -26.782   3.781 -12.036
  413    H    VAL  55           H        VAL  55 -21.461   2.255 -12.000
  414    HA   VAL  55           HA       VAL  55 -20.926   0.706 -14.485
  415    HB   VAL  55           HB       VAL  55 -19.366   2.945 -13.123
  416   1HG1  VAL  55          HG11      VAL  55 -17.764   1.604 -14.371
  417   2HG1  VAL  55          HG12      VAL  55 -18.843   1.561 -15.787
  418   3HG1  VAL  55          HG13      VAL  55 -18.084   3.078 -15.256
  419   1HG2  VAL  55          HG21      VAL  55 -21.062   2.929 -15.665
  420   2HG2  VAL  55          HG22      VAL  55 -21.453   3.785 -14.162
  421   3HG2  VAL  55          HG23      VAL  55 -20.050   4.271 -15.099
  422    H    GLY  56           H        GLY  56 -21.033   0.118 -11.242
  423   1HA   GLY  56          HA1       GLY  56 -20.205  -1.632 -10.037
  424   2HA   GLY  56          HA2       GLY  56 -19.128  -2.074 -11.370
  425    H    ILE  57           H        ILE  57 -19.026   1.272 -10.253
  426    HA   ILE  57           HA       ILE  57 -16.435   0.744  -8.875
  427    HB   ILE  57           HB       ILE  57 -17.399   3.303 -10.189
  428   1HG1  ILE  57          HG12      ILE  57 -15.389   1.246 -11.192
  429   2HG1  ILE  57          HG13      ILE  57 -16.947   1.648 -11.920
  430   1HG2  ILE  57          HG21      ILE  57 -14.691   2.469  -8.989
  431   2HG2  ILE  57          HG22      ILE  57 -15.035   4.039  -9.722
  432   3HG2  ILE  57          HG23      ILE  57 -15.840   3.586  -8.227
  433   1HD1  ILE  57          HD11      ILE  57 -15.345   2.763 -13.234
  434   2HD1  ILE  57          HD12      ILE  57 -16.090   4.020 -12.247
  435   3HD1  ILE  57          HD13      ILE  57 -14.466   3.391 -11.832
  436    H    ASP  58           H        ASP  58 -17.220   0.295  -6.894
  437    HA   ASP  58           HA       ASP  58 -19.528   1.671  -5.787
  438   1HB   ASP  58          HB2       ASP  58 -19.211  -0.705  -5.403
  439   2HB   ASP  58          HB3       ASP  58 -17.654  -0.415  -4.612
  440    H    ILE  59           H        ILE  59 -18.609   3.896  -5.877
  441    HA   ILE  59           HA       ILE  59 -16.366   4.514  -4.172
  442    HB   ILE  59           HB       ILE  59 -16.678   6.786  -4.704
  443   1HG1  ILE  59          HG12      ILE  59 -19.269   6.279  -6.173
  444   2HG1  ILE  59          HG13      ILE  59 -19.254   6.753  -4.478
  445   1HG2  ILE  59          HG21      ILE  59 -17.319   5.237  -7.222
  446   2HG2  ILE  59          HG22      ILE  59 -16.491   6.800  -7.107
  447   3HG2  ILE  59          HG23      ILE  59 -15.713   5.349  -6.459
  448   1HD1  ILE  59          HD11      ILE  59 -17.976   8.787  -5.009
  449   2HD1  ILE  59          HD12      ILE  59 -18.090   8.416  -6.741
  450   3HD1  ILE  59          HD13      ILE  59 -19.554   8.751  -5.798
  451    H    SER  60           H        SER  60 -19.369   3.525  -3.180
  452    HA   SER  60           HA       SER  60 -20.304   5.405  -1.405
  453   1HB   SER  60          HB2       SER  60 -20.221   2.427  -0.790
  454   2HB   SER  60          HB3       SER  60 -21.461   3.605  -0.335
  455    HG   SER  60           HG       SER  60 -20.998   2.251  -2.734
  456    H    ASN  61           H        ASN  61 -17.461   3.363  -1.054
  457    HA   ASN  61           HA       ASN  61 -17.070   3.638   1.768
  458   1HB   ASN  61          HB2       ASN  61 -16.122   1.797   0.413
  459   2HB   ASN  61          HB3       ASN  61 -15.151   2.954  -0.505
  460   1HD2  ASN  61          HD22      ASN  61 -15.706   1.777   2.875
  461   2HD2  ASN  61          HD21      ASN  61 -14.059   2.023   3.390
  462    H    GLN  62           H        GLN  62 -16.464   5.854  -0.886
  463    HA   GLN  62           HA       GLN  62 -14.132   7.108   0.217
  464   1HB   GLN  62          HB2       GLN  62 -16.033   8.057  -1.964
  465   2HB   GLN  62          HB3       GLN  62 -14.465   8.772  -1.552
  466   1HG   GLN  62          HG2       GLN  62 -13.350   6.637  -2.100
  467   2HG   GLN  62          HG3       GLN  62 -14.897   5.947  -2.587
  468   1HE2  GLN  62          HE22      GLN  62 -14.999   9.197  -3.678
  469   2HE2  GLN  62          HE21      GLN  62 -14.486   8.835  -5.322
  470    H    THR  63           H        THR  63 -14.224   9.554   0.573
  471    HA   THR  63           HA       THR  63 -16.608  10.622   1.835
  472    HB   THR  63           HB       THR  63 -15.050  11.331   3.821
  473    HG1  THR  63           HG1      THR  63 -13.105  10.482   3.062
  474   1HG2  THR  63          HG21      THR  63 -15.657   9.414   5.155
  475   2HG2  THR  63          HG22      THR  63 -16.991   9.785   4.052
  476   3HG2  THR  63          HG23      THR  63 -15.912   8.413   3.712
  477    H    SER  64           H        SER  64 -16.197  13.026   2.337
  478    HA   SER  64           HA       SER  64 -14.366  14.149   0.278
  479   1HB   SER  64          HB2       SER  64 -16.880  15.309   1.536
  480   2HB   SER  64          HB3       SER  64 -15.851  16.082   0.317
  481    HG   SER  64           HG       SER  64 -17.244  15.204  -0.926
  482    H    ASP  65           H        ASP  65 -13.334  16.128   0.775
  483    HA   ASP  65           HA       ASP  65 -13.207  17.220   3.459
  484   1HB   ASP  65          HB2       ASP  65 -11.460  15.341   3.407
  485   2HB   ASP  65          HB3       ASP  65 -10.663  16.233   2.103
  486    H    ILE  66           H        ILE  66 -11.968  19.327   3.329
  487    HA   ILE  66           HA       ILE  66 -12.161  20.505   0.621
  488    HB   ILE  66           HB       ILE  66 -12.203  22.599   1.622
  489   1HG1  ILE  66          HG12      ILE  66 -11.375  21.327   4.251
  490   2HG1  ILE  66          HG13      ILE  66 -10.445  22.474   3.260
  491   1HG2  ILE  66          HG21      ILE  66 -14.224  22.513   2.900
  492   2HG2  ILE  66          HG22      ILE  66 -14.223  21.078   1.862
  493   3HG2  ILE  66          HG23      ILE  66 -13.829  20.923   3.576
  494   1HD1  ILE  66          HD11      ILE  66 -12.970  23.021   4.841
  495   2HD1  ILE  66          HD12      ILE  66 -11.356  23.714   5.083
  496   3HD1  ILE  66          HD13      ILE  66 -12.306  24.155   3.637
  497    H    ILE  67           H        ILE  67 -10.272  22.014   0.110
  498    HA   ILE  67           HA       ILE  67  -8.091  20.337  -0.270
  499    HB   ILE  67           HB       ILE  67  -8.880  22.041  -1.768
  500   1HG1  ILE  67          HG12      ILE  67  -6.716  21.025  -2.132
  501   2HG1  ILE  67          HG13      ILE  67  -6.861  22.646  -2.793
  502   1HG2  ILE  67          HG21      ILE  67  -9.320  23.921  -0.293
  503   2HG2  ILE  67          HG22      ILE  67  -7.572  24.171  -0.055
  504   3HG2  ILE  67          HG23      ILE  67  -8.295  24.364  -1.659
  505   1HD1  ILE  67          HD11      ILE  67  -5.534  23.522  -0.828
  506   2HD1  ILE  67          HD12      ILE  67  -5.260  21.830  -0.348
  507   3HD1  ILE  67          HD13      ILE  67  -4.670  22.413  -1.896
  508    H    ASP  68           H        ASP  68  -6.853  19.506   1.186
  509    HA   ASP  68           HA       ASP  68  -5.582  21.161   3.296
  510   1HB   ASP  68          HB2       ASP  68  -6.446  18.943   3.921
  511   2HB   ASP  68          HB3       ASP  68  -5.426  18.179   2.695
  512    H    SER  69           H        SER  69  -3.843  22.274   2.634
  513    HA   SER  69           HA       SER  69  -2.470  21.929   0.242
  514   1HB   SER  69          HB2       SER  69  -1.202  23.263   2.628
  515   2HB   SER  69          HB3       SER  69  -1.248  23.797   0.938
  516    HG   SER  69           HG       SER  69  -2.613  25.012   2.375
  517    H    ASP  70           H        ASP  70  -2.044  20.144   3.245
  518    HA   ASP  70           HA       ASP  70   0.757  19.617   2.921
  519   1HB   ASP  70          HB2       ASP  70  -0.336  19.347   5.089
  520   2HB   ASP  70          HB3       ASP  70  -1.377  18.077   4.429
  521    H    ILE  71           H        ILE  71  -2.194  17.794   1.998
  522    HA   ILE  71           HA       ILE  71  -0.675  15.580   0.902
  523    HB   ILE  71           HB       ILE  71  -3.573  16.416   0.501
  524   1HG1  ILE  71          HG12      ILE  71  -2.244  14.142   2.046
  525   2HG1  ILE  71          HG13      ILE  71  -2.876  15.623   2.778
  526   1HG2  ILE  71          HG21      ILE  71  -2.126  13.891  -0.441
  527   2HG2  ILE  71          HG22      ILE  71  -3.884  14.183  -0.543
  528   3HG2  ILE  71          HG23      ILE  71  -2.790  15.154  -1.499
  529   1HD1  ILE  71          HD11      ILE  71  -5.166  15.006   1.903
  530   2HD1  ILE  71          HD12      ILE  71  -4.488  13.420   1.443
  531   3HD1  ILE  71          HD13      ILE  71  -4.502  13.916   3.140
  532    H    LEU  72           H        LEU  72  -2.180  18.519  -0.442
  533    HA   LEU  72           HA       LEU  72  -1.642  18.273  -3.147
  534   1HB   LEU  72          HB2       LEU  72  -2.843  20.101  -1.867
  535   2HB   LEU  72          HB3       LEU  72  -1.292  20.660  -1.313
  536    HG   LEU  72           HG       LEU  72  -0.801  20.919  -3.925
  537   1HD1  LEU  72          HD11      LEU  72  -3.016  20.026  -4.646
  538   2HD1  LEU  72          HD12      LEU  72  -3.851  21.252  -3.689
  539   3HD1  LEU  72          HD13      LEU  72  -2.854  21.738  -5.068
  540   1HD2  LEU  72          HD21      LEU  72  -2.475  22.758  -2.175
  541   2HD2  LEU  72          HD22      LEU  72  -0.715  22.690  -2.233
  542   3HD2  LEU  72          HD23      LEU  72  -1.607  23.275  -3.651
  543    H    ASN  73           H        ASN  73   0.616  19.486  -0.582
  544    HA   ASN  73           HA       ASN  73   2.753  19.824  -2.476
  545   1HB   ASN  73          HB2       ASN  73   2.493  20.152   0.520
  546   2HB   ASN  73          HB3       ASN  73   4.089  20.118  -0.224
  547   1HD2  ASN  73          HD22      ASN  73   0.979  21.882  -0.263
  548   2HD2  ASN  73          HD21      ASN  73   1.555  23.195  -1.290
  549    H    ASN  74           H        ASN  74   1.607  16.980  -0.951
  550    HA   ASN  74           HA       ASN  74   4.266  15.623  -1.090
  551   1HB   ASN  74          HB2       ASN  74   1.535  14.812  -0.002
  552   2HB   ASN  74          HB3       ASN  74   2.769  13.623  -0.367
  553   1HD2  ASN  74          HD22      ASN  74   1.886  16.207   1.833
  554   2HD2  ASN  74          HD21      ASN  74   3.113  15.840   3.025
  555    H    ALA  75           H        ALA  75   1.386  16.260  -2.963
  556    HA   ALA  75           HA       ALA  75   1.093  13.745  -4.123
  557   1HB   ALA  75          HB1       ALA  75  -0.638  15.524  -4.014
  558   2HB   ALA  75          HB2       ALA  75   0.252  16.422  -5.277
  559   3HB   ALA  75          HB3       ALA  75  -0.446  14.823  -5.629
  560    H    ASP  76           H        ASP  76   1.598  12.942  -6.299
  561    HA   ASP  76           HA       ASP  76   4.132  13.923  -7.432
  562   1HB   ASP  76          HB2       ASP  76   3.427  11.513  -7.664
  563   2HB   ASP  76          HB3       ASP  76   2.065  12.050  -8.671
  564    H    LEU  77           H        LEU  77   0.620  14.167  -7.987
  565    HA   LEU  77           HA       LEU  77   1.070  16.672  -9.346
  566   1HB   LEU  77          HB2       LEU  77  -0.163  16.277 -11.288
  567   2HB   LEU  77          HB3       LEU  77   1.012  14.963 -11.188
  568    HG   LEU  77           HG       LEU  77  -1.915  14.658 -10.391
  569   1HD1  LEU  77          HD11      LEU  77  -2.259  13.702 -12.608
  570   2HD1  LEU  77          HD12      LEU  77  -1.735  15.385 -12.736
  571   3HD1  LEU  77          HD13      LEU  77  -0.575  14.083 -13.050
  572   1HD2  LEU  77          HD21      LEU  77   0.355  12.712 -11.020
  573   2HD2  LEU  77          HD22      LEU  77  -0.502  12.892  -9.477
  574   3HD2  LEU  77          HD23      LEU  77  -1.350  12.250 -10.887
  575    H    VAL  78           H        VAL  78  -0.809  17.881  -9.718
  576    HA   VAL  78           HA       VAL  78  -3.134  17.252  -7.972
  577    HB   VAL  78           HB       VAL  78  -1.868  19.946  -8.673
  578   1HG1  VAL  78          HG11      VAL  78  -4.325  20.064  -8.348
  579   2HG1  VAL  78          HG12      VAL  78  -4.115  19.298  -6.755
  580   3HG1  VAL  78          HG13      VAL  78  -3.424  20.908  -7.094
  581   1HG2  VAL  78          HG21      VAL  78  -1.875  18.424  -6.022
  582   2HG2  VAL  78          HG22      VAL  78  -0.469  18.687  -7.058
  583   3HG2  VAL  78          HG23      VAL  78  -1.226  20.066  -6.296
  584    H    VAL  79           H        VAL  79  -5.149  17.508  -9.033
  585    HA   VAL  79           HA       VAL  79  -5.056  18.433 -11.867
  586    HB   VAL  79           HB       VAL  79  -6.609  15.990 -10.935
  587   1HG1  VAL  79          HG11      VAL  79  -7.575  17.207 -12.830
  588   2HG1  VAL  79          HG12      VAL  79  -6.011  17.152 -13.676
  589   3HG1  VAL  79          HG13      VAL  79  -6.921  15.647 -13.349
  590   1HG2  VAL  79          HG21      VAL  79  -4.989  14.678 -12.320
  591   2HG2  VAL  79          HG22      VAL  79  -3.969  16.127 -12.443
  592   3HG2  VAL  79          HG23      VAL  79  -4.258  15.358 -10.865
  593    H    THR  80           H        THR  80  -6.232  20.250 -11.910
  594    HA   THR  80           HA       THR  80  -8.424  20.630  -9.969
  595    HB   THR  80           HB       THR  80  -8.384  22.952 -10.870
  596    HG1  THR  80           HG1      THR  80  -7.560  22.375 -12.905
  597   1HG2  THR  80          HG21      THR  80  -5.925  23.442 -10.143
  598   2HG2  THR  80          HG22      THR  80  -7.046  22.754  -8.949
  599   3HG2  THR  80          HG23      THR  80  -5.827  21.735  -9.747
  600    H    LEU  81           H        LEU  81 -10.195  19.558 -10.605
  601    HA   LEU  81           HA       LEU  81 -10.627  18.750 -13.328
  602   1HB   LEU  81          HB2       LEU  81 -12.424  18.684 -10.879
  603   2HB   LEU  81          HB3       LEU  81 -12.821  17.901 -12.408
  604    HG   LEU  81           HG       LEU  81 -10.362  17.240 -10.721
  605   1HD1  LEU  81          HD11      LEU  81 -12.481  16.681  -9.597
  606   2HD1  LEU  81          HD12      LEU  81 -12.983  15.734 -11.021
  607   3HD1  LEU  81          HD13      LEU  81 -11.565  15.242 -10.067
  608   1HD2  LEU  81          HD21      LEU  81 -11.551  15.907 -13.199
  609   2HD2  LEU  81          HD22      LEU  81  -9.948  16.647 -13.047
  610   3HD2  LEU  81          HD23      LEU  81 -10.317  15.167 -12.164
  611    H    CYS  82           H        CYS  82 -11.204  21.833 -11.973
  612    HA   CYS  82           HA       CYS  82 -12.762  22.467 -14.319
  613   1HB   CYS  82          HB2       CYS  82 -14.558  23.620 -13.152
  614   2HB   CYS  82          HB3       CYS  82 -14.525  21.916 -12.659
  615    HG   CYS  82           HG       CYS  82 -15.073  23.620 -10.585
  616    H    GLY  83           H        GLY  83 -12.574  24.770 -14.802
  617   1HA   GLY  83          HA1       GLY  83  -9.911  25.569 -14.429
  618   2HA   GLY  83          HA2       GLY  83 -11.200  26.555 -15.143
  619    H    ASP  84           H        ASP  84 -12.922  26.799 -12.876
  620    HA   ASP  84           HA       ASP  84 -11.676  29.014 -11.602
  621   1HB   ASP  84          HB2       ASP  84 -14.117  28.789 -11.941
  622   2HB   ASP  84          HB3       ASP  84 -14.160  27.493 -10.742
  623    H    ALA  85           H        ALA  85 -11.928  25.586 -10.617
  624    HA   ALA  85           HA       ALA  85 -11.211  26.009  -7.889
  625   1HB   ALA  85          HB1       ALA  85 -10.742  23.565  -9.660
  626   2HB   ALA  85          HB2       ALA  85 -10.553  23.606  -7.897
  627   3HB   ALA  85          HB3       ALA  85 -12.148  23.869  -8.612
  628    H    ALA  86           H        ALA  86  -9.304  25.963 -10.858
  629    HA   ALA  86           HA       ALA  86  -6.824  25.297  -9.623
  630   1HB   ALA  86          HB1       ALA  86  -5.841  25.852 -11.731
  631   2HB   ALA  86          HB2       ALA  86  -7.415  25.097 -12.072
  632   3HB   ALA  86          HB3       ALA  86  -7.230  26.862 -12.192
  633    H    ASP  87           H        ASP  87  -8.632  28.265  -9.576
  634    HA   ASP  87           HA       ASP  87  -6.482  30.094  -9.133
  635   1HB   ASP  87          HB2       ASP  87  -8.835  30.761  -9.612
  636   2HB   ASP  87          HB3       ASP  87  -9.322  30.085  -8.046
  637    H    LYS  88           H        LYS  88  -8.111  27.703  -7.105
  638    HA   LYS  88           HA       LYS  88  -7.447  28.978  -4.599
  639   1HB   LYS  88          HB2       LYS  88  -9.456  27.564  -5.013
  640   2HB   LYS  88          HB3       LYS  88  -8.406  26.155  -5.228
  641   1HG   LYS  88          HG2       LYS  88  -9.445  26.102  -3.085
  642   2HG   LYS  88          HG3       LYS  88  -7.707  26.289  -2.889
  643   1HD   LYS  88          HD2       LYS  88  -7.978  28.670  -2.350
  644   2HD   LYS  88          HD3       LYS  88  -9.721  28.583  -2.722
  645   1HE   LYS  88          HE2       LYS  88 -10.022  26.902  -0.942
  646   2HE   LYS  88          HE3       LYS  88  -8.294  26.951  -0.576
  647   1HZ   LYS  88          HZ1       LYS  88 -10.164  29.236  -0.254
  648   2HZ   LYS  88          HZ2       LYS  88  -9.559  28.332   0.958
  649   3HZ   LYS  88          HZ3       LYS  88  -8.565  29.279   0.083
  650    H    CYS  89           H        CYS  89  -5.731  26.602  -6.565
  651    HA   CYS  89           HA       CYS  89  -4.503  25.031  -4.756
  652   1HB   CYS  89          HB2       CYS  89  -2.925  26.129  -7.088
  653   2HB   CYS  89          HB3       CYS  89  -2.838  24.522  -6.332
  654    HG   CYS  89           HG       CYS  89  -5.133  23.677  -7.040
  655    HA   PRO  90           HA       PRO  90  -2.555  28.300  -2.442
  656   1HB   PRO  90          HB2       PRO  90  -1.726  26.941  -0.193
  657   2HB   PRO  90          HB3       PRO  90  -3.392  27.509  -0.544
  658   1HG   PRO  90          HG2       PRO  90  -2.239  24.751  -0.977
  659   2HG   PRO  90          HG3       PRO  90  -3.828  25.202  -0.264
  660   1HD   PRO  90          HD2       PRO  90  -3.630  24.441  -2.860
  661   2HD   PRO  90          HD3       PRO  90  -4.744  25.722  -2.339
  662    H    MET  91           H        MET  91  -0.615  25.330  -2.968
  663    HA   MET  91           HA       MET  91   1.485  26.874  -4.118
  664   1HB   MET  91          HB2       MET  91   2.122  27.293  -1.755
  665   2HB   MET  91          HB3       MET  91   2.058  25.564  -1.408
  666   1HG   MET  91          HG2       MET  91   4.357  26.404  -1.679
  667   2HG   MET  91          HG3       MET  91   3.966  25.150  -2.846
  668   1HE   MET  91          HE1       MET  91   6.544  26.916  -3.114
  669   2HE   MET  91          HE2       MET  91   6.055  25.675  -4.290
  670   3HE   MET  91          HE3       MET  91   6.515  27.298  -4.851
  671    H    THR  92           H        THR  92   2.410  25.537  -5.662
  672    HA   THR  92           HA       THR  92   2.599  22.629  -5.145
  673    HB   THR  92           HB       THR  92   1.900  22.251  -7.557
  674    HG1  THR  92           HG1      THR  92   1.918  24.482  -8.176
  675   1HG2  THR  92          HG21      THR  92  -0.458  22.175  -7.070
  676   2HG2  THR  92          HG22      THR  92   0.472  21.667  -5.649
  677   3HG2  THR  92          HG23      THR  92  -0.265  23.287  -5.700
  678    HA   PRO  93           HA       PRO  93   6.598  24.430  -6.519
  679   1HB   PRO  93          HB2       PRO  93   8.267  22.554  -5.377
  680   2HB   PRO  93          HB3       PRO  93   7.528  23.898  -4.464
  681   1HG   PRO  93          HG2       PRO  93   6.589  21.031  -4.671
  682   2HG   PRO  93          HG3       PRO  93   6.745  22.042  -3.201
  683   1HD   PRO  93          HD2       PRO  93   4.366  21.684  -4.486
  684   2HD   PRO  93          HD3       PRO  93   4.780  23.237  -3.701
  685    HA   PRO  94           HA       PRO  94   7.446  22.161 -10.205
  686   1HB   PRO  94          HB2       PRO  94  10.284  21.720  -9.248
  687   2HB   PRO  94          HB3       PRO  94   9.714  22.235 -10.871
  688   1HG   PRO  94          HG2       PRO  94  10.639  24.083  -9.128
  689   2HG   PRO  94          HG3       PRO  94   9.134  24.413 -10.048
  690   1HD   PRO  94          HD2       PRO  94   9.428  23.488  -7.190
  691   2HD   PRO  94          HD3       PRO  94   8.312  24.703  -7.879
  692    H    HIS  95           H        HIS  95   8.479  20.477  -7.251
  693    HA   HIS  95           HA       HIS  95   8.750  17.856  -8.355
  694   1HB   HIS  95          HB2       HIS  95   7.930  18.667  -5.537
  695   2HB   HIS  95          HB3       HIS  95   8.631  17.129  -6.030
  696    HD1  HIS  95           HD1      HIS  95   9.761  20.078  -4.322
  697    HD2  HIS  95           HD2      HIS  95  11.217  17.720  -7.496
  698    HE1  HIS  95           HE1      HIS  95  12.252  20.563  -4.489
  699    H    VAL  96           H        VAL  96   5.963  19.768  -8.165
  700    HA   VAL  96           HA       VAL  96   4.067  17.476  -8.064
  701    HB   VAL  96           HB       VAL  96   3.738  20.266  -6.851
  702   1HG1  VAL  96          HG11      VAL  96   2.032  17.766  -6.611
  703   2HG1  VAL  96          HG12      VAL  96   1.739  19.331  -5.821
  704   3HG1  VAL  96          HG13      VAL  96   1.660  19.206  -7.582
  705   1HG2  VAL  96          HG21      VAL  96   4.472  17.697  -5.423
  706   2HG2  VAL  96          HG22      VAL  96   5.381  19.213  -5.469
  707   3HG2  VAL  96          HG23      VAL  96   3.832  19.148  -4.626
  708    H    LYS  97           H        LYS  97   3.612  17.416 -10.352
  709    HA   LYS  97           HA       LYS  97   3.402  19.984 -11.757
  710   1HB   LYS  97          HB2       LYS  97   3.004  18.922 -13.743
  711   2HB   LYS  97          HB3       LYS  97   4.307  18.049 -12.988
  712   1HG   LYS  97          HG2       LYS  97   1.533  16.916 -12.645
  713   2HG   LYS  97          HG3       LYS  97   2.187  16.951 -14.273
  714   1HD   LYS  97          HD2       LYS  97   4.234  15.754 -13.472
  715   2HD   LYS  97          HD3       LYS  97   3.457  15.559 -11.889
  716   1HE   LYS  97          HE2       LYS  97   1.586  14.321 -12.953
  717   2HE   LYS  97          HE3       LYS  97   2.276  14.608 -14.554
  718   1HZ   LYS  97          HZ1       LYS  97   3.439  12.952 -12.374
  719   2HZ   LYS  97          HZ2       LYS  97   2.843  12.415 -13.798
  720   3HZ   LYS  97          HZ3       LYS  97   4.225  13.281 -13.786
  721    H    ARG  98           H        ARG  98   1.343  20.436 -12.987
  722    HA   ARG  98           HA       ARG  98  -1.046  19.942 -11.297
  723   1HB   ARG  98          HB2       ARG  98   0.133  21.813 -10.301
  724   2HB   ARG  98          HB3       ARG  98   0.254  22.637 -11.857
  725   1HG   ARG  98          HG2       ARG  98  -2.087  23.095 -11.907
  726   2HG   ARG  98          HG3       ARG  98  -2.425  22.019 -10.534
  727   1HD   ARG  98          HD2       ARG  98  -1.449  23.459  -8.964
  728   2HD   ARG  98          HD3       ARG  98  -0.437  24.266 -10.143
  729    HE   ARG  98           HE       ARG  98  -3.253  24.840  -9.493
  730   1HH1  ARG  98          HH21      ARG  98  -0.501  25.567 -11.626
  731   2HH1  ARG  98          HH22      ARG  98  -1.050  27.146 -12.036
  732   1HH2  ARG  98          HH11      ARG  98  -3.969  27.013 -10.017
  733   2HH2  ARG  98          HH12      ARG  98  -3.047  27.955 -11.122
  734    H    GLU  99           H        GLU  99  -2.804  19.687 -12.559
  735    HA   GLU  99           HA       GLU  99  -2.626  20.377 -15.449
  736   1HB   GLU  99          HB2       GLU  99  -2.013  18.000 -14.917
  737   2HB   GLU  99          HB3       GLU  99  -3.588  17.782 -14.149
  738   1HG   GLU  99          HG2       GLU  99  -3.452  16.817 -16.406
  739   2HG   GLU  99          HG3       GLU  99  -4.734  18.018 -16.250
  740    H    HIS 100           H        HIS 100  -4.821  20.478 -16.482
  741    HA   HIS 100           HA       HIS 100  -6.897  21.391 -14.545
  742   1HB   HIS 100          HB2       HIS 100  -6.040  22.982 -16.987
  743   2HB   HIS 100          HB3       HIS 100  -7.151  23.475 -15.720
  744    HD1  HIS 100           HD1      HIS 100  -5.464  23.246 -13.132
  745    HD2  HIS 100           HD2      HIS 100  -3.985  24.507 -16.870
  746    HE1  HIS 100           HE1      HIS 100  -3.441  24.720 -12.655
  747    H    TRP 101           H        TRP 101  -8.987  21.131 -15.211
  748    HA   TRP 101           HA       TRP 101  -9.622  20.663 -18.054
  749   1HB   TRP 101          HB2       TRP 101 -10.765  18.944 -15.855
  750   2HB   TRP 101          HB3       TRP 101 -10.937  18.764 -17.606
  751    HD1  TRP 101           HD1      TRP 101  -8.786  17.842 -14.709
  752    HE1  TRP 101           HE1      TRP 101  -6.734  16.491 -15.393
  753    HE3  TRP 101           HE3      TRP 101  -9.012  18.498 -19.784
  754    HZ2  TRP 101           HZ2      TRP 101  -5.524  15.528 -17.826
  755    HZ3  TRP 101           HZ3      TRP 101  -7.395  17.331 -21.261
  756    HH2  TRP 101           HH2      TRP 101  -5.675  15.805 -20.288
  757    H    GLY 102           H        GLY 102 -12.411  20.451 -17.767
  758   1HA   GLY 102          HA1       GLY 102 -13.156  23.008 -16.394
  759   2HA   GLY 102          HA2       GLY 102 -13.372  22.793 -18.125
  760    H    PHE 103           H        PHE 103 -14.006  20.515 -15.362
  761    HA   PHE 103           HA       PHE 103 -16.482  19.740 -16.659
  762   1HB   PHE 103          HB2       PHE 103 -15.072  18.811 -14.138
  763   2HB   PHE 103          HB3       PHE 103 -16.631  18.198 -14.651
  764    HD1  PHE 103           HD1      PHE 103 -13.046  18.463 -15.739
  765    HD2  PHE 103           HD2      PHE 103 -16.859  16.560 -16.352
  766    HE1  PHE 103           HE1      PHE 103 -11.967  16.838 -17.235
  767    HE2  PHE 103           HE2      PHE 103 -15.773  14.877 -17.781
  768    HZ   PHE 103           HZ       PHE 103 -13.331  15.016 -18.269
  769    H    ASP 104           H        ASP 104 -18.417  20.547 -16.327
  770    HA   ASP 104           HA       ASP 104 -19.052  22.309 -14.056
  771   1HB   ASP 104          HB2       ASP 104 -19.999  22.746 -16.317
  772   2HB   ASP 104          HB3       ASP 104 -20.777  21.156 -16.280
  773    H    ASP 105           H        ASP 105 -20.832  21.683 -12.542
  774    HA   ASP 105           HA       ASP 105 -20.158  19.018 -11.621
  775   1HB   ASP 105          HB2       ASP 105 -20.397  21.066 -10.142
  776   2HB   ASP 105          HB3       ASP 105 -22.144  20.869 -10.309
  777    HA   PRO 106           HA       PRO 106 -23.673  17.210 -13.566
  778   1HB   PRO 106          HB2       PRO 106 -23.615  14.651 -12.492
  779   2HB   PRO 106          HB3       PRO 106 -22.506  15.243 -13.762
  780   1HG   PRO 106          HG2       PRO 106 -22.055  15.073 -10.779
  781   2HG   PRO 106          HG3       PRO 106 -20.938  14.596 -12.097
  782   1HD   PRO 106          HD2       PRO 106 -20.721  16.980 -10.800
  783   2HD   PRO 106          HD3       PRO 106 -20.370  16.847 -12.546
  784    H    ALA 107           H        ALA 107 -23.527  17.126  -9.990
  785    HA   ALA 107           HA       ALA 107 -26.228  16.209  -9.683
  786   1HB   ALA 107          HB1       ALA 107 -25.990  16.967  -7.340
  787   2HB   ALA 107          HB2       ALA 107 -24.607  16.001  -7.874
  788   3HB   ALA 107          HB3       ALA 107 -24.458  17.762  -7.750
  789    H    ARG 108           H        ARG 108 -24.883  19.287 -10.522
  790    HA   ARG 108           HA       ARG 108 -27.347  20.759  -9.744
  791   1HB   ARG 108          HB2       ARG 108 -24.549  21.729 -10.504
  792   2HB   ARG 108          HB3       ARG 108 -25.939  22.773 -10.237
  793   1HG   ARG 108          HG2       ARG 108 -24.936  22.897  -8.199
  794   2HG   ARG 108          HG3       ARG 108 -26.155  21.650  -7.921
  795   1HD   ARG 108          HD2       ARG 108 -24.356  19.910  -8.201
  796   2HD   ARG 108          HD3       ARG 108 -23.180  21.212  -8.430
  797    HE   ARG 108           HE       ARG 108 -24.453  21.722  -5.999
  798   1HH1  ARG 108          HH11      ARG 108 -22.392  19.101  -7.340
  799   2HH1  ARG 108          HH12      ARG 108 -21.618  18.800  -5.812
  800   1HH2  ARG 108          HH21      ARG 108 -23.405  21.197  -3.981
  801   2HH2  ARG 108          HH22      ARG 108 -22.209  19.943  -3.943
  802    H    ALA 109           H        ALA 109 -26.309  19.023 -12.393
  803    HA   ALA 109           HA       ALA 109 -27.030  20.750 -14.523
  804   1HB   ALA 109          HB1       ALA 109 -27.258  17.710 -14.270
  805   2HB   ALA 109          HB2       ALA 109 -27.314  18.632 -15.783
  806   3HB   ALA 109          HB3       ALA 109 -25.812  18.589 -14.828
  807    H    GLN 110           H        GLN 110 -29.088  20.708 -15.671
  808    HA   GLN 110           HA       GLN 110 -31.464  19.720 -14.318
  809   1HB   GLN 110          HB2       GLN 110 -32.396  21.960 -13.805
  810   2HB   GLN 110          HB3       GLN 110 -30.971  21.572 -12.861
  811   1HG   GLN 110          HG2       GLN 110 -29.645  22.957 -14.662
  812   2HG   GLN 110          HG3       GLN 110 -31.237  23.556 -15.134
  813   1HE2  GLN 110          HE22      GLN 110 -28.983  23.180 -12.328
  814   2HE2  GLN 110          HE21      GLN 110 -29.564  24.586 -11.463
  815    H    GLY 111           H        GLY 111 -33.444  20.460 -15.443
  816   1HA   GLY 111          HA1       GLY 111 -34.031  21.773 -17.647
  817   2HA   GLY 111          HA2       GLY 111 -33.079  20.454 -18.373
  818    H    THR 112           H        THR 112 -33.634  18.292 -16.876
  819    HA   THR 112           HA       THR 112 -36.226  17.936 -15.904
  820    HB   THR 112           HB       THR 112 -37.030  17.884 -18.164
  821    HG1  THR 112           HG1      THR 112 -37.966  15.943 -18.143
  822   1HG2  THR 112          HG21      THR 112 -34.843  15.875 -18.801
  823   2HG2  THR 112          HG22      THR 112 -36.221  16.246 -19.857
  824   3HG2  THR 112          HG23      THR 112 -35.040  17.504 -19.483
  825    H    GLU 113           H        GLU 113 -36.373  15.487 -15.273
  826    HA   GLU 113           HA       GLU 113 -34.036  14.925 -13.757
  827   1HB   GLU 113          HB2       GLU 113 -36.249  14.201 -13.061
  828   2HB   GLU 113          HB3       GLU 113 -36.429  13.191 -14.505
  829   1HG   GLU 113          HG2       GLU 113 -34.622  11.723 -13.777
  830   2HG   GLU 113          HG3       GLU 113 -34.256  12.778 -12.406
  831    H    GLU 114           H        GLU 114 -35.198  13.623 -16.861
  832    HA   GLU 114           HA       GLU 114 -33.091  11.696 -17.053
  833   1HB   GLU 114          HB2       GLU 114 -33.832  11.311 -19.330
  834   2HB   GLU 114          HB3       GLU 114 -35.194  11.351 -18.211
  835   1HG   GLU 114          HG2       GLU 114 -35.737  13.657 -18.938
  836   2HG   GLU 114          HG3       GLU 114 -34.361  13.639 -20.050
  837    H    GLU 115           H        GLU 115 -33.274  15.119 -17.878
  838    HA   GLU 115           HA       GLU 115 -30.954  15.092 -19.593
  839   1HB   GLU 115          HB2       GLU 115 -32.743  16.838 -19.716
  840   2HB   GLU 115          HB3       GLU 115 -32.263  17.410 -18.117
  841   1HG   GLU 115          HG2       GLU 115 -31.286  18.875 -19.701
  842   2HG   GLU 115          HG3       GLU 115 -29.971  17.913 -19.047
  843    H    LYS 116           H        LYS 116 -31.690  15.891 -16.172
  844    HA   LYS 116           HA       LYS 116 -29.055  16.459 -15.322
  845   1HB   LYS 116          HB2       LYS 116 -30.898  17.081 -13.947
  846   2HB   LYS 116          HB3       LYS 116 -31.548  15.437 -13.927
  847   1HG   LYS 116          HG2       LYS 116 -29.716  14.640 -12.605
  848   2HG   LYS 116          HG3       LYS 116 -28.895  16.213 -12.655
  849   1HD   LYS 116          HD2       LYS 116 -31.691  15.950 -11.509
  850   2HD   LYS 116          HD3       LYS 116 -30.280  15.433 -10.562
  851   1HE   LYS 116          HE2       LYS 116 -29.283  17.737 -10.939
  852   2HE   LYS 116          HE3       LYS 116 -30.839  18.214 -11.630
  853   1HZ   LYS 116          HZ1       LYS 116 -30.701  18.792  -9.306
  854   2HZ   LYS 116          HZ2       LYS 116 -31.872  17.670  -9.490
  855   3HZ   LYS 116          HZ3       LYS 116 -30.414  17.256  -8.859
  856    H    TRP 117           H        TRP 117 -30.817  13.321 -15.354
  857    HA   TRP 117           HA       TRP 117 -28.631  11.800 -14.370
  858   1HB   TRP 117          HB2       TRP 117 -30.933  10.922 -14.472
  859   2HB   TRP 117          HB3       TRP 117 -30.858  10.893 -16.234
  860    HD1  TRP 117           HD1      TRP 117 -29.317   9.002 -17.367
  861    HE1  TRP 117           HE1      TRP 117 -28.356   6.774 -16.526
  862    HE3  TRP 117           HE3      TRP 117 -30.037   9.634 -12.336
  863    HZ2  TRP 117           HZ2      TRP 117 -27.754   5.532 -14.017
  864    HZ3  TRP 117           HZ3      TRP 117 -29.218   7.926 -10.739
  865    HH2  TRP 117           HH2      TRP 117 -28.074   5.873 -11.567
  866    H    ALA 118           H        ALA 118 -29.568  12.595 -17.778
  867    HA   ALA 118           HA       ALA 118 -27.510  11.116 -19.015
  868   1HB   ALA 118          HB1       ALA 118 -28.787  13.741 -19.907
  869   2HB   ALA 118          HB2       ALA 118 -27.839  12.643 -20.931
  870   3HB   ALA 118          HB3       ALA 118 -29.391  12.108 -20.254
  871    H    PHE 119           H        PHE 119 -27.463  14.450 -17.652
  872    HA   PHE 119           HA       PHE 119 -24.814  15.048 -18.424
  873   1HB   PHE 119          HB2       PHE 119 -26.756  16.502 -17.348
  874   2HB   PHE 119          HB3       PHE 119 -25.952  16.090 -15.844
  875    HD1  PHE 119           HD1      PHE 119 -23.425  16.694 -15.637
  876    HD2  PHE 119           HD2      PHE 119 -25.964  18.206 -18.775
  877    HE1  PHE 119           HE1      PHE 119 -21.869  18.601 -15.973
  878    HE2  PHE 119           HE2      PHE 119 -24.379  20.076 -19.151
  879    HZ   PHE 119           HZ       PHE 119 -22.336  20.281 -17.754
  880    H    PHE 120           H        PHE 120 -26.064  13.260 -15.532
  881    HA   PHE 120           HA       PHE 120 -23.591  12.950 -14.173
  882   1HB   PHE 120          HB2       PHE 120 -25.605  10.703 -14.439
  883   2HB   PHE 120          HB3       PHE 120 -24.400  10.936 -13.214
  884    HD1  PHE 120           HD1      PHE 120 -25.624  14.161 -13.181
  885    HD2  PHE 120           HD2      PHE 120 -26.964  10.119 -12.452
  886    HE1  PHE 120           HE1      PHE 120 -27.271  14.990 -11.559
  887    HE2  PHE 120           HE2      PHE 120 -28.685  10.984 -10.897
  888    HZ   PHE 120           HZ       PHE 120 -28.831  13.418 -10.426
  889    H    GLN 121           H        GLN 121 -25.119  10.991 -16.792
  890    HA   GLN 121           HA       GLN 121 -23.047   9.070 -16.968
  891   1HB   GLN 121          HB2       GLN 121 -24.921   9.877 -19.217
  892   2HB   GLN 121          HB3       GLN 121 -23.995   8.389 -19.080
  893   1HG   GLN 121          HG2       GLN 121 -26.386   9.235 -17.420
  894   2HG   GLN 121          HG3       GLN 121 -26.262   7.883 -18.520
  895   1HE2  GLN 121          HE22      GLN 121 -26.099   8.759 -15.232
  896   2HE2  GLN 121          HE21      GLN 121 -25.295   7.320 -14.638
  897    H    ARG 122           H        ARG 122 -23.544  12.079 -18.831
  898    HA   ARG 122           HA       ARG 122 -21.267  11.785 -20.522
  899   1HB   ARG 122          HB2       ARG 122 -22.898  14.183 -19.612
  900   2HB   ARG 122          HB3       ARG 122 -21.355  14.436 -20.413
  901   1HG   ARG 122          HG2       ARG 122 -22.944  14.569 -22.118
  902   2HG   ARG 122          HG3       ARG 122 -22.117  13.025 -22.333
  903   1HD   ARG 122          HD2       ARG 122 -24.087  11.898 -21.196
  904   2HD   ARG 122          HD3       ARG 122 -24.864  13.482 -21.103
  905    HE   ARG 122           HE       ARG 122 -25.308  13.468 -23.358
  906   1HH1  ARG 122          HH21      ARG 122 -23.289  10.644 -22.596
  907   2HH1  ARG 122          HH22      ARG 122 -23.563   9.865 -24.108
  908   1HH2  ARG 122          HH11      ARG 122 -25.669  12.430 -25.371
  909   2HH2  ARG 122          HH12      ARG 122 -24.945  10.906 -25.719
  910    H    VAL 123           H        VAL 123 -21.560  13.491 -17.335
  911    HA   VAL 123           HA       VAL 123 -18.828  14.280 -17.376
  912    HB   VAL 123           HB       VAL 123 -20.826  13.981 -15.099
  913   1HG1  VAL 123          HG11      VAL 123 -18.648  13.758 -14.040
  914   2HG1  VAL 123          HG12      VAL 123 -17.990  15.104 -14.988
  915   3HG1  VAL 123          HG13      VAL 123 -19.229  15.397 -13.756
  916   1HG2  VAL 123          HG21      VAL 123 -19.631  16.428 -16.503
  917   2HG2  VAL 123          HG22      VAL 123 -21.253  15.779 -16.796
  918   3HG2  VAL 123          HG23      VAL 123 -20.843  16.454 -15.213
  919    H    ARG 124           H        ARG 124 -20.325  11.300 -15.814
  920    HA   ARG 124           HA       ARG 124 -17.785  10.514 -14.841
  921   1HB   ARG 124          HB2       ARG 124 -18.675   8.263 -14.540
  922   2HB   ARG 124          HB3       ARG 124 -19.845   9.457 -13.983
  923   1HG   ARG 124          HG2       ARG 124 -21.221   9.099 -15.926
  924   2HG   ARG 124          HG3       ARG 124 -19.993   8.122 -16.719
  925   1HD   ARG 124          HD2       ARG 124 -20.224   6.435 -14.859
  926   2HD   ARG 124          HD3       ARG 124 -21.605   7.361 -14.283
  927    HE   ARG 124           HE       ARG 124 -22.897   6.487 -15.952
  928   1HH1  ARG 124          HH21      ARG 124 -19.532   5.959 -17.042
  929   2HH1  ARG 124          HH22      ARG 124 -20.019   5.044 -18.419
  930   1HH2  ARG 124          HH11      ARG 124 -23.483   5.405 -17.755
  931   2HH2  ARG 124          HH12      ARG 124 -22.322   4.680 -18.831
  932    H    ASP 125           H        ASP 125 -19.316   9.853 -17.998
  933    HA   ASP 125           HA       ASP 125 -17.361   8.022 -18.915
  934   1HB   ASP 125          HB2       ASP 125 -19.499   8.310 -20.055
  935   2HB   ASP 125          HB3       ASP 125 -19.091   9.977 -20.479
  936    H    GLU 126           H        GLU 126 -17.507  11.617 -19.129
  937    HA   GLU 126           HA       GLU 126 -15.072  11.748 -20.601
  938   1HB   GLU 126          HB2       GLU 126 -16.921  13.768 -19.349
  939   2HB   GLU 126          HB3       GLU 126 -15.345  14.269 -19.963
  940   1HG   GLU 126          HG2       GLU 126 -17.462  12.812 -21.586
  941   2HG   GLU 126          HG3       GLU 126 -17.148  14.548 -21.628
  942    H    ILE 127           H        ILE 127 -15.791  11.972 -17.099
  943    HA   ILE 127           HA       ILE 127 -13.128  12.794 -16.393
  944    HB   ILE 127           HB       ILE 127 -15.520  12.415 -14.993
  945   1HG1  ILE 127          HG12      ILE 127 -14.178  12.932 -12.903
  946   2HG1  ILE 127          HG13      ILE 127 -12.723  12.906 -13.912
  947   1HG2  ILE 127          HG21      ILE 127 -15.150  10.938 -13.161
  948   2HG2  ILE 127          HG22      ILE 127 -15.195  10.075 -14.694
  949   3HG2  ILE 127          HG23      ILE 127 -13.630  10.362 -13.879
  950   1HD1  ILE 127          HD11      ILE 127 -13.783  15.180 -13.487
  951   2HD1  ILE 127          HD12      ILE 127 -13.571  14.769 -15.199
  952   3HD1  ILE 127          HD13      ILE 127 -15.181  14.636 -14.439
  953    H    GLY 128           H        GLY 128 -14.711   9.612 -16.895
  954   1HA   GLY 128          HA1       GLY 128 -12.512   7.977 -16.191
  955   2HA   GLY 128          HA2       GLY 128 -13.873   7.534 -17.247
  956    H    ASN 129           H        ASN 129 -13.629   9.179 -19.395
  957    HA   ASN 129           HA       ASN 129 -11.539   8.271 -21.043
  958   1HB   ASN 129          HB2       ASN 129 -13.559   9.288 -21.934
  959   2HB   ASN 129          HB3       ASN 129 -13.226  10.784 -21.065
  960   1HD2  ASN 129          HD22      ASN 129 -13.088  12.250 -22.744
  961   2HD2  ASN 129          HD21      ASN 129 -11.848  12.132 -23.978
  962    H    ARG 130           H        ARG 130 -11.679  11.253 -19.044
  963    HA   ARG 130           HA       ARG 130  -9.148  12.212 -19.899
  964   1HB   ARG 130          HB2       ARG 130 -11.185  13.099 -18.081
  965   2HB   ARG 130          HB3       ARG 130  -9.751  12.940 -17.104
  966   1HG   ARG 130          HG2       ARG 130  -9.992  15.201 -17.999
  967   2HG   ARG 130          HG3       ARG 130  -8.515  14.429 -18.561
  968   1HD   ARG 130          HD2       ARG 130  -9.542  15.673 -20.395
  969   2HD   ARG 130          HD3       ARG 130  -9.540  13.981 -20.776
  970    HE   ARG 130           HE       ARG 130 -11.895  13.839 -20.399
  971   1HH1  ARG 130          HH11      ARG 130 -10.740  17.165 -20.079
  972   2HH1  ARG 130          HH12      ARG 130 -12.177  17.887 -20.716
  973   1HH2  ARG 130          HH22      ARG 130 -13.709  14.771 -21.482
  974   2HH2  ARG 130          HH21      ARG 130 -13.943  16.489 -21.426
  975    H    LEU 131           H        LEU 131  -9.985  10.180 -17.056
  976    HA   LEU 131           HA       LEU 131  -7.242  10.003 -16.238
  977   1HB   LEU 131          HB2       LEU 131  -9.767   8.590 -15.479
  978   2HB   LEU 131          HB3       LEU 131  -8.256   7.755 -15.144
  979    HG   LEU 131           HG       LEU 131  -9.006   9.041 -13.256
  980   1HD1  LEU 131          HD11      LEU 131  -6.397  10.209 -14.327
  981   2HD1  LEU 131          HD12      LEU 131  -6.865  10.006 -12.647
  982   3HD1  LEU 131          HD13      LEU 131  -6.571   8.579 -13.643
  983   1HD2  LEU 131          HD21      LEU 131 -10.080  10.947 -14.396
  984   2HD2  LEU 131          HD22      LEU 131  -8.955  11.458 -13.135
  985   3HD2  LEU 131          HD23      LEU 131  -8.479  11.582 -14.838
  986    H    LYS 132           H        LYS 132  -9.206   7.983 -18.427
  987    HA   LYS 132           HA       LYS 132  -7.269   5.981 -18.887
  988   1HB   LYS 132          HB2       LYS 132  -9.409   5.503 -19.597
  989   2HB   LYS 132          HB3       LYS 132  -9.669   7.051 -20.348
  990   1HG   LYS 132          HG2       LYS 132  -7.573   5.331 -21.642
  991   2HG   LYS 132          HG3       LYS 132  -9.240   4.744 -21.696
  992   1HD   LYS 132          HD2       LYS 132 -10.004   6.910 -22.651
  993   2HD   LYS 132          HD3       LYS 132  -8.351   7.512 -22.594
  994   1HE   LYS 132          HE2       LYS 132  -8.879   6.872 -24.830
  995   2HE   LYS 132          HE3       LYS 132  -7.628   5.792 -24.198
  996   1HZ   LYS 132          HZ1       LYS 132 -10.516   5.130 -24.424
  997   2HZ   LYS 132          HZ2       LYS 132  -9.346   4.596 -25.420
  998   3HZ   LYS 132          HZ3       LYS 132  -9.359   4.110 -23.867
  999    H    GLU 133           H        GLU 133  -7.744   9.108 -20.640
 1000    HA   GLU 133           HA       GLU 133  -5.483   8.657 -22.367
 1001   1HB   GLU 133          HB2       GLU 133  -6.838  11.225 -21.440
 1002   2HB   GLU 133          HB3       GLU 133  -5.509  11.169 -22.612
 1003   1HG   GLU 133          HG2       GLU 133  -6.859   9.703 -24.089
 1004   2HG   GLU 133          HG3       GLU 133  -8.227   9.844 -22.986
 1005    H    PHE 134           H        PHE 134  -5.777  10.410 -19.217
 1006    HA   PHE 134           HA       PHE 134  -3.091  11.226 -19.096
 1007   1HB   PHE 134          HB2       PHE 134  -4.671  12.113 -17.593
 1008   2HB   PHE 134          HB3       PHE 134  -5.163  10.515 -17.024
 1009    HD1  PHE 134           HD1      PHE 134  -4.069   9.412 -15.229
 1010    HD2  PHE 134           HD2      PHE 134  -2.399  13.010 -16.906
 1011    HE1  PHE 134           HE1      PHE 134  -2.424   9.515 -13.360
 1012    HE2  PHE 134           HE2      PHE 134  -0.747  13.102 -15.076
 1013    HZ   PHE 134           HZ       PHE 134  -0.786  11.396 -13.269
 1014    H    ALA 135           H        ALA 135  -4.528   8.072 -18.302
 1015    HA   ALA 135           HA       ALA 135  -2.106   6.964 -17.224
 1016   1HB   ALA 135          HB1       ALA 135  -4.347   6.108 -16.627
 1017   2HB   ALA 135          HB2       ALA 135  -4.589   5.558 -18.297
 1018   3HB   ALA 135          HB3       ALA 135  -3.318   4.828 -17.298
 1019    H    GLU 136           H        GLU 136  -3.773   6.659 -20.366
 1020    HA   GLU 136           HA       GLU 136  -1.928   4.800 -21.486
 1021   1HB   GLU 136          HB2       GLU 136  -4.084   6.575 -22.677
 1022   2HB   GLU 136          HB3       GLU 136  -3.118   5.490 -23.668
 1023   1HG   GLU 136          HG2       GLU 136  -4.784   4.536 -21.298
 1024   2HG   GLU 136          HG3       GLU 136  -5.354   4.574 -22.962
 1025    H    THR 137           H        THR 137  -2.196   8.332 -21.736
 1026    HA   THR 137           HA       THR 137  -0.027   8.432 -23.620
 1027    HB   THR 137           HB       THR 137  -0.509  10.755 -23.805
 1028    HG1  THR 137           HG1      THR 137  -2.428  10.402 -21.764
 1029   1HG2  THR 137          HG21      THR 137  -1.946   9.143 -25.019
 1030   2HG2  THR 137          HG22      THR 137  -3.092   9.134 -23.672
 1031   3HG2  THR 137          HG23      THR 137  -2.825  10.628 -24.597
 1032    H    GLY 138           H        GLY 138  -0.382   8.489 -20.195
 1033   1HA   GLY 138          HA1       GLY 138   0.953   8.958 -18.437
 1034   2HA   GLY 138          HA2       GLY 138   2.366   8.820 -19.513
 1035    H    LYS 139           H        LYS 139  -0.437  11.014 -19.649
 1036    HA   LYS 139           HA       LYS 139   0.884  13.157 -20.691
 1037   1HB   LYS 139          HB2       LYS 139  -1.635  12.659 -20.363
 1038   2HB   LYS 139          HB3       LYS 139  -1.495  13.543 -18.847
 1039   1HG   LYS 139          HG2       LYS 139  -0.762  15.543 -19.984
 1040   2HG   LYS 139          HG3       LYS 139  -0.599  14.692 -21.522
 1041   1HD   LYS 139          HD2       LYS 139  -3.182  15.305 -20.038
 1042   2HD   LYS 139          HD3       LYS 139  -2.624  16.044 -21.532
 1043   1HE   LYS 139          HE2       LYS 139  -3.616  13.187 -21.129
 1044   2HE   LYS 139          HE3       LYS 139  -4.377  14.482 -22.055
 1045   1HZ   LYS 139          HZ1       LYS 139  -1.977  12.922 -22.752
 1046   2HZ   LYS 139          HZ2       LYS 139  -3.349  13.093 -23.598
 1047   3HZ   LYS 139          HZ3       LYS 139  -2.318  14.355 -23.514
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1   0.903  -1.090  -3.698
    2   2H    MET   1           H2       MET   1   2.541  -0.964  -3.680
    3   3H    MET   1           H3       MET   1   1.800  -2.185  -2.868
    4    HA   MET   1           HA       MET   1   0.730  -0.647  -1.398
    5   1HB   MET   1          HB2       MET   1   2.895  -1.653  -0.733
    6   2HB   MET   1          HB3       MET   1   3.753  -0.270  -1.414
    7   1HG   MET   1          HG2       MET   1   2.539   1.225   0.195
    8   2HG   MET   1          HG3       MET   1   1.684  -0.180   0.822
    9   1HE   MET   1          HE1       MET   1   5.577   0.397  -0.089
   10   2HE   MET   1          HE2       MET   1   4.991   1.872   0.717
   11   3HE   MET   1          HE3       MET   1   6.159   0.814   1.533
   12    H    GLU   2           H        GLU   2   3.465   1.490  -2.485
   13    HA   GLU   2           HA       GLU   2   1.699   3.288  -3.862
   14   1HB   GLU   2          HB2       GLU   2   1.970   5.215  -2.427
   15   2HB   GLU   2          HB3       GLU   2   1.206   3.929  -1.502
   16   1HG   GLU   2          HG2       GLU   2   3.415   3.379  -0.457
   17   2HG   GLU   2          HG3       GLU   2   4.135   4.738  -1.322
   18    H    ASN   3           H        ASN   3   2.966   5.099  -4.721
   19    HA   ASN   3           HA       ASN   3   5.890   5.078  -4.571
   20   1HB   ASN   3          HB2       ASN   3   5.703   3.357  -6.211
   21   2HB   ASN   3          HB3       ASN   3   4.325   4.122  -6.986
   22   1HD2  ASN   3          HD22      ASN   3   4.639   5.541  -8.659
   23   2HD2  ASN   3          HD21      ASN   3   6.218   6.049  -9.221
   24    H    LYS   4           H        LYS   4   2.883   6.349  -5.994
   25    HA   LYS   4           HA       LYS   4   3.985   9.096  -5.933
   26   1HB   LYS   4          HB2       LYS   4   3.161   9.531  -8.224
   27   2HB   LYS   4          HB3       LYS   4   4.440   8.324  -8.186
   28   1HG   LYS   4          HG2       LYS   4   2.558   6.546  -8.256
   29   2HG   LYS   4          HG3       LYS   4   1.466   7.872  -8.639
   30   1HD   LYS   4          HD2       LYS   4   3.951   7.071 -10.230
   31   2HD   LYS   4          HD3       LYS   4   2.303   6.568 -10.607
   32   1HE   LYS   4          HE2       LYS   4   1.638   8.916 -10.942
   33   2HE   LYS   4          HE3       LYS   4   3.266   9.465 -10.517
   34   1HZ   LYS   4          HZ1       LYS   4   2.611   7.757 -12.853
   35   2HZ   LYS   4          HZ2       LYS   4   2.955   9.349 -12.915
   36   3HZ   LYS   4          HZ3       LYS   4   4.109   8.291 -12.465
   37    H    ILE   5           H        ILE   5   2.034  10.677  -6.420
   38    HA   ILE   5           HA       ILE   5  -0.437   9.635  -5.159
   39    HB   ILE   5           HB       ILE   5   1.326  11.895  -4.122
   40   1HG1  ILE   5          HG12      ILE   5   0.080   9.514  -2.686
   41   2HG1  ILE   5          HG13      ILE   5   1.742   9.582  -3.282
   42   1HG2  ILE   5          HG21      ILE   5  -0.513  12.515  -2.550
   43   2HG2  ILE   5          HG22      ILE   5  -0.999  12.791  -4.200
   44   3HG2  ILE   5          HG23      ILE   5  -1.584  11.344  -3.362
   45   1HD1  ILE   5          HD11      ILE   5   2.147  11.592  -1.853
   46   2HD1  ILE   5          HD12      ILE   5   0.566  11.302  -1.079
   47   3HD1  ILE   5          HD13      ILE   5   1.841  10.081  -0.968
   48    H    ILE   6           H        ILE   6  -2.307  10.780  -5.734
   49    HA   ILE   6           HA       ILE   6  -1.988  13.134  -7.451
   50    HB   ILE   6           HB       ILE   6  -2.232  11.418  -9.061
   51   1HG1  ILE   6          HG12      ILE   6  -4.887  12.870  -8.722
   52   2HG1  ILE   6          HG13      ILE   6  -3.426  13.494  -9.499
   53   1HG2  ILE   6          HG21      ILE   6  -4.719  10.470  -7.611
   54   2HG2  ILE   6          HG22      ILE   6  -4.068   9.791  -9.108
   55   3HG2  ILE   6          HG23      ILE   6  -3.160   9.617  -7.618
   56   1HD1  ILE   6          HD11      ILE   6  -5.263  11.276 -10.454
   57   2HD1  ILE   6          HD12      ILE   6  -4.900  12.818 -11.238
   58   3HD1  ILE   6          HD13      ILE   6  -3.654  11.550 -11.163
   59    H    TYR   7           H        TYR   7  -3.584  14.668  -7.138
   60    HA   TYR   7           HA       TYR   7  -5.613  14.087  -5.049
   61   1HB   TYR   7          HB2       TYR   7  -3.421  15.084  -4.209
   62   2HB   TYR   7          HB3       TYR   7  -3.793  16.526  -5.136
   63    HD1  TYR   7           HD1      TYR   7  -4.019  18.141  -3.445
   64    HD2  TYR   7           HD2      TYR   7  -6.086  14.379  -3.002
   65    HE1  TYR   7           HE1      TYR   7  -4.976  18.914  -1.298
   66    HE2  TYR   7           HE2      TYR   7  -7.088  15.168  -0.895
   67    HH   TYR   7           HH       TYR   7  -7.159  16.876   0.683
   68    H    PHE   8           H        PHE   8  -7.502  14.311  -6.124
   69    HA   PHE   8           HA       PHE   8  -7.897  16.217  -8.270
   70   1HB   PHE   8          HB2       PHE   8  -9.830  14.546  -6.591
   71   2HB   PHE   8          HB3       PHE   8 -10.291  15.517  -7.977
   72    HD1  PHE   8           HD1      PHE   8  -9.368  12.229  -6.986
   73    HD2  PHE   8           HD2      PHE   8  -8.829  15.101 -10.141
   74    HE1  PHE   8           HE1      PHE   8  -8.629  10.428  -8.529
   75    HE2  PHE   8           HE2      PHE   8  -8.044  13.303 -11.665
   76    HZ   PHE   8           HZ       PHE   8  -7.912  10.961 -10.829
   77    H    LEU   9           H        LEU   9  -8.903  18.162  -8.193
   78    HA   LEU   9           HA       LEU   9  -9.880  19.264  -5.601
   79   1HB   LEU   9          HB2       LEU   9  -7.728  20.200  -7.434
   80   2HB   LEU   9          HB3       LEU   9  -8.989  21.394  -7.260
   81    HG   LEU   9           HG       LEU   9  -7.186  21.827  -5.738
   82   1HD1  LEU   9          HD11      LEU   9  -9.621  22.296  -5.120
   83   2HD1  LEU   9          HD12      LEU   9  -9.520  20.883  -4.035
   84   3HD1  LEU   9          HD13      LEU   9  -8.460  22.288  -3.804
   85   1HD2  LEU   9          HD21      LEU   9  -6.430  19.446  -5.468
   86   2HD2  LEU   9          HD22      LEU   9  -6.503  20.351  -3.958
   87   3HD2  LEU   9          HD23      LEU   9  -7.776  19.181  -4.348
   88    H    CYS  10           H        CYS  10 -11.872  20.423  -5.880
   89    HA   CYS  10           HA       CYS  10 -12.601  21.370  -8.493
   90   1HB   CYS  10          HB2       CYS  10 -13.326  18.795  -8.247
   91   2HB   CYS  10          HB3       CYS  10 -14.679  19.494  -7.340
   92    HG   CYS  10           HG       CYS  10 -13.500  20.212 -10.362
   93    H    THR  11           H        THR  11 -14.953  22.525  -8.260
   94    HA   THR  11           HA       THR  11 -14.749  24.190  -5.938
   95    HB   THR  11           HB       THR  11 -16.993  25.050  -6.889
   96    HG1  THR  11           HG1      THR  11 -17.302  24.495  -9.043
   97   1HG2  THR  11          HG21      THR  11 -15.780  26.315  -8.594
   98   2HG2  THR  11          HG22      THR  11 -14.766  26.134  -7.152
   99   3HG2  THR  11          HG23      THR  11 -14.452  25.139  -8.577
  100    H    GLY  12           H        GLY  12 -16.087  21.106  -6.264
  101   1HA   GLY  12          HA1       GLY  12 -16.904  21.168  -3.519
  102   2HA   GLY  12          HA2       GLY  12 -18.257  20.822  -4.625
  103    H    ASN  13           H        ASN  13 -15.885  19.366  -2.844
  104    HA   ASN  13           HA       ASN  13 -14.637  17.448  -4.506
  105   1HB   ASN  13          HB2       ASN  13 -14.088  17.929  -2.120
  106   2HB   ASN  13          HB3       ASN  13 -15.595  17.194  -1.612
  107   1HD2  ASN  13          HD22      ASN  13 -13.053  16.408  -0.690
  108   2HD2  ASN  13          HD21      ASN  13 -12.673  14.801  -1.282
  109    H    SER  14           H        SER  14 -17.660  17.342  -2.733
  110    HA   SER  14           HA       SER  14 -18.496  14.886  -2.607
  111   1HB   SER  14          HB2       SER  14 -20.113  17.376  -3.262
  112   2HB   SER  14          HB3       SER  14 -20.755  15.918  -2.463
  113    HG   SER  14           HG       SER  14 -19.421  16.209  -0.796
  114    H    CYS  15           H        CYS  15 -18.408  16.418  -5.752
  115    HA   CYS  15           HA       CYS  15 -19.955  14.109  -6.842
  116   1HB   CYS  15          HB2       CYS  15 -19.888  16.905  -8.039
  117   2HB   CYS  15          HB3       CYS  15 -20.823  15.510  -8.595
  118    HG   CYS  15           HG       CYS  15 -22.184  17.502  -7.462
  119    H    ARG  16           H        ARG  16 -17.947  16.702  -8.303
  120    HA   ARG  16           HA       ARG  16 -16.985  14.928 -10.284
  121   1HB   ARG  16          HB2       ARG  16 -16.166  17.712  -9.383
  122   2HB   ARG  16          HB3       ARG  16 -15.334  16.908 -10.716
  123   1HG   ARG  16          HG2       ARG  16 -17.226  16.828 -12.088
  124   2HG   ARG  16          HG3       ARG  16 -18.364  17.031 -10.759
  125   1HD   ARG  16          HD2       ARG  16 -16.459  19.213 -11.665
  126   2HD   ARG  16          HD3       ARG  16 -18.107  19.025 -12.270
  127    HE   ARG  16           HE       ARG  16 -18.568  19.073  -9.593
  128   1HH1  ARG  16          HH21      ARG  16 -17.013  21.387 -11.793
  129   2HH1  ARG  16          HH22      ARG  16 -16.938  22.638 -10.575
  130   1HH2  ARG  16          HH11      ARG  16 -18.739  20.719  -8.192
  131   2HH2  ARG  16          HH12      ARG  16 -17.942  22.271  -8.481
  132    H    SER  17           H        SER  17 -15.226  16.082  -7.304
  133    HA   SER  17           HA       SER  17 -12.863  14.665  -8.070
  134   1HB   SER  17          HB2       SER  17 -13.655  15.488  -5.276
  135   2HB   SER  17          HB3       SER  17 -12.024  15.263  -5.936
  136    HG   SER  17           HG       SER  17 -12.542  17.434  -5.790
  137    H    GLN  18           H        GLN  18 -15.677  13.757  -6.015
  138    HA   GLN  18           HA       GLN  18 -14.617  11.248  -5.145
  139   1HB   GLN  18          HB2       GLN  18 -17.485  12.219  -5.618
  140   2HB   GLN  18          HB3       GLN  18 -17.097  10.676  -4.875
  141   1HG   GLN  18          HG2       GLN  18 -16.277  13.382  -3.770
  142   2HG   GLN  18          HG3       GLN  18 -17.637  12.435  -3.212
  143   1HE2  GLN  18          HE22      GLN  18 -14.607  13.228  -2.327
  144   2HE2  GLN  18          HE21      GLN  18 -14.207  11.801  -1.373
  145    H    MET  19           H        MET  19 -16.565  12.078  -8.067
  146    HA   MET  19           HA       MET  19 -16.753   9.374  -9.030
  147   1HB   MET  19          HB2       MET  19 -16.961  12.076 -10.438
  148   2HB   MET  19          HB3       MET  19 -17.310  10.526 -11.218
  149   1HG   MET  19          HG2       MET  19 -19.166  10.088  -9.787
  150   2HG   MET  19          HG3       MET  19 -18.697  11.354  -8.665
  151   1HE   MET  19          HE1       MET  19 -20.403  10.528 -12.078
  152   2HE   MET  19          HE2       MET  19 -20.718  12.137 -12.761
  153   3HE   MET  19          HE3       MET  19 -19.051  11.532 -12.660
  154    H    ALA  20           H        ALA  20 -14.450  12.071  -9.816
  155    HA   ALA  20           HA       ALA  20 -12.863  10.684 -11.668
  156   1HB   ALA  20          HB1       ALA  20 -11.118  12.304 -11.097
  157   2HB   ALA  20          HB2       ALA  20 -12.687  13.125 -11.163
  158   3HB   ALA  20          HB3       ALA  20 -11.955  12.732  -9.595
  159    H    GLU  21           H        GLU  21 -12.568  10.791  -8.082
  160    HA   GLU  21           HA       GLU  21 -10.249   9.224  -7.834
  161   1HB   GLU  21          HB2       GLU  21 -11.123  10.489  -5.993
  162   2HB   GLU  21          HB3       GLU  21 -12.633   9.565  -5.973
  163   1HG   GLU  21          HG2       GLU  21 -11.457   7.545  -5.359
  164   2HG   GLU  21          HG3       GLU  21  -9.893   8.345  -5.475
  165    H    GLY  22           H        GLY  22 -13.694   8.165  -7.999
  166   1HA   GLY  22          HA1       GLY  22 -13.273   5.419  -7.653
  167   2HA   GLY  22          HA2       GLY  22 -14.607   6.155  -8.547
  168    H    TRP  23           H        TRP  23 -13.276   7.289 -10.823
  169    HA   TRP  23           HA       TRP  23 -12.748   4.853 -12.343
  170   1HB   TRP  23          HB2       TRP  23 -12.307   7.785 -13.030
  171   2HB   TRP  23          HB3       TRP  23 -12.068   6.459 -14.153
  172    HD1  TRP  23           HD1      TRP  23 -14.708   8.600 -12.593
  173    HE1  TRP  23           HE1      TRP  23 -16.911   8.318 -13.797
  174    HE3  TRP  23           HE3      TRP  23 -13.543   4.509 -15.447
  175    HZ2  TRP  23           HZ2      TRP  23 -18.028   6.606 -15.831
  176    HZ3  TRP  23           HZ3      TRP  23 -15.192   3.621 -17.073
  177    HH2  TRP  23           HH2      TRP  23 -17.436   4.688 -17.287
  178    H    ALA  24           H        ALA  24 -10.711   7.420 -10.910
  179    HA   ALA  24           HA       ALA  24  -8.382   6.772 -12.334
  180   1HB   ALA  24          HB1       ALA  24  -8.767   8.042  -9.588
  181   2HB   ALA  24          HB2       ALA  24  -7.254   8.106 -10.524
  182   3HB   ALA  24          HB3       ALA  24  -8.720   8.894 -11.138
  183    H    LYS  25           H        LYS  25  -9.606   5.479  -9.252
  184    HA   LYS  25           HA       LYS  25  -7.388   3.889  -8.529
  185   1HB   LYS  25          HB2       LYS  25 -10.384   3.468  -8.212
  186   2HB   LYS  25          HB3       LYS  25  -9.198   2.352  -7.521
  187   1HG   LYS  25          HG2       LYS  25  -8.241   4.027  -6.110
  188   2HG   LYS  25          HG3       LYS  25  -9.101   5.332  -6.939
  189   1HD   LYS  25          HD2       LYS  25 -11.267   4.429  -6.159
  190   2HD   LYS  25          HD3       LYS  25 -10.411   3.150  -5.258
  191   1HE   LYS  25          HE2       LYS  25  -9.270   4.813  -3.876
  192   2HE   LYS  25          HE3       LYS  25  -9.852   6.121  -4.909
  193   1HZ   LYS  25          HZ1       LYS  25 -11.470   4.508  -3.045
  194   2HZ   LYS  25          HZ2       LYS  25 -11.210   6.151  -3.061
  195   3HZ   LYS  25          HZ3       LYS  25 -12.142   5.484  -4.206
  196    H    GLN  26           H        GLN  26  -9.782   3.349 -11.102
  197    HA   GLN  26           HA       GLN  26  -8.917   0.601 -11.584
  198   1HB   GLN  26          HB2       GLN  26 -10.339   2.419 -13.533
  199   2HB   GLN  26          HB3       GLN  26 -10.200   0.673 -13.577
  200   1HG   GLN  26          HG2       GLN  26 -11.611   0.561 -11.484
  201   2HG   GLN  26          HG3       GLN  26 -11.852   2.321 -11.616
  202   1HE2  GLN  26          HE22      GLN  26 -12.188   2.894 -14.163
  203   2HE2  GLN  26          HE21      GLN  26 -13.535   2.028 -14.883
  204    H    TYR  27           H        TYR  27  -8.604   3.695 -13.344
  205    HA   TYR  27           HA       TYR  27  -6.917   2.542 -15.340
  206   1HB   TYR  27          HB2       TYR  27  -7.538   5.452 -14.714
  207   2HB   TYR  27          HB3       TYR  27  -6.660   4.911 -16.135
  208    HD1  TYR  27           HD1      TYR  27  -9.795   5.973 -15.153
  209    HD2  TYR  27           HD2      TYR  27  -7.917   2.808 -17.408
  210    HE1  TYR  27           HE1      TYR  27 -11.863   5.681 -16.470
  211    HE2  TYR  27           HE2      TYR  27 -10.009   2.463 -18.680
  212    HH   TYR  27           HH       TYR  27 -12.944   4.471 -18.155
  213    H    LEU  28           H        LEU  28  -6.037   4.665 -12.534
  214    HA   LEU  28           HA       LEU  28  -3.409   5.117 -13.672
  215   1HB   LEU  28          HB2       LEU  28  -4.455   5.647 -10.867
  216   2HB   LEU  28          HB3       LEU  28  -2.946   6.240 -11.534
  217    HG   LEU  28           HG       LEU  28  -5.719   6.995 -12.491
  218   1HD1  LEU  28          HD11      LEU  28  -4.940   7.982 -10.334
  219   2HD1  LEU  28          HD12      LEU  28  -3.537   8.660 -11.185
  220   3HD1  LEU  28          HD13      LEU  28  -5.179   9.189 -11.615
  221   1HD2  LEU  28          HD21      LEU  28  -4.281   7.025 -14.451
  222   2HD2  LEU  28          HD22      LEU  28  -4.578   8.679 -13.933
  223   3HD2  LEU  28          HD23      LEU  28  -3.020   7.909 -13.564
  224    H    GLY  29           H        GLY  29  -4.691   2.894 -11.234
  225   1HA   GLY  29          HA1       GLY  29  -3.821   0.766 -10.780
  226   2HA   GLY  29          HA2       GLY  29  -2.275   1.208 -11.508
  227    H    ASP  30           H        ASP  30  -2.209  -0.116  -9.172
  228    HA   ASP  30           HA       ASP  30  -2.577   1.413  -6.828
  229   1HB   ASP  30          HB2       ASP  30  -2.657  -1.075  -7.033
  230   2HB   ASP  30          HB3       ASP  30  -0.890  -1.072  -7.193
  231    H    GLU  31           H        GLU  31   0.086   1.504  -9.007
  232    HA   GLU  31           HA       GLU  31   2.259   2.196  -7.338
  233   1HB   GLU  31          HB2       GLU  31   1.601   3.742  -9.881
  234   2HB   GLU  31          HB3       GLU  31   3.171   3.412  -9.172
  235   1HG   GLU  31          HG2       GLU  31   2.707   0.924  -9.683
  236   2HG   GLU  31          HG3       GLU  31   1.328   1.506 -10.639
  237    H    TRP  32           H        TRP  32  -0.742   3.849  -8.056
  238    HA   TRP  32           HA       TRP  32   0.331   6.412  -7.013
  239   1HB   TRP  32          HB2       TRP  32  -2.324   5.808  -8.380
  240   2HB   TRP  32          HB3       TRP  32  -1.720   7.390  -7.946
  241    HD1  TRP  32           HD1      TRP  32  -0.653   4.500 -10.311
  242    HE1  TRP  32           HE1      TRP  32  -0.154   5.489 -12.604
  243    HE3  TRP  32           HE3      TRP  32  -1.043   9.469  -9.155
  244    HZ2  TRP  32           HZ2      TRP  32  -0.149   8.055 -13.847
  245    HZ3  TRP  32           HZ3      TRP  32  -0.877  11.172 -10.959
  246    HH2  TRP  32           HH2      TRP  32  -0.517  10.462 -13.308
  247    H    LYS  33           H        LYS  33  -0.703   7.398  -5.278
  248    HA   LYS  33           HA       LYS  33  -2.988   5.960  -3.997
  249   1HB   LYS  33          HB2       LYS  33  -0.575   7.115  -2.795
  250   2HB   LYS  33          HB3       LYS  33  -2.019   7.945  -2.222
  251   1HG   LYS  33          HG2       LYS  33  -1.440   6.058  -0.775
  252   2HG   LYS  33          HG3       LYS  33  -3.033   5.827  -1.495
  253   1HD   LYS  33          HD2       LYS  33  -0.707   4.664  -2.982
  254   2HD   LYS  33          HD3       LYS  33  -1.068   3.935  -1.413
  255   1HE   LYS  33          HE2       LYS  33  -3.177   3.160  -2.064
  256   2HE   LYS  33          HE3       LYS  33  -3.272   4.213  -3.481
  257   1HZ   LYS  33          HZ1       LYS  33  -1.198   2.126  -3.247
  258   2HZ   LYS  33          HZ2       LYS  33  -2.629   1.798  -3.935
  259   3HZ   LYS  33          HZ3       LYS  33  -1.652   2.945  -4.590
  260    H    VAL  34           H        VAL  34  -4.858   6.911  -4.124
  261    HA   VAL  34           HA       VAL  34  -4.907   9.583  -5.431
  262    HB   VAL  34           HB       VAL  34  -5.146   8.001  -7.135
  263   1HG1  VAL  34          HG11      VAL  34  -7.259   6.491  -5.579
  264   2HG1  VAL  34          HG12      VAL  34  -6.771   6.200  -7.268
  265   3HG1  VAL  34          HG13      VAL  34  -5.618   5.918  -5.966
  266   1HG2  VAL  34          HG21      VAL  34  -6.805   9.909  -7.083
  267   2HG2  VAL  34          HG22      VAL  34  -7.230   8.511  -8.080
  268   3HG2  VAL  34          HG23      VAL  34  -8.010   8.752  -6.505
  269    H    TYR  35           H        TYR  35  -6.113  11.023  -4.533
  270    HA   TYR  35           HA       TYR  35  -8.358  10.267  -2.779
  271   1HB   TYR  35          HB2       TYR  35  -6.799  12.545  -1.747
  272   2HB   TYR  35          HB3       TYR  35  -7.645  11.284  -0.900
  273    HD1  TYR  35           HD1      TYR  35  -4.460  12.550  -2.043
  274    HD2  TYR  35           HD2      TYR  35  -6.437   9.039  -0.501
  275    HE1  TYR  35           HE1      TYR  35  -2.303  11.722  -1.193
  276    HE2  TYR  35           HE2      TYR  35  -4.262   8.161   0.298
  277    HH   TYR  35           HH       TYR  35  -1.977   8.596   0.560
  278    H    SER  36           H        SER  36  -9.591  12.353  -2.206
  279    HA   SER  36           HA       SER  36  -9.579  14.281  -4.458
  280   1HB   SER  36          HB2       SER  36 -12.128  13.977  -4.300
  281   2HB   SER  36          HB3       SER  36 -11.215  12.668  -5.073
  282    HG   SER  36           HG       SER  36 -11.458  11.423  -3.286
  283    H    ALA  37           H        ALA  37  -9.995  16.356  -3.904
  284    HA   ALA  37           HA       ALA  37 -11.299  16.974  -1.329
  285   1HB   ALA  37          HB1       ALA  37  -9.724  18.714  -0.930
  286   2HB   ALA  37          HB2       ALA  37  -8.946  17.136  -0.912
  287   3HB   ALA  37          HB3       ALA  37  -8.729  18.217  -2.327
  288    H    GLY  38           H        GLY  38 -11.502  19.610  -1.503
  289   1HA   GLY  38          HA1       GLY  38 -11.861  20.667  -4.128
  290   2HA   GLY  38          HA2       GLY  38 -13.419  20.294  -3.367
  291    H    ILE  39           H        ILE  39 -13.084  22.808  -3.919
  292    HA   ILE  39           HA       ILE  39 -11.951  24.573  -1.981
  293    HB   ILE  39           HB       ILE  39 -14.319  24.675  -3.877
  294   1HG1  ILE  39          HG12      ILE  39 -13.070  26.528  -4.927
  295   2HG1  ILE  39          HG13      ILE  39 -11.793  26.369  -3.721
  296   1HG2  ILE  39          HG21      ILE  39 -13.576  26.920  -1.973
  297   2HG2  ILE  39          HG22      ILE  39 -14.666  27.065  -3.371
  298   3HG2  ILE  39          HG23      ILE  39 -15.117  26.024  -2.031
  299   1HD1  ILE  39          HD11      ILE  39 -11.169  24.174  -4.667
  300   2HD1  ILE  39          HD12      ILE  39 -12.532  24.282  -5.814
  301   3HD1  ILE  39          HD13      ILE  39 -11.199  25.419  -5.919
  302    H    GLU  40           H        GLU  40 -15.017  22.732  -2.128
  303    HA   GLU  40           HA       GLU  40 -15.043  22.665   0.791
  304   1HB   GLU  40          HB2       GLU  40 -17.362  23.317   1.023
  305   2HB   GLU  40          HB3       GLU  40 -16.422  24.627   0.328
  306   1HG   GLU  40          HG2       GLU  40 -17.291  24.091  -1.928
  307   2HG   GLU  40          HG3       GLU  40 -18.207  22.729  -1.275
  308    H    ALA  41           H        ALA  41 -17.071  21.207   1.398
  309    HA   ALA  41           HA       ALA  41 -17.755  19.122  -0.556
  310   1HB   ALA  41          HB1       ALA  41 -15.734  18.224   0.575
  311   2HB   ALA  41          HB2       ALA  41 -16.461  18.563   2.161
  312   3HB   ALA  41          HB3       ALA  41 -17.199  17.356   1.093
  313    H    HIS  42           H        HIS  42 -19.779  18.210   0.024
  314    HA   HIS  42           HA       HIS  42 -21.147  19.302   2.440
  315   1HB   HIS  42          HB2       HIS  42 -23.155  19.593   1.155
  316   2HB   HIS  42          HB3       HIS  42 -21.849  20.488   0.403
  317    HD1  HIS  42           HD1      HIS  42 -23.997  17.343  -0.197
  318    HD2  HIS  42           HD2      HIS  42 -21.298  19.917  -2.141
  319    HE1  HIS  42           HE1      HIS  42 -24.149  16.795  -2.674
  320    H    GLY  43           H        GLY  43 -19.808  16.597   1.425
  321   1HA   GLY  43          HA1       GLY  43 -20.397  14.602   2.868
  322   2HA   GLY  43          HA2       GLY  43 -22.009  14.723   2.137
  323    H    LEU  44           H        LEU  44 -21.223  12.426   1.491
  324    HA   LEU  44           HA       LEU  44 -19.725  12.477  -1.097
  325   1HB   LEU  44          HB2       LEU  44 -19.064  10.665   0.336
  326   2HB   LEU  44          HB3       LEU  44 -20.744  10.242   0.701
  327    HG   LEU  44           HG       LEU  44 -21.144   9.414  -1.477
  328   1HD1  LEU  44          HD11      LEU  44 -19.900  10.925  -2.949
  329   2HD1  LEU  44          HD12      LEU  44 -18.367  10.383  -2.229
  330   3HD1  LEU  44          HD13      LEU  44 -19.335   9.278  -3.220
  331   1HD2  LEU  44          HD21      LEU  44 -19.572   7.528  -1.513
  332   2HD2  LEU  44          HD22      LEU  44 -18.403   8.461  -0.573
  333   3HD2  LEU  44          HD23      LEU  44 -19.933   7.960   0.168
  334    H    ASN  45           H        ASN  45 -21.096  13.168  -2.748
  335    HA   ASN  45           HA       ASN  45 -23.874  13.497  -2.280
  336   1HB   ASN  45          HB2       ASN  45 -22.455  14.819  -3.874
  337   2HB   ASN  45          HB3       ASN  45 -22.501  13.457  -4.996
  338   1HD2  ASN  45          HD22      ASN  45 -23.648  16.282  -5.148
  339   2HD2  ASN  45          HD21      ASN  45 -25.361  16.058  -5.434
  340    HA   PRO  46           HA       PRO  46 -25.188   9.221  -3.122
  341   1HB   PRO  46          HB2       PRO  46 -27.772  10.675  -3.715
  342   2HB   PRO  46          HB3       PRO  46 -27.520   9.155  -2.799
  343   1HG   PRO  46          HG2       PRO  46 -27.915  11.489  -1.478
  344   2HG   PRO  46          HG3       PRO  46 -26.646  10.350  -0.919
  345   1HD   PRO  46          HD2       PRO  46 -26.317  12.853  -2.588
  346   2HD   PRO  46          HD3       PRO  46 -25.330  12.273  -1.214
  347    H    ASN  47           H        ASN  47 -25.829  11.976  -5.356
  348    HA   ASN  47           HA       ASN  47 -26.436  10.365  -7.639
  349   1HB   ASN  47          HB2       ASN  47 -26.691  12.296  -8.689
  350   2HB   ASN  47          HB3       ASN  47 -26.392  13.116  -7.177
  351   1HD2  ASN  47          HD22      ASN  47 -25.339  12.720 -10.440
  352   2HD2  ASN  47          HD21      ASN  47 -23.774  13.483 -10.280
  353    H    ALA  48           H        ALA  48 -23.327  11.398  -6.196
  354    HA   ALA  48           HA       ALA  48 -21.735  10.539  -8.442
  355   1HB   ALA  48          HB1       ALA  48 -20.957  10.968  -5.512
  356   2HB   ALA  48          HB2       ALA  48 -19.847  10.797  -6.873
  357   3HB   ALA  48          HB3       ALA  48 -20.932  12.198  -6.792
  358    H    VAL  49           H        VAL  49 -22.799   9.100  -5.325
  359    HA   VAL  49           HA       VAL  49 -21.342   6.678  -5.602
  360    HB   VAL  49           HB       VAL  49 -23.986   7.034  -4.143
  361   1HG1  VAL  49          HG11      VAL  49 -21.696   5.019  -3.899
  362   2HG1  VAL  49          HG12      VAL  49 -23.063   5.144  -2.766
  363   3HG1  VAL  49          HG13      VAL  49 -23.347   4.672  -4.443
  364   1HG2  VAL  49          HG21      VAL  49 -22.519   7.387  -2.132
  365   2HG2  VAL  49          HG22      VAL  49 -21.113   7.465  -3.217
  366   3HG2  VAL  49          HG23      VAL  49 -22.386   8.693  -3.301
  367    H    LYS  50           H        LYS  50 -24.768   7.462  -6.559
  368    HA   LYS  50           HA       LYS  50 -25.119   4.864  -7.642
  369   1HB   LYS  50          HB2       LYS  50 -26.934   6.557  -6.988
  370   2HB   LYS  50          HB3       LYS  50 -26.678   7.297  -8.583
  371   1HG   LYS  50          HG2       LYS  50 -27.139   5.055  -9.637
  372   2HG   LYS  50          HG3       LYS  50 -27.396   4.369  -8.027
  373   1HD   LYS  50          HD2       LYS  50 -29.303   5.922  -7.677
  374   2HD   LYS  50          HD3       LYS  50 -29.046   6.584  -9.307
  375   1HE   LYS  50          HE2       LYS  50 -29.430   4.335 -10.285
  376   2HE   LYS  50          HE3       LYS  50 -29.683   3.670  -8.667
  377   1HZ   LYS  50          HZ1       LYS  50 -31.621   5.114  -8.447
  378   2HZ   LYS  50          HZ2       LYS  50 -31.390   5.729  -9.945
  379   3HZ   LYS  50          HZ3       LYS  50 -31.777   4.159  -9.754
  380    H    ALA  51           H        ALA  51 -24.056   7.930  -9.235
  381    HA   ALA  51           HA       ALA  51 -24.097   6.989 -11.869
  382   1HB   ALA  51          HB1       ALA  51 -22.091   8.907 -10.582
  383   2HB   ALA  51          HB2       ALA  51 -22.375   8.728 -12.323
  384   3HB   ALA  51          HB3       ALA  51 -23.668   9.359 -11.280
  385    H    MET  52           H        MET  52 -21.427   6.713  -9.444
  386    HA   MET  52           HA       MET  52 -19.734   5.257 -11.273
  387   1HB   MET  52          HB2       MET  52 -19.706   5.697  -8.269
  388   2HB   MET  52          HB3       MET  52 -18.403   4.939  -9.184
  389   1HG   MET  52          HG2       MET  52 -19.394   7.795  -9.452
  390   2HG   MET  52          HG3       MET  52 -17.852   7.265  -8.800
  391   1HE   MET  52          HE1       MET  52 -16.858   5.115 -10.648
  392   2HE   MET  52          HE2       MET  52 -15.996   5.904 -11.957
  393   3HE   MET  52          HE3       MET  52 -15.770   6.473 -10.294
  394    H    LYS  53           H        LYS  53 -22.018   4.309  -8.647
  395    HA   LYS  53           HA       LYS  53 -21.234   1.595  -8.585
  396   1HB   LYS  53          HB2       LYS  53 -22.497   2.741  -6.803
  397   2HB   LYS  53          HB3       LYS  53 -23.923   2.826  -7.855
  398   1HG   LYS  53          HG2       LYS  53 -24.078   0.369  -7.870
  399   2HG   LYS  53          HG3       LYS  53 -22.572   0.249  -6.933
  400   1HD   LYS  53          HD2       LYS  53 -23.648   1.391  -5.022
  401   2HD   LYS  53          HD3       LYS  53 -25.105   1.661  -5.982
  402   1HE   LYS  53          HE2       LYS  53 -25.538  -0.180  -4.516
  403   2HE   LYS  53          HE3       LYS  53 -25.458  -0.792  -6.167
  404   1HZ   LYS  53          HZ1       LYS  53 -23.216  -1.599  -5.686
  405   2HZ   LYS  53          HZ2       LYS  53 -23.279  -0.995  -4.162
  406   3HZ   LYS  53          HZ3       LYS  53 -24.269  -2.205  -4.608
  407    H    GLU  54           H        GLU  54 -23.612   3.274 -10.636
  408    HA   GLU  54           HA       GLU  54 -24.667   0.958 -11.894
  409   1HB   GLU  54          HB2       GLU  54 -24.454   3.886 -12.677
  410   2HB   GLU  54          HB3       GLU  54 -25.176   2.708 -13.772
  411   1HG   GLU  54          HG2       GLU  54 -26.116   3.125 -10.907
  412   2HG   GLU  54          HG3       GLU  54 -26.792   3.965 -12.298
  413    H    VAL  55           H        VAL  55 -21.522   2.454 -12.257
  414    HA   VAL  55           HA       VAL  55 -20.966   0.996 -14.773
  415    HB   VAL  55           HB       VAL  55 -19.253   2.864 -13.071
  416   1HG1  VAL  55          HG11      VAL  55 -17.793   3.053 -15.051
  417   2HG1  VAL  55          HG12      VAL  55 -17.764   1.436 -14.381
  418   3HG1  VAL  55          HG13      VAL  55 -18.709   1.757 -15.855
  419   1HG2  VAL  55          HG21      VAL  55 -19.635   4.479 -14.901
  420   2HG2  VAL  55          HG22      VAL  55 -20.746   3.338 -15.691
  421   3HG2  VAL  55          HG23      VAL  55 -21.159   4.056 -14.126
  422    H    GLY  56           H        GLY  56 -21.058   0.304 -11.442
  423   1HA   GLY  56          HA1       GLY  56 -20.501  -1.731 -10.469
  424   2HA   GLY  56          HA2       GLY  56 -19.310  -2.062 -11.734
  425    H    ILE  57           H        ILE  57 -19.308   1.142 -10.247
  426    HA   ILE  57           HA       ILE  57 -16.828   0.458  -8.739
  427    HB   ILE  57           HB       ILE  57 -17.534   3.037 -10.175
  428   1HG1  ILE  57          HG12      ILE  57 -15.581   0.833 -10.972
  429   2HG1  ILE  57          HG13      ILE  57 -17.064   1.287 -11.817
  430   1HG2  ILE  57          HG21      ILE  57 -15.254   3.738  -9.572
  431   2HG2  ILE  57          HG22      ILE  57 -16.087   3.250  -8.105
  432   3HG2  ILE  57          HG23      ILE  57 -14.917   2.151  -8.853
  433   1HD1  ILE  57          HD11      ILE  57 -15.311   2.250 -13.051
  434   2HD1  ILE  57          HD12      ILE  57 -16.073   3.581 -12.190
  435   3HD1  ILE  57          HD13      ILE  57 -14.513   2.919 -11.615
  436    H    ASP  58           H        ASP  58 -17.791   0.078  -6.813
  437    HA   ASP  58           HA       ASP  58 -19.946   1.739  -5.777
  438   1HB   ASP  58          HB2       ASP  58 -20.015   0.231  -3.929
  439   2HB   ASP  58          HB3       ASP  58 -19.985  -0.671  -5.435
  440    H    ILE  59           H        ILE  59 -18.708   3.762  -5.908
  441    HA   ILE  59           HA       ILE  59 -16.499   4.227  -4.130
  442    HB   ILE  59           HB       ILE  59 -16.714   6.529  -4.630
  443   1HG1  ILE  59          HG12      ILE  59 -19.309   6.113  -6.124
  444   2HG1  ILE  59          HG13      ILE  59 -19.259   6.639  -4.445
  445   1HG2  ILE  59          HG21      ILE  59 -16.441   6.533  -7.021
  446   2HG2  ILE  59          HG22      ILE  59 -15.768   5.034  -6.367
  447   3HG2  ILE  59          HG23      ILE  59 -17.353   5.019  -7.177
  448   1HD1  ILE  59          HD11      ILE  59 -17.811   8.564  -5.087
  449   2HD1  ILE  59          HD12      ILE  59 -18.084   8.162  -6.793
  450   3HD1  ILE  59          HD13      ILE  59 -19.449   8.611  -5.749
  451    H    SER  60           H        SER  60 -19.550   3.389  -3.203
  452    HA   SER  60           HA       SER  60 -20.490   5.193  -1.395
  453   1HB   SER  60          HB2       SER  60 -20.463   2.245  -0.756
  454   2HB   SER  60          HB3       SER  60 -21.799   3.400  -0.654
  455    HG   SER  60           HG       SER  60 -22.045   1.961  -2.408
  456    H    ASN  61           H        ASN  61 -17.672   3.103  -1.039
  457    HA   ASN  61           HA       ASN  61 -17.414   3.360   1.820
  458   1HB   ASN  61          HB2       ASN  61 -16.601   1.398   0.519
  459   2HB   ASN  61          HB3       ASN  61 -15.429   2.436  -0.297
  460   1HD2  ASN  61          HD22      ASN  61 -13.376   2.164   0.579
  461   2HD2  ASN  61          HD21      ASN  61 -13.044   1.865   2.262
  462    H    GLN  62           H        GLN  62 -16.626   5.508  -0.795
  463    HA   GLN  62           HA       GLN  62 -14.261   6.691   0.347
  464   1HB   GLN  62          HB2       GLN  62 -16.165   7.743  -1.787
  465   2HB   GLN  62          HB3       GLN  62 -14.592   8.430  -1.350
  466   1HG   GLN  62          HG2       GLN  62 -13.465   6.352  -2.006
  467   2HG   GLN  62          HG3       GLN  62 -15.004   5.653  -2.505
  468   1HE2  GLN  62          HE22      GLN  62 -15.119   8.964  -3.458
  469   2HE2  GLN  62          HE21      GLN  62 -14.621   8.674  -5.122
  470    H    THR  63           H        THR  63 -14.422   9.179   0.754
  471    HA   THR  63           HA       THR  63 -16.931  10.209   1.696
  472    HB   THR  63           HB       THR  63 -15.695  11.077   3.844
  473    HG1  THR  63           HG1      THR  63 -13.668  10.141   3.427
  474   1HG2  THR  63          HG21      THR  63 -17.679   9.504   3.783
  475   2HG2  THR  63          HG22      THR  63 -16.530   8.155   3.875
  476   3HG2  THR  63          HG23      THR  63 -16.615   9.340   5.192
  477    H    SER  64           H        SER  64 -16.769  12.597   1.947
  478    HA   SER  64           HA       SER  64 -14.707  13.695   0.147
  479   1HB   SER  64          HB2       SER  64 -17.289  14.880   1.218
  480   2HB   SER  64          HB3       SER  64 -16.268  15.546  -0.071
  481    HG   SER  64           HG       SER  64 -18.245  14.132  -0.517
  482    H    ASP  65           H        ASP  65 -13.687  15.658   0.691
  483    HA   ASP  65           HA       ASP  65 -13.682  16.722   3.413
  484   1HB   ASP  65          HB2       ASP  65 -11.905  14.835   3.282
  485   2HB   ASP  65          HB3       ASP  65 -11.071  15.859   2.097
  486    H    ILE  66           H        ILE  66 -12.357  18.808   3.391
  487    HA   ILE  66           HA       ILE  66 -12.426  20.068   0.707
  488    HB   ILE  66           HB       ILE  66 -12.601  22.123   1.759
  489   1HG1  ILE  66          HG12      ILE  66 -11.927  20.787   4.407
  490   2HG1  ILE  66          HG13      ILE  66 -10.950  21.974   3.518
  491   1HG2  ILE  66          HG21      ILE  66 -14.315  20.358   3.559
  492   2HG2  ILE  66          HG22      ILE  66 -14.712  21.943   2.880
  493   3HG2  ILE  66          HG23      ILE  66 -14.608  20.516   1.825
  494   1HD1  ILE  66          HD11      ILE  66 -13.600  22.435   4.917
  495   2HD1  ILE  66          HD12      ILE  66 -12.023  23.152   5.296
  496   3HD1  ILE  66          HD13      ILE  66 -12.874  23.612   3.795
  497    H    ILE  67           H        ILE  67 -10.514  21.472   0.224
  498    HA   ILE  67           HA       ILE  67  -8.324  19.798   0.070
  499    HB   ILE  67           HB       ILE  67  -8.877  21.404  -1.560
  500   1HG1  ILE  67          HG12      ILE  67  -6.530  20.542  -1.280
  501   2HG1  ILE  67          HG13      ILE  67  -6.808  21.892  -2.353
  502   1HG2  ILE  67          HG21      ILE  67  -8.085  23.625   0.348
  503   2HG2  ILE  67          HG22      ILE  67  -8.380  23.809  -1.394
  504   3HG2  ILE  67          HG23      ILE  67  -9.697  23.304  -0.334
  505   1HD1  ILE  67          HD11      ILE  67  -5.703  22.305   0.443
  506   2HD1  ILE  67          HD12      ILE  67  -4.729  22.125  -1.021
  507   3HD1  ILE  67          HD13      ILE  67  -5.848  23.488  -0.864
  508    H    ASP  68           H        ASP  68  -6.559  19.347   1.017
  509    HA   ASP  68           HA       ASP  68  -5.681  20.840   3.439
  510   1HB   ASP  68          HB2       ASP  68  -6.452  18.616   4.040
  511   2HB   ASP  68          HB3       ASP  68  -5.460  17.885   2.773
  512    H    SER  69           H        SER  69  -3.940  22.032   2.880
  513    HA   SER  69           HA       SER  69  -2.626  21.779   0.401
  514   1HB   SER  69          HB2       SER  69  -1.044  23.487   1.614
  515   2HB   SER  69          HB3       SER  69  -2.710  23.923   1.202
  516    HG   SER  69           HG       SER  69  -2.159  24.489   3.359
  517    H    ASP  70           H        ASP  70  -2.022  20.068   3.416
  518    HA   ASP  70           HA       ASP  70   0.783  19.654   3.009
  519   1HB   ASP  70          HB2       ASP  70  -0.271  19.253   5.181
  520   2HB   ASP  70          HB3       ASP  70  -1.255  17.958   4.485
  521    H    ILE  71           H        ILE  71  -2.117  17.856   1.975
  522    HA   ILE  71           HA       ILE  71  -0.623  15.692   0.737
  523    HB   ILE  71           HB       ILE  71  -3.504  16.597   0.345
  524   1HG1  ILE  71          HG12      ILE  71  -2.281  14.257   1.882
  525   2HG1  ILE  71          HG13      ILE  71  -2.944  15.723   2.614
  526   1HG2  ILE  71          HG21      ILE  71  -2.102  14.063  -0.651
  527   2HG2  ILE  71          HG22      ILE  71  -3.837  14.431  -0.810
  528   3HG2  ILE  71          HG23      ILE  71  -2.669  15.396  -1.677
  529   1HD1  ILE  71          HD11      ILE  71  -4.591  14.014   2.842
  530   2HD1  ILE  71          HD12      ILE  71  -5.188  15.144   1.609
  531   3HD1  ILE  71          HD13      ILE  71  -4.496  13.569   1.134
  532    H    LEU  72           H        LEU  72  -2.236  18.665  -0.419
  533    HA   LEU  72           HA       LEU  72  -1.749  18.533  -3.129
  534   1HB   LEU  72          HB2       LEU  72  -3.036  20.282  -1.857
  535   2HB   LEU  72          HB3       LEU  72  -1.508  20.924  -1.272
  536    HG   LEU  72           HG       LEU  72  -0.937  21.252  -3.825
  537   1HD1  LEU  72          HD11      LEU  72  -3.006  20.079  -4.636
  538   2HD1  LEU  72          HD12      LEU  72  -3.997  21.312  -3.839
  539   3HD1  LEU  72          HD13      LEU  72  -2.920  21.769  -5.173
  540   1HD2  LEU  72          HD21      LEU  72  -2.923  22.977  -2.284
  541   2HD2  LEU  72          HD22      LEU  72  -1.156  23.056  -2.178
  542   3HD2  LEU  72          HD23      LEU  72  -1.958  23.504  -3.692
  543    H    ASN  73           H        ASN  73   0.479  19.919  -0.661
  544    HA   ASN  73           HA       ASN  73   2.498  20.613  -2.538
  545   1HB   ASN  73          HB2       ASN  73   2.359  20.427   0.496
  546   2HB   ASN  73          HB3       ASN  73   3.913  20.657  -0.274
  547   1HD2  ASN  73          HD22      ASN  73   0.738  22.179   0.194
  548   2HD2  ASN  73          HD21      ASN  73   1.259  23.781  -0.312
  549    H    ASN  74           H        ASN  74   1.757  17.441  -1.451
  550    HA   ASN  74           HA       ASN  74   4.483  16.598  -2.279
  551   1HB   ASN  74          HB2       ASN  74   4.826  15.108  -0.635
  552   2HB   ASN  74          HB3       ASN  74   4.082  16.422   0.277
  553   1HD2  ASN  74          HD22      ASN  74   1.686  16.095   0.864
  554   2HD2  ASN  74          HD21      ASN  74   1.188  14.437   1.123
  555    H    ALA  75           H        ALA  75   1.413  16.641  -3.321
  556    HA   ALA  75           HA       ALA  75   1.128  13.941  -4.208
  557   1HB   ALA  75          HB1       ALA  75   0.054  16.525  -5.400
  558   2HB   ALA  75          HB2       ALA  75  -0.508  14.877  -5.770
  559   3HB   ALA  75          HB3       ALA  75  -0.751  15.548  -4.151
  560    H    ASP  76           H        ASP  76   1.601  13.172  -6.464
  561    HA   ASP  76           HA       ASP  76   4.061  14.375  -7.620
  562   1HB   ASP  76          HB2       ASP  76   3.755  11.904  -7.679
  563   2HB   ASP  76          HB3       ASP  76   2.294  12.121  -8.658
  564    H    LEU  77           H        LEU  77   0.550  14.219  -8.069
  565    HA   LEU  77           HA       LEU  77   0.636  16.384 -10.074
  566   1HB   LEU  77          HB2       LEU  77   0.630  14.395 -11.392
  567   2HB   LEU  77          HB3       LEU  77  -0.581  13.627 -10.357
  568    HG   LEU  77           HG       LEU  77  -2.265  15.311 -11.155
  569   1HD1  LEU  77          HD11      LEU  77  -1.840  16.553 -13.214
  570   2HD1  LEU  77          HD12      LEU  77  -0.678  17.065 -11.998
  571   3HD1  LEU  77          HD13      LEU  77  -0.183  15.947 -13.292
  572   1HD2  LEU  77          HD21      LEU  77  -2.152  13.043 -12.080
  573   2HD2  LEU  77          HD22      LEU  77  -2.610  14.201 -13.334
  574   3HD2  LEU  77          HD23      LEU  77  -0.952  13.563 -13.272
  575    H    VAL  78           H        VAL  78  -1.130  17.655 -10.034
  576    HA   VAL  78           HA       VAL  78  -3.392  17.046  -8.190
  577    HB   VAL  78           HB       VAL  78  -1.893  19.664  -8.685
  578   1HG1  VAL  78          HG11      VAL  78  -3.475  20.751  -7.154
  579   2HG1  VAL  78          HG12      VAL  78  -4.321  20.130  -8.561
  580   3HG1  VAL  78          HG13      VAL  78  -4.415  19.244  -7.021
  581   1HG2  VAL  78          HG21      VAL  78  -0.857  18.122  -6.995
  582   2HG2  VAL  78          HG22      VAL  78  -1.336  19.688  -6.356
  583   3HG2  VAL  78          HG23      VAL  78  -2.334  18.235  -6.037
  584    H    VAL  79           H        VAL  79  -5.418  17.481  -9.283
  585    HA   VAL  79           HA       VAL  79  -5.160  19.067 -11.731
  586    HB   VAL  79           HB       VAL  79  -6.524  17.757 -13.141
  587   1HG1  VAL  79          HG11      VAL  79  -4.415  15.856 -12.054
  588   2HG1  VAL  79          HG12      VAL  79  -5.078  15.927 -13.703
  589   3HG1  VAL  79          HG13      VAL  79  -4.077  17.254 -13.093
  590   1HG2  VAL  79          HG21      VAL  79  -8.006  16.657 -11.580
  591   2HG2  VAL  79          HG22      VAL  79  -7.253  15.467 -12.642
  592   3HG2  VAL  79          HG23      VAL  79  -6.667  15.646 -10.966
  593    H    THR  80           H        THR  80  -6.722  20.549 -11.960
  594    HA   THR  80           HA       THR  80  -8.830  20.474  -9.862
  595    HB   THR  80           HB       THR  80  -9.170  22.782 -10.163
  596    HG1  THR  80           HG1      THR  80  -8.825  23.073 -12.330
  597   1HG2  THR  80          HG21      THR  80  -7.110  21.905  -8.831
  598   2HG2  THR  80          HG22      THR  80  -6.143  22.511 -10.182
  599   3HG2  THR  80          HG23      THR  80  -7.162  23.612  -9.226
  600    H    LEU  81           H        LEU  81 -10.682  19.657 -10.487
  601    HA   LEU  81           HA       LEU  81 -10.956  18.766 -13.219
  602   1HB   LEU  81          HB2       LEU  81 -12.766  18.495 -10.792
  603   2HB   LEU  81          HB3       LEU  81 -13.014  17.651 -12.315
  604    HG   LEU  81           HG       LEU  81 -10.507  17.355 -10.583
  605   1HD1  LEU  81          HD11      LEU  81 -12.433  16.550  -9.357
  606   2HD1  LEU  81          HD12      LEU  81 -12.956  15.570 -10.753
  607   3HD1  LEU  81          HD13      LEU  81 -11.441  15.191  -9.902
  608   1HD2  LEU  81          HD21      LEU  81 -11.540  15.767 -12.964
  609   2HD2  LEU  81          HD22      LEU  81 -10.069  16.767 -12.906
  610   3HD2  LEU  81          HD23      LEU  81 -10.176  15.286 -11.952
  611    H    CYS  82           H        CYS  82 -11.539  21.842 -12.103
  612    HA   CYS  82           HA       CYS  82 -13.271  22.306 -14.313
  613   1HB   CYS  82          HB2       CYS  82 -15.091  23.415 -13.213
  614   2HB   CYS  82          HB3       CYS  82 -14.926  21.796 -12.508
  615    HG   CYS  82           HG       CYS  82 -13.559  22.504 -10.445
  616    H    GLY  83           H        GLY  83 -13.447  24.710 -14.705
  617   1HA   GLY  83          HA1       GLY  83 -10.797  25.707 -14.664
  618   2HA   GLY  83          HA2       GLY  83 -12.239  26.559 -15.247
  619    H    ASP  84           H        ASP  84 -13.725  26.660 -12.753
  620    HA   ASP  84           HA       ASP  84 -12.463  28.968 -11.606
  621   1HB   ASP  84          HB2       ASP  84 -14.913  28.634 -11.664
  622   2HB   ASP  84          HB3       ASP  84 -14.759  27.316 -10.500
  623    H    ALA  85           H        ALA  85 -12.584  25.532 -10.630
  624    HA   ALA  85           HA       ALA  85 -11.425  25.918  -8.043
  625   1HB   ALA  85          HB1       ALA  85 -12.597  23.848  -8.593
  626   2HB   ALA  85          HB2       ALA  85 -11.396  23.464  -9.854
  627   3HB   ALA  85          HB3       ALA  85 -10.927  23.487  -8.141
  628    H    ALA  86           H        ALA  86  -9.994  26.068 -11.227
  629    HA   ALA  86           HA       ALA  86  -7.373  25.196 -10.613
  630   1HB   ALA  86          HB1       ALA  86  -8.184  27.328 -12.603
  631   2HB   ALA  86          HB2       ALA  86  -6.724  26.329 -12.628
  632   3HB   ALA  86          HB3       ALA  86  -8.316  25.566 -12.884
  633    H    ASP  87           H        ASP  87  -9.032  28.178  -9.725
  634    HA   ASP  87           HA       ASP  87  -6.740  29.745  -9.075
  635   1HB   ASP  87          HB2       ASP  87  -9.016  30.673  -9.226
  636   2HB   ASP  87          HB3       ASP  87  -9.522  29.680  -7.851
  637    H    LYS  88           H        LYS  88  -8.390  27.086  -7.416
  638    HA   LYS  88           HA       LYS  88  -7.051  27.671  -4.857
  639   1HB   LYS  88          HB2       LYS  88  -9.513  26.976  -5.109
  640   2HB   LYS  88          HB3       LYS  88  -8.915  25.360  -5.489
  641   1HG   LYS  88          HG2       LYS  88  -9.508  25.401  -3.194
  642   2HG   LYS  88          HG3       LYS  88  -7.743  25.366  -3.236
  643   1HD   LYS  88          HD2       LYS  88  -7.631  27.755  -2.709
  644   2HD   LYS  88          HD3       LYS  88  -9.393  27.918  -2.906
  645   1HE   LYS  88          HE2       LYS  88  -9.742  26.334  -1.042
  646   2HE   LYS  88          HE3       LYS  88  -7.992  26.189  -0.824
  647   1HZ   LYS  88          HZ1       LYS  88  -8.948  27.776   0.734
  648   2HZ   LYS  88          HZ2       LYS  88  -7.937  28.561  -0.271
  649   3HZ   LYS  88          HZ3       LYS  88  -9.554  28.690  -0.469
  650    H    CYS  89           H        CYS  89  -5.022  27.400  -6.224
  651    HA   CYS  89           HA       CYS  89  -3.982  24.668  -5.594
  652   1HB   CYS  89          HB2       CYS  89  -3.001  26.450  -7.864
  653   2HB   CYS  89          HB3       CYS  89  -2.360  24.870  -7.385
  654    HG   CYS  89           HG       CYS  89  -5.222  25.752  -8.742
  655    HA   PRO  90           HA       PRO  90  -2.641  28.182  -2.823
  656   1HB   PRO  90          HB2       PRO  90  -1.933  25.729  -1.200
  657   2HB   PRO  90          HB3       PRO  90  -2.521  27.325  -0.632
  658   1HG   PRO  90          HG2       PRO  90  -4.205  25.201  -0.929
  659   2HG   PRO  90          HG3       PRO  90  -4.720  26.864  -1.342
  660   1HD   PRO  90          HD2       PRO  90  -4.053  24.624  -3.190
  661   2HD   PRO  90          HD3       PRO  90  -5.093  26.048  -3.409
  662    H    MET  91           H        MET  91  -0.663  25.208  -3.251
  663    HA   MET  91           HA       MET  91   1.394  26.659  -4.562
  664   1HB   MET  91          HB2       MET  91   1.763  26.799  -1.828
  665   2HB   MET  91          HB3       MET  91   2.572  25.278  -2.164
  666   1HG   MET  91          HG2       MET  91   3.137  27.968  -3.470
  667   2HG   MET  91          HG3       MET  91   4.086  27.219  -2.192
  668   1HE   MET  91          HE1       MET  91   6.317  27.621  -3.503
  669   2HE   MET  91          HE2       MET  91   6.572  27.142  -5.195
  670   3HE   MET  91          HE3       MET  91   5.392  28.412  -4.802
  671    H    THR  92           H        THR  92   2.440  25.165  -5.923
  672    HA   THR  92           HA       THR  92   2.267  22.276  -5.265
  673    HB   THR  92           HB       THR  92   1.741  21.810  -7.651
  674    HG1  THR  92           HG1      THR  92   2.348  23.924  -8.409
  675   1HG2  THR  92          HG21      THR  92  -0.609  22.179  -7.509
  676   2HG2  THR  92          HG22      THR  92  -0.016  21.808  -5.889
  677   3HG2  THR  92          HG23      THR  92  -0.411  23.487  -6.321
  678    HA   PRO  93           HA       PRO  93   6.523  23.934  -6.032
  679   1HB   PRO  93          HB2       PRO  93   7.867  22.308  -4.239
  680   2HB   PRO  93          HB3       PRO  93   7.017  23.815  -3.784
  681   1HG   PRO  93          HG2       PRO  93   5.991  20.966  -3.631
  682   2HG   PRO  93          HG3       PRO  93   5.937  22.232  -2.362
  683   1HD   PRO  93          HD2       PRO  93   3.806  21.729  -3.946
  684   2HD   PRO  93          HD3       PRO  93   4.212  23.405  -3.485
  685    HA   PRO  94           HA       PRO  94   7.976  21.392  -9.119
  686   1HB   PRO  94          HB2       PRO  94  10.542  20.755  -7.644
  687   2HB   PRO  94          HB3       PRO  94  10.324  21.215  -9.365
  688   1HG   PRO  94          HG2       PRO  94  11.040  23.097  -7.566
  689   2HG   PRO  94          HG3       PRO  94   9.757  23.465  -8.766
  690   1HD   PRO  94          HD2       PRO  94   9.461  22.710  -5.863
  691   2HD   PRO  94          HD3       PRO  94   8.565  23.928  -6.816
  692    H    HIS  95           H        HIS  95   8.069  19.535  -6.090
  693    HA   HIS  95           HA       HIS  95   8.367  16.912  -7.238
  694   1HB   HIS  95          HB2       HIS  95   8.484  17.392  -4.809
  695   2HB   HIS  95          HB3       HIS  95   6.786  17.870  -4.805
  696    HD1  HIS  95           HD1      HIS  95   4.987  15.720  -5.382
  697    HD2  HIS  95           HD2      HIS  95   9.024  14.850  -4.496
  698    HE1  HIS  95           HE1      HIS  95   5.080  13.258  -4.793
  699    H    VAL  96           H        VAL  96   5.674  19.159  -6.859
  700    HA   VAL  96           HA       VAL  96   3.590  17.324  -7.775
  701    HB   VAL  96           HB       VAL  96   3.346  20.284  -7.064
  702   1HG1  VAL  96          HG11      VAL  96   1.481  17.901  -6.806
  703   2HG1  VAL  96          HG12      VAL  96   1.110  19.546  -6.258
  704   3HG1  VAL  96          HG13      VAL  96   1.337  19.234  -7.978
  705   1HG2  VAL  96          HG21      VAL  96   2.860  19.776  -4.750
  706   2HG2  VAL  96          HG22      VAL  96   3.364  18.101  -4.967
  707   3HG2  VAL  96          HG23      VAL  96   4.538  19.422  -5.122
  708    H    LYS  97           H        LYS  97   2.273  17.931  -9.598
  709    HA   LYS  97           HA       LYS  97   3.155  20.096 -11.369
  710   1HB   LYS  97          HB2       LYS  97   3.345  18.792 -13.326
  711   2HB   LYS  97          HB3       LYS  97   4.281  17.943 -12.103
  712   1HG   LYS  97          HG2       LYS  97   1.910  16.620 -11.853
  713   2HG   LYS  97          HG3       LYS  97   1.789  17.133 -13.544
  714   1HD   LYS  97          HD2       LYS  97   4.107  16.130 -13.906
  715   2HD   LYS  97          HD3       LYS  97   4.054  15.565 -12.223
  716   1HE   LYS  97          HE2       LYS  97   1.822  14.405 -12.910
  717   2HE   LYS  97          HE3       LYS  97   2.345  14.689 -14.578
  718   1HZ   LYS  97          HZ1       LYS  97   3.095  12.537 -13.889
  719   2HZ   LYS  97          HZ2       LYS  97   4.438  13.465 -13.897
  720   3HZ   LYS  97          HZ3       LYS  97   3.688  13.084 -12.471
  721    H    ARG  98           H        ARG  98   1.291  20.317 -13.159
  722    HA   ARG  98           HA       ARG  98  -1.287  19.694 -11.852
  723   1HB   ARG  98          HB2       ARG  98  -0.156  22.422 -12.433
  724   2HB   ARG  98          HB3       ARG  98  -1.892  22.154 -12.624
  725   1HG   ARG  98          HG2       ARG  98  -2.054  21.250 -10.345
  726   2HG   ARG  98          HG3       ARG  98  -0.335  21.580 -10.071
  727   1HD   ARG  98          HD2       ARG  98  -2.424  23.695 -10.790
  728   2HD   ARG  98          HD3       ARG  98  -1.948  23.284  -9.147
  729    HE   ARG  98           HE       ARG  98   0.185  24.158  -9.444
  730   1HH1  ARG  98          HH21      ARG  98  -1.797  24.786 -12.389
  731   2HH1  ARG  98          HH22      ARG  98  -0.775  26.067 -12.911
  732   1HH2  ARG  98          HH11      ARG  98   1.475  25.840 -10.180
  733   2HH2  ARG  98          HH12      ARG  98   1.127  26.675 -11.649
  734    H    GLU  99           H        GLU  99  -3.130  19.895 -13.087
  735    HA   GLU  99           HA       GLU  99  -3.000  20.383 -15.939
  736   1HB   GLU  99          HB2       GLU  99  -2.882  17.708 -15.013
  737   2HB   GLU  99          HB3       GLU  99  -4.595  17.961 -15.363
  738   1HG   GLU  99          HG2       GLU  99  -2.269  18.409 -17.288
  739   2HG   GLU  99          HG3       GLU  99  -3.282  16.965 -17.207
  740    H    HIS 100           H        HIS 100  -5.350  20.728 -16.658
  741    HA   HIS 100           HA       HIS 100  -7.162  21.449 -14.396
  742   1HB   HIS 100          HB2       HIS 100  -6.052  23.405 -16.458
  743   2HB   HIS 100          HB3       HIS 100  -7.336  23.748 -15.302
  744    HD1  HIS 100           HD1      HIS 100  -6.497  23.567 -12.604
  745    HD2  HIS 100           HD2      HIS 100  -3.582  23.905 -15.614
  746    HE1  HIS 100           HE1      HIS 100  -4.396  24.398 -11.458
  747    H    TRP 101           H        TRP 101  -9.106  20.657 -14.939
  748    HA   TRP 101           HA       TRP 101  -9.927  20.532 -17.813
  749   1HB   TRP 101          HB2       TRP 101 -10.844  18.763 -15.546
  750   2HB   TRP 101          HB3       TRP 101 -11.287  18.657 -17.250
  751    HD1  TRP 101           HD1      TRP 101  -8.149  19.146 -18.216
  752    HE1  TRP 101           HE1      TRP 101  -6.454  17.295 -18.060
  753    HE3  TRP 101           HE3      TRP 101 -10.756  15.988 -15.151
  754    HZ2  TRP 101           HZ2      TRP 101  -6.134  14.811 -16.592
  755    HZ3  TRP 101           HZ3      TRP 101  -9.723  13.864 -14.392
  756    HH2  TRP 101           HH2      TRP 101  -7.403  13.280 -15.072
  757    H    GLY 102           H        GLY 102 -12.661  20.307 -17.603
  758   1HA   GLY 102          HA1       GLY 102 -13.468  22.899 -16.335
  759   2HA   GLY 102          HA2       GLY 102 -13.624  22.615 -18.056
  760    H    PHE 103           H        PHE 103 -14.384  20.367 -15.292
  761    HA   PHE 103           HA       PHE 103 -16.927  19.772 -16.618
  762   1HB   PHE 103          HB2       PHE 103 -15.541  18.583 -14.183
  763   2HB   PHE 103          HB3       PHE 103 -17.084  18.033 -14.831
  764    HD1  PHE 103           HD1      PHE 103 -13.453  17.861 -15.263
  765    HD2  PHE 103           HD2      PHE 103 -17.241  17.310 -17.252
  766    HE1  PHE 103           HE1      PHE 103 -12.310  16.676 -17.117
  767    HE2  PHE 103           HE2      PHE 103 -16.113  16.146 -19.087
  768    HZ   PHE 103           HZ       PHE 103 -13.628  15.803 -19.037
  769    H    ASP 104           H        ASP 104 -18.776  20.722 -16.171
  770    HA   ASP 104           HA       ASP 104 -19.223  22.410 -13.828
  771   1HB   ASP 104          HB2       ASP 104 -20.300  22.863 -16.029
  772   2HB   ASP 104          HB3       ASP 104 -21.117  21.296 -15.923
  773    H    ASP 105           H        ASP 105 -20.973  21.866 -12.250
  774    HA   ASP 105           HA       ASP 105 -20.317  19.256 -11.219
  775   1HB   ASP 105          HB2       ASP 105 -20.649  21.398  -9.878
  776   2HB   ASP 105          HB3       ASP 105 -22.382  21.115 -10.044
  777    HA   PRO 106           HA       PRO 106 -23.620  17.397 -13.405
  778   1HB   PRO 106          HB2       PRO 106 -23.578  14.809 -12.371
  779   2HB   PRO 106          HB3       PRO 106 -22.432  15.447 -13.585
  780   1HG   PRO 106          HG2       PRO 106 -22.079  15.221 -10.592
  781   2HG   PRO 106          HG3       PRO 106 -20.906  14.814 -11.887
  782   1HD   PRO 106          HD2       PRO 106 -20.792  17.170 -10.524
  783   2HD   PRO 106          HD3       PRO 106 -20.400  17.084 -12.270
  784    H    ALA 107           H        ALA 107 -23.676  17.214  -9.847
  785    HA   ALA 107           HA       ALA 107 -26.397  16.369  -9.668
  786   1HB   ALA 107          HB1       ALA 107 -24.796  16.147  -7.820
  787   2HB   ALA 107          HB2       ALA 107 -24.705  17.914  -7.665
  788   3HB   ALA 107          HB3       ALA 107 -26.230  17.071  -7.321
  789    H    ARG 108           H        ARG 108 -25.003  19.460 -10.487
  790    HA   ARG 108           HA       ARG 108 -27.534  20.901  -9.878
  791   1HB   ARG 108          HB2       ARG 108 -24.687  21.885 -10.413
  792   2HB   ARG 108          HB3       ARG 108 -26.100  22.931 -10.335
  793   1HG   ARG 108          HG2       ARG 108 -25.357  23.130  -8.198
  794   2HG   ARG 108          HG3       ARG 108 -26.573  21.859  -8.035
  795   1HD   ARG 108          HD2       ARG 108 -24.672  20.172  -8.115
  796   2HD   ARG 108          HD3       ARG 108 -23.543  21.535  -8.085
  797    HE   ARG 108           HE       ARG 108 -25.280  21.920  -5.938
  798   1HH1  ARG 108          HH21      ARG 108 -22.892  19.424  -6.893
  799   2HH1  ARG 108          HH22      ARG 108 -22.596  18.947  -5.241
  800   1HH2  ARG 108          HH11      ARG 108 -24.877  21.185  -3.781
  801   2HH2  ARG 108          HH12      ARG 108 -23.757  19.882  -3.514
  802    H    ALA 109           H        ALA 109 -26.308  19.153 -12.426
  803    HA   ALA 109           HA       ALA 109 -26.878  20.846 -14.628
  804   1HB   ALA 109          HB1       ALA 109 -25.684  18.664 -14.804
  805   2HB   ALA 109          HB2       ALA 109 -27.177  17.819 -14.321
  806   3HB   ALA 109          HB3       ALA 109 -27.120  18.710 -15.856
  807    H    GLN 110           H        GLN 110 -28.854  20.886 -15.866
  808    HA   GLN 110           HA       GLN 110 -31.332  19.943 -14.663
  809   1HB   GLN 110          HB2       GLN 110 -32.232  22.209 -14.210
  810   2HB   GLN 110          HB3       GLN 110 -30.876  21.785 -13.183
  811   1HG   GLN 110          HG2       GLN 110 -29.405  23.133 -14.886
  812   2HG   GLN 110          HG3       GLN 110 -30.943  23.763 -15.482
  813   1HE2  GLN 110          HE22      GLN 110 -28.918  23.358 -12.516
  814   2HE2  GLN 110          HE21      GLN 110 -29.525  24.787 -11.703
  815    H    GLY 111           H        GLY 111 -33.221  20.753 -15.913
  816   1HA   GLY 111          HA1       GLY 111 -33.641  22.030 -18.173
  817   2HA   GLY 111          HA2       GLY 111 -32.662  20.685 -18.812
  818    H    THR 112           H        THR 112 -33.353  18.566 -17.280
  819    HA   THR 112           HA       THR 112 -36.032  18.293 -16.521
  820    HB   THR 112           HB       THR 112 -36.617  18.135 -18.842
  821    HG1  THR 112           HG1      THR 112 -37.581  16.208 -18.808
  822   1HG2  THR 112          HG21      THR 112 -34.490  17.657 -19.928
  823   2HG2  THR 112          HG22      THR 112 -34.436  16.046 -19.179
  824   3HG2  THR 112          HG23      THR 112 -35.681  16.434 -20.382
  825    H    GLU 113           H        GLU 113 -36.259  15.947 -15.670
  826    HA   GLU 113           HA       GLU 113 -33.997  15.431 -14.029
  827   1HB   GLU 113          HB2       GLU 113 -36.254  14.843 -13.351
  828   2HB   GLU 113          HB3       GLU 113 -36.426  13.720 -14.709
  829   1HG   GLU 113          HG2       GLU 113 -34.692  12.262 -13.800
  830   2HG   GLU 113          HG3       GLU 113 -34.333  13.419 -12.512
  831    H    GLU 114           H        GLU 114 -35.115  13.905 -17.046
  832    HA   GLU 114           HA       GLU 114 -33.094  11.895 -17.031
  833   1HB   GLU 114          HB2       GLU 114 -33.734  11.438 -19.336
  834   2HB   GLU 114          HB3       GLU 114 -35.138  11.573 -18.281
  835   1HG   GLU 114          HG2       GLU 114 -35.571  13.861 -19.124
  836   2HG   GLU 114          HG3       GLU 114 -34.150  13.755 -20.170
  837    H    GLU 115           H        GLU 115 -33.042  15.272 -18.060
  838    HA   GLU 115           HA       GLU 115 -30.599  14.955 -19.576
  839   1HB   GLU 115          HB2       GLU 115 -32.079  16.685 -20.292
  840   2HB   GLU 115          HB3       GLU 115 -32.141  17.394 -18.680
  841   1HG   GLU 115          HG2       GLU 115 -30.749  18.692 -20.256
  842   2HG   GLU 115          HG3       GLU 115 -29.895  18.182 -18.810
  843    H    LYS 116           H        LYS 116 -31.564  16.055 -16.295
  844    HA   LYS 116           HA       LYS 116 -28.970  16.692 -15.348
  845   1HB   LYS 116          HB2       LYS 116 -30.881  17.357 -14.075
  846   2HB   LYS 116          HB3       LYS 116 -31.500  15.706 -13.995
  847   1HG   LYS 116          HG2       LYS 116 -29.675  15.013 -12.562
  848   2HG   LYS 116          HG3       LYS 116 -28.923  16.615 -12.643
  849   1HD   LYS 116          HD2       LYS 116 -31.772  16.313 -11.664
  850   2HD   LYS 116          HD3       LYS 116 -30.420  15.846 -10.607
  851   1HE   LYS 116          HE2       LYS 116 -29.449  18.159 -10.977
  852   2HE   LYS 116          HE3       LYS 116 -30.957  18.588 -11.791
  853   1HZ   LYS 116          HZ1       LYS 116 -30.710  17.715  -8.970
  854   2HZ   LYS 116          HZ2       LYS 116 -31.011  19.229  -9.480
  855   3HZ   LYS 116          HZ3       LYS 116 -32.130  18.067  -9.711
  856    H    TRP 117           H        TRP 117 -30.755  13.576 -15.255
  857    HA   TRP 117           HA       TRP 117 -28.609  12.059 -14.158
  858   1HB   TRP 117          HB2       TRP 117 -30.887  11.170 -14.271
  859   2HB   TRP 117          HB3       TRP 117 -30.839  11.176 -16.035
  860    HD1  TRP 117           HD1      TRP 117 -29.390   9.289 -17.241
  861    HE1  TRP 117           HE1      TRP 117 -28.408   7.050 -16.475
  862    HE3  TRP 117           HE3      TRP 117 -29.675   9.971 -12.182
  863    HZ2  TRP 117           HZ2      TRP 117 -27.577   5.843 -14.018
  864    HZ3  TRP 117           HZ3      TRP 117 -28.612   8.342 -10.652
  865    HH2  TRP 117           HH2      TRP 117 -27.558   6.267 -11.553
  866    H    ALA 118           H        ALA 118 -29.472  12.741 -17.614
  867    HA   ALA 118           HA       ALA 118 -27.434  11.178 -18.756
  868   1HB   ALA 118          HB1       ALA 118 -27.685  12.597 -20.740
  869   2HB   ALA 118          HB2       ALA 118 -29.270  12.185 -20.066
  870   3HB   ALA 118          HB3       ALA 118 -28.583  13.805 -19.799
  871    H    PHE 119           H        PHE 119 -27.311  14.555 -17.504
  872    HA   PHE 119           HA       PHE 119 -24.655  15.090 -18.293
  873   1HB   PHE 119          HB2       PHE 119 -26.566  16.592 -17.252
  874   2HB   PHE 119          HB3       PHE 119 -25.777  16.191 -15.737
  875    HD1  PHE 119           HD1      PHE 119 -23.327  16.859 -15.426
  876    HD2  PHE 119           HD2      PHE 119 -25.675  18.170 -18.794
  877    HE1  PHE 119           HE1      PHE 119 -21.794  18.788 -15.734
  878    HE2  PHE 119           HE2      PHE 119 -24.072  20.022 -19.183
  879    HZ   PHE 119           HZ       PHE 119 -22.135  20.336 -17.667
  880    H    PHE 120           H        PHE 120 -25.892  13.318 -15.407
  881    HA   PHE 120           HA       PHE 120 -23.385  13.013 -14.075
  882   1HB   PHE 120          HB2       PHE 120 -25.444  10.804 -14.269
  883   2HB   PHE 120          HB3       PHE 120 -24.210  11.032 -13.072
  884    HD1  PHE 120           HD1      PHE 120 -26.577  10.245 -12.055
  885    HD2  PHE 120           HD2      PHE 120 -25.587  14.289 -13.213
  886    HE1  PHE 120           HE1      PHE 120 -28.297  11.126 -10.508
  887    HE2  PHE 120           HE2      PHE 120 -27.279  15.140 -11.657
  888    HZ   PHE 120           HZ       PHE 120 -28.663  13.578 -10.310
  889    H    GLN 121           H        GLN 121 -25.012  11.107 -16.678
  890    HA   GLN 121           HA       GLN 121 -22.963   9.186 -16.986
  891   1HB   GLN 121          HB2       GLN 121 -24.866  10.035 -19.180
  892   2HB   GLN 121          HB3       GLN 121 -23.988   8.526 -19.033
  893   1HG   GLN 121          HG2       GLN 121 -26.291   9.470 -17.288
  894   2HG   GLN 121          HG3       GLN 121 -26.299   8.156 -18.443
  895   1HE2  GLN 121          HE22      GLN 121 -25.917   8.884 -15.128
  896   2HE2  GLN 121          HE21      GLN 121 -25.169   7.379 -14.638
  897    H    ARG 122           H        ARG 122 -23.436  12.290 -18.723
  898    HA   ARG 122           HA       ARG 122 -21.198  11.969 -20.474
  899   1HB   ARG 122          HB2       ARG 122 -22.479  14.530 -19.409
  900   2HB   ARG 122          HB3       ARG 122 -21.064  14.533 -20.436
  901   1HG   ARG 122          HG2       ARG 122 -22.793  14.943 -21.903
  902   2HG   ARG 122          HG3       ARG 122 -22.351  13.248 -22.188
  903   1HD   ARG 122          HD2       ARG 122 -24.313  12.455 -21.093
  904   2HD   ARG 122          HD3       ARG 122 -24.515  13.972 -20.224
  905    HE   ARG 122           HE       ARG 122 -25.339  13.426 -23.003
  906   1HH1  ARG 122          HH21      ARG 122 -25.166  15.890 -20.451
  907   2HH1  ARG 122          HH22      ARG 122 -26.772  16.505 -20.742
  908   1HH2  ARG 122          HH11      ARG 122 -27.482  14.333 -23.400
  909   2HH2  ARG 122          HH12      ARG 122 -28.096  15.570 -22.335
  910    H    VAL 123           H        VAL 123 -21.390  13.654 -17.256
  911    HA   VAL 123           HA       VAL 123 -18.640  14.345 -17.376
  912    HB   VAL 123           HB       VAL 123 -20.544  14.193 -15.006
  913   1HG1  VAL 123          HG11      VAL 123 -18.256  14.069 -14.114
  914   2HG1  VAL 123          HG12      VAL 123 -17.743  15.408 -15.165
  915   3HG1  VAL 123          HG13      VAL 123 -18.904  15.691 -13.847
  916   1HG2  VAL 123          HG21      VAL 123 -19.470  16.533 -16.670
  917   2HG2  VAL 123          HG22      VAL 123 -21.115  15.888 -16.757
  918   3HG2  VAL 123          HG23      VAL 123 -20.556  16.674 -15.275
  919    H    ARG 124           H        ARG 124 -20.213  11.405 -15.833
  920    HA   ARG 124           HA       ARG 124 -17.709  10.512 -14.843
  921   1HB   ARG 124          HB2       ARG 124 -18.674   8.316 -14.556
  922   2HB   ARG 124          HB3       ARG 124 -19.873   9.514 -14.098
  923   1HG   ARG 124          HG2       ARG 124 -21.056   9.169 -16.187
  924   2HG   ARG 124          HG3       ARG 124 -19.822   8.057 -16.771
  925   1HD   ARG 124          HD2       ARG 124 -20.352   6.537 -14.840
  926   2HD   ARG 124          HD3       ARG 124 -21.684   7.609 -14.427
  927    HE   ARG 124           HE       ARG 124 -22.947   6.658 -16.055
  928   1HH1  ARG 124          HH21      ARG 124 -19.588   5.922 -17.030
  929   2HH1  ARG 124          HH22      ARG 124 -20.088   4.987 -18.390
  930   1HH2  ARG 124          HH11      ARG 124 -23.544   5.516 -17.812
  931   2HH2  ARG 124          HH12      ARG 124 -22.393   4.706 -18.838
  932    H    ASP 125           H        ASP 125 -19.228   9.964 -18.034
  933    HA   ASP 125           HA       ASP 125 -17.298   8.101 -18.950
  934   1HB   ASP 125          HB2       ASP 125 -19.426   8.393 -20.091
  935   2HB   ASP 125          HB3       ASP 125 -19.031  10.068 -20.491
  936    H    GLU 126           H        GLU 126 -17.442  11.695 -19.222
  937    HA   GLU 126           HA       GLU 126 -15.020  11.833 -20.723
  938   1HB   GLU 126          HB2       GLU 126 -16.604  13.898 -19.178
  939   2HB   GLU 126          HB3       GLU 126 -15.129  14.268 -20.097
  940   1HG   GLU 126          HG2       GLU 126 -16.163  13.341 -22.151
  941   2HG   GLU 126          HG3       GLU 126 -17.666  13.066 -21.278
  942    H    ILE 127           H        ILE 127 -15.655  12.099 -17.160
  943    HA   ILE 127           HA       ILE 127 -12.977  12.774 -16.478
  944    HB   ILE 127           HB       ILE 127 -15.365  12.371 -15.063
  945   1HG1  ILE 127          HG12      ILE 127 -14.014  12.919 -13.005
  946   2HG1  ILE 127          HG13      ILE 127 -12.570  12.902 -14.028
  947   1HG2  ILE 127          HG21      ILE 127 -15.027  10.032 -14.761
  948   2HG2  ILE 127          HG22      ILE 127 -13.461  10.326 -13.955
  949   3HG2  ILE 127          HG23      ILE 127 -14.978  10.901 -13.230
  950   1HD1  ILE 127          HD11      ILE 127 -13.611  15.187 -13.712
  951   2HD1  ILE 127          HD12      ILE 127 -13.561  14.692 -15.422
  952   3HD1  ILE 127          HD13      ILE 127 -15.081  14.594 -14.506
  953    H    GLY 128           H        GLY 128 -14.603   9.614 -16.951
  954   1HA   GLY 128          HA1       GLY 128 -12.435   7.962 -16.277
  955   2HA   GLY 128          HA2       GLY 128 -13.779   7.540 -17.365
  956    H    ASN 129           H        ASN 129 -13.419   9.318 -19.483
  957    HA   ASN 129           HA       ASN 129 -11.309   8.107 -20.960
  958   1HB   ASN 129          HB2       ASN 129 -13.081  10.504 -21.482
  959   2HB   ASN 129          HB3       ASN 129 -11.689  10.178 -22.511
  960   1HD2  ASN 129          HD22      ASN 129 -14.700   8.676 -21.301
  961   2HD2  ASN 129          HD21      ASN 129 -14.887   7.583 -22.655
  962    H    ARG 130           H        ARG 130 -11.375  11.204 -19.156
  963    HA   ARG 130           HA       ARG 130  -8.814  12.053 -20.191
  964   1HB   ARG 130          HB2       ARG 130 -10.667  12.972 -18.014
  965   2HB   ARG 130          HB3       ARG 130  -8.967  13.330 -17.788
  966   1HG   ARG 130          HG2       ARG 130  -9.950  15.211 -18.797
  967   2HG   ARG 130          HG3       ARG 130  -8.850  14.492 -19.963
  968   1HD   ARG 130          HD2       ARG 130 -11.852  13.990 -19.982
  969   2HD   ARG 130          HD3       ARG 130 -11.117  15.379 -20.784
  970    HE   ARG 130           HE       ARG 130  -9.688  13.303 -21.854
  971   1HH1  ARG 130          HH21      ARG 130 -13.165  14.008 -21.673
  972   2HH1  ARG 130          HH22      ARG 130 -13.513  13.301 -23.211
  973   1HH2  ARG 130          HH11      ARG 130 -10.097  12.413 -23.766
  974   2HH2  ARG 130          HH12      ARG 130 -11.701  12.329 -24.472
  975    H    LEU 131           H        LEU 131  -9.796  10.170 -17.331
  976    HA   LEU 131           HA       LEU 131  -7.099  10.001 -16.266
  977   1HB   LEU 131          HB2       LEU 131  -9.665   8.438 -15.765
  978   2HB   LEU 131          HB3       LEU 131  -8.187   8.190 -14.829
  979    HG   LEU 131           HG       LEU 131  -9.435  10.967 -15.102
  980   1HD1  LEU 131          HD11      LEU 131 -10.094   8.875 -13.016
  981   2HD1  LEU 131          HD12      LEU 131 -10.566  10.590 -12.963
  982   3HD1  LEU 131          HD13      LEU 131 -11.177   9.545 -14.255
  983   1HD2  LEU 131          HD21      LEU 131  -7.111  10.884 -14.294
  984   2HD2  LEU 131          HD22      LEU 131  -8.231  11.418 -13.049
  985   3HD2  LEU 131          HD23      LEU 131  -7.587   9.754 -13.014
  986    H    LYS 132           H        LYS 132  -9.086   7.869 -18.334
  987    HA   LYS 132           HA       LYS 132  -7.171   5.833 -18.726
  988   1HB   LYS 132          HB2       LYS 132  -9.395   5.499 -19.425
  989   2HB   LYS 132          HB3       LYS 132  -9.460   6.977 -20.346
  990   1HG   LYS 132          HG2       LYS 132  -7.557   4.809 -21.250
  991   2HG   LYS 132          HG3       LYS 132  -9.296   4.618 -21.497
  992   1HD   LYS 132          HD2       LYS 132  -9.296   6.929 -22.613
  993   2HD   LYS 132          HD3       LYS 132  -7.521   6.810 -22.633
  994   1HE   LYS 132          HE2       LYS 132  -7.714   4.635 -23.851
  995   2HE   LYS 132          HE3       LYS 132  -9.475   4.816 -23.847
  996   1HZ   LYS 132          HZ1       LYS 132  -9.212   6.821 -25.188
  997   2HZ   LYS 132          HZ2       LYS 132  -7.582   6.657 -25.198
  998   3HZ   LYS 132          HZ3       LYS 132  -8.522   5.550 -25.934
  999    H    GLU 133           H        GLU 133  -7.614   8.931 -20.522
 1000    HA   GLU 133           HA       GLU 133  -5.363   8.594 -22.227
 1001   1HB   GLU 133          HB2       GLU 133  -6.704  11.070 -21.073
 1002   2HB   GLU 133          HB3       GLU 133  -5.226  11.176 -22.026
 1003   1HG   GLU 133          HG2       GLU 133  -6.325  10.110 -23.938
 1004   2HG   GLU 133          HG3       GLU 133  -7.835   9.979 -23.024
 1005    H    PHE 134           H        PHE 134  -5.443  10.198 -18.930
 1006    HA   PHE 134           HA       PHE 134  -2.699  10.755 -19.048
 1007   1HB   PHE 134          HB2       PHE 134  -4.379  11.542 -17.298
 1008   2HB   PHE 134          HB3       PHE 134  -4.098  10.012 -16.460
 1009    HD1  PHE 134           HD1      PHE 134  -2.959  13.388 -16.896
 1010    HD2  PHE 134           HD2      PHE 134  -1.541   9.416 -15.972
 1011    HE1  PHE 134           HE1      PHE 134  -0.785  14.320 -16.159
 1012    HE2  PHE 134           HE2      PHE 134   0.649  10.329 -15.344
 1013    HZ   PHE 134           HZ       PHE 134   1.046  12.802 -15.445
 1014    H    ALA 135           H        ALA 135  -4.330   7.796 -17.972
 1015    HA   ALA 135           HA       ALA 135  -2.013   6.522 -16.953
 1016   1HB   ALA 135          HB1       ALA 135  -4.596   5.294 -18.042
 1017   2HB   ALA 135          HB2       ALA 135  -3.432   4.497 -16.962
 1018   3HB   ALA 135          HB3       ALA 135  -4.371   5.899 -16.394
 1019    H    GLU 136           H        GLU 136  -3.546   6.471 -20.168
 1020    HA   GLU 136           HA       GLU 136  -1.791   4.404 -21.172
 1021   1HB   GLU 136          HB2       GLU 136  -3.939   6.137 -22.443
 1022   2HB   GLU 136          HB3       GLU 136  -3.005   4.966 -23.363
 1023   1HG   GLU 136          HG2       GLU 136  -4.675   4.219 -20.923
 1024   2HG   GLU 136          HG3       GLU 136  -5.252   4.144 -22.583
 1025    H    THR 137           H        THR 137  -2.034   7.926 -21.504
 1026    HA   THR 137           HA       THR 137  -0.017   7.924 -23.552
 1027    HB   THR 137           HB       THR 137  -0.559  10.250 -23.828
 1028    HG1  THR 137           HG1      THR 137  -2.370   9.947 -21.694
 1029   1HG2  THR 137          HG21      THR 137  -2.932  10.040 -24.470
 1030   2HG2  THR 137          HG22      THR 137  -2.002   8.604 -24.941
 1031   3HG2  THR 137          HG23      THR 137  -3.071   8.536 -23.533
 1032    H    GLY 138           H        GLY 138  -0.177   8.502 -20.098
 1033   1HA   GLY 138          HA1       GLY 138   1.374   9.240 -18.578
 1034   2HA   GLY 138          HA2       GLY 138   2.659   8.996 -19.786
 1035    H    LYS 139           H        LYS 139  -0.290  10.949 -19.896
 1036    HA   LYS 139           HA       LYS 139   0.311  12.915 -21.520
 1037   1HB   LYS 139          HB2       LYS 139  -1.860  12.504 -20.289
 1038   2HB   LYS 139          HB3       LYS 139  -1.190  13.410 -18.939
 1039   1HG   LYS 139          HG2       LYS 139  -2.528  14.958 -20.066
 1040   2HG   LYS 139          HG3       LYS 139  -0.882  15.376 -20.515
 1041   1HD   LYS 139          HD2       LYS 139  -2.263  15.547 -22.467
 1042   2HD   LYS 139          HD3       LYS 139  -1.219  14.141 -22.703
 1043   1HE   LYS 139          HE2       LYS 139  -3.060  12.621 -22.108
 1044   2HE   LYS 139          HE3       LYS 139  -4.084  13.994 -21.657
 1045   1HZ   LYS 139          HZ1       LYS 139  -3.969  14.708 -24.005
 1046   2HZ   LYS 139          HZ2       LYS 139  -3.169  13.334 -24.389
 1047   3HZ   LYS 139          HZ3       LYS 139  -4.714  13.273 -23.826
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1   2.373  -0.597  -2.149
    2   2H    MET   1           H2       MET   1   1.528  -1.700  -1.270
    3   3H    MET   1           H3       MET   1   0.746  -0.697  -2.306
    4    HA   MET   1           HA       MET   1   0.402  -0.006  -0.050
    5   1HB   MET   1          HB2       MET   1   3.432   0.316  -0.013
    6   2HB   MET   1          HB3       MET   1   2.340   1.077   1.141
    7   1HG   MET   1          HG2       MET   1   2.707  -1.907   0.706
    8   2HG   MET   1          HG3       MET   1   3.278  -0.966   2.072
    9   1HE   MET   1          HE1       MET   1   1.838  -0.126   4.060
   10   2HE   MET   1          HE2       MET   1   0.845   0.877   2.973
   11   3HE   MET   1          HE3       MET   1   0.065  -0.217   4.134
   12    H    GLU   2           H        GLU   2   3.113   1.868  -1.621
   13    HA   GLU   2           HA       GLU   2   1.306   3.571  -3.048
   14   1HB   GLU   2          HB2       GLU   2   1.919   5.665  -1.913
   15   2HB   GLU   2          HB3       GLU   2   1.041   4.603  -0.822
   16   1HG   GLU   2          HG2       GLU   2   3.196   3.915   0.242
   17   2HG   GLU   2          HG3       GLU   2   4.066   4.998  -0.845
   18    H    ASN   3           H        ASN   3   2.804   5.375  -4.095
   19    HA   ASN   3           HA       ASN   3   5.640   4.918  -4.044
   20   1HB   ASN   3          HB2       ASN   3   5.606   3.227  -5.575
   21   2HB   ASN   3          HB3       ASN   3   4.069   3.685  -6.260
   22   1HD2  ASN   3          HD21      ASN   3   3.988   5.094  -8.039
   23   2HD2  ASN   3          HD22      ASN   3   5.439   5.625  -8.884
   24    H    LYS   4           H        LYS   4   2.854   6.382  -5.737
   25    HA   LYS   4           HA       LYS   4   4.037   9.004  -5.158
   26   1HB   LYS   4          HB2       LYS   4   3.764   9.910  -7.369
   27   2HB   LYS   4          HB3       LYS   4   4.863   8.546  -7.401
   28   1HG   LYS   4          HG2       LYS   4   2.926   7.125  -8.270
   29   2HG   LYS   4          HG3       LYS   4   1.988   8.623  -8.412
   30   1HD   LYS   4          HD2       LYS   4   3.735   9.571  -9.906
   31   2HD   LYS   4          HD3       LYS   4   4.700   8.091  -9.721
   32   1HE   LYS   4          HE2       LYS   4   2.768   6.785 -10.690
   33   2HE   LYS   4          HE3       LYS   4   1.945   8.323 -10.985
   34   1HZ   LYS   4          HZ1       LYS   4   4.539   7.527 -12.183
   35   2HZ   LYS   4          HZ2       LYS   4   3.106   7.563 -12.954
   36   3HZ   LYS   4          HZ3       LYS   4   3.785   8.954 -12.443
   37    H    ILE   5           H        ILE   5   2.192  10.734  -5.964
   38    HA   ILE   5           HA       ILE   5  -0.377   9.713  -4.844
   39    HB   ILE   5           HB       ILE   5   1.339  12.034  -3.888
   40   1HG1  ILE   5          HG12      ILE   5   0.182   9.667  -2.362
   41   2HG1  ILE   5          HG13      ILE   5   1.844   9.790  -2.934
   42   1HG2  ILE   5          HG21      ILE   5  -0.991  12.861  -4.028
   43   2HG2  ILE   5          HG22      ILE   5  -1.558  11.440  -3.139
   44   3HG2  ILE   5          HG23      ILE   5  -0.528  12.670  -2.356
   45   1HD1  ILE   5          HD11      ILE   5   1.877  10.355  -0.633
   46   2HD1  ILE   5          HD12      ILE   5   2.138  11.860  -1.539
   47   3HD1  ILE   5          HD13      ILE   5   0.553  11.512  -0.799
   48    H    ILE   6           H        ILE   6  -2.170  10.647  -5.727
   49    HA   ILE   6           HA       ILE   6  -1.855  12.984  -7.524
   50    HB   ILE   6           HB       ILE   6  -2.051  11.192  -9.024
   51   1HG1  ILE   6          HG12      ILE   6  -4.811  12.445  -8.699
   52   2HG1  ILE   6          HG13      ILE   6  -3.414  13.180  -9.491
   53   1HG2  ILE   6          HG21      ILE   6  -3.789   9.451  -8.982
   54   2HG2  ILE   6          HG22      ILE   6  -2.833   9.386  -7.518
   55   3HG2  ILE   6          HG23      ILE   6  -4.443  10.131  -7.478
   56   1HD1  ILE   6          HD11      ILE   6  -3.439  11.214 -11.125
   57   2HD1  ILE   6          HD12      ILE   6  -4.997  10.748 -10.406
   58   3HD1  ILE   6          HD13      ILE   6  -4.832  12.312 -11.211
   59    H    TYR   7           H        TYR   7  -3.274  14.593  -7.003
   60    HA   TYR   7           HA       TYR   7  -5.311  14.049  -4.891
   61   1HB   TYR   7          HB2       TYR   7  -3.154  15.017  -4.085
   62   2HB   TYR   7          HB3       TYR   7  -3.413  16.416  -5.114
   63    HD1  TYR   7           HD1      TYR   7  -5.428  14.426  -2.615
   64    HD2  TYR   7           HD2      TYR   7  -4.082  18.306  -3.901
   65    HE1  TYR   7           HE1      TYR   7  -6.441  15.435  -0.592
   66    HE2  TYR   7           HE2      TYR   7  -5.080  19.322  -1.859
   67    HH   TYR   7           HH       TYR   7  -6.704  17.392   0.660
   68    H    PHE   8           H        PHE   8  -7.214  14.193  -5.973
   69    HA   PHE   8           HA       PHE   8  -7.606  16.078  -8.186
   70   1HB   PHE   8          HB2       PHE   8  -9.528  14.289  -6.620
   71   2HB   PHE   8          HB3       PHE   8  -9.998  15.299  -7.981
   72    HD1  PHE   8           HD1      PHE   8  -8.668  12.086  -7.021
   73    HD2  PHE   8           HD2      PHE   8  -8.805  14.959 -10.231
   74    HE1  PHE   8           HE1      PHE   8  -7.898  10.353  -8.629
   75    HE2  PHE   8           HE2      PHE   8  -8.005  13.227 -11.821
   76    HZ   PHE   8           HZ       PHE   8  -7.528  10.924 -11.000
   77    H    LEU   9           H        LEU   9  -8.794  17.964  -8.154
   78    HA   LEU   9           HA       LEU   9  -9.780  18.992  -5.568
   79   1HB   LEU   9          HB2       LEU   9  -7.392  19.642  -5.875
   80   2HB   LEU   9          HB3       LEU   9  -7.763  20.351  -7.433
   81    HG   LEU   9           HG       LEU   9  -7.411  21.942  -5.541
   82   1HD1  LEU   9          HD11      LEU   9 -10.235  22.335  -6.530
   83   2HD1  LEU   9          HD12      LEU   9  -9.001  23.538  -6.154
   84   3HD1  LEU   9          HD13      LEU   9  -8.825  22.532  -7.597
   85   1HD2  LEU   9          HD21      LEU   9  -8.505  20.685  -3.744
   86   2HD2  LEU   9          HD22      LEU   9  -9.255  22.295  -3.909
   87   3HD2  LEU   9          HD23      LEU   9 -10.075  20.879  -4.536
   88    H    CYS  10           H        CYS  10 -11.750  20.053  -5.891
   89    HA   CYS  10           HA       CYS  10 -12.174  21.437  -8.404
   90   1HB   CYS  10          HB2       CYS  10 -12.965  18.887  -8.591
   91   2HB   CYS  10          HB3       CYS  10 -14.410  19.521  -7.779
   92    HG   CYS  10           HG       CYS  10 -14.609  19.449 -10.471
   93    H    THR  11           H        THR  11 -14.767  22.292  -8.257
   94    HA   THR  11           HA       THR  11 -14.581  24.046  -6.016
   95    HB   THR  11           HB       THR  11 -16.884  24.789  -6.982
   96    HG1  THR  11           HG1      THR  11 -17.157  24.111  -9.117
   97   1HG2  THR  11          HG21      THR  11 -14.424  24.882  -8.777
   98   2HG2  THR  11          HG22      THR  11 -15.711  26.090  -8.634
   99   3HG2  THR  11          HG23      THR  11 -14.578  25.839  -7.293
  100    H    GLY  12           H        GLY  12 -15.800  20.890  -6.001
  101   1HA   GLY  12          HA1       GLY  12 -16.521  21.251  -3.275
  102   2HA   GLY  12          HA2       GLY  12 -17.962  20.880  -4.244
  103    H    ASN  13           H        ASN  13 -15.933  19.385  -2.296
  104    HA   ASN  13           HA       ASN  13 -14.928  17.207  -3.938
  105   1HB   ASN  13          HB2       ASN  13 -13.788  18.174  -1.887
  106   2HB   ASN  13          HB3       ASN  13 -15.021  17.399  -0.907
  107   1HD2  ASN  13          HD22      ASN  13 -12.697  16.547  -0.221
  108   2HD2  ASN  13          HD21      ASN  13 -12.262  14.996  -0.893
  109    H    SER  14           H        SER  14 -17.740  17.384  -4.171
  110    HA   SER  14           HA       SER  14 -18.760  15.038  -2.638
  111   1HB   SER  14          HB2       SER  14 -20.949  16.299  -2.951
  112   2HB   SER  14          HB3       SER  14 -19.760  17.007  -1.853
  113    HG   SER  14           HG       SER  14 -20.658  18.543  -3.207
  114    H    CYS  15           H        CYS  15 -18.243  16.366  -5.827
  115    HA   CYS  15           HA       CYS  15 -19.596  13.992  -7.012
  116   1HB   CYS  15          HB2       CYS  15 -19.750  16.841  -8.085
  117   2HB   CYS  15          HB3       CYS  15 -20.462  15.398  -8.818
  118    HG   CYS  15           HG       CYS  15 -22.121  17.195  -7.634
  119    H    ARG  16           H        ARG  16 -17.654  16.797  -8.284
  120    HA   ARG  16           HA       ARG  16 -16.619  15.306 -10.430
  121   1HB   ARG  16          HB2       ARG  16 -15.762  17.894  -9.083
  122   2HB   ARG  16          HB3       ARG  16 -14.684  17.145 -10.241
  123   1HG   ARG  16          HG2       ARG  16 -15.907  18.752 -11.438
  124   2HG   ARG  16          HG3       ARG  16 -16.422  17.170 -11.975
  125   1HD   ARG  16          HD2       ARG  16 -18.278  18.766 -11.795
  126   2HD   ARG  16          HD3       ARG  16 -18.499  17.347 -10.776
  127    HE   ARG  16           HE       ARG  16 -18.815  18.781  -9.033
  128   1HH1  ARG  16          HH21      ARG  16 -16.967  20.749 -11.387
  129   2HH1  ARG  16          HH22      ARG  16 -16.800  22.042 -10.234
  130   1HH2  ARG  16          HH11      ARG  16 -18.744  20.503  -7.753
  131   2HH2  ARG  16          HH12      ARG  16 -17.802  21.930  -8.178
  132    H    SER  17           H        SER  17 -14.724  16.241  -7.490
  133    HA   SER  17           HA       SER  17 -12.506  14.698  -8.173
  134   1HB   SER  17          HB2       SER  17 -13.362  15.367  -5.351
  135   2HB   SER  17          HB3       SER  17 -11.715  15.234  -6.010
  136    HG   SER  17           HG       SER  17 -12.403  17.398  -5.728
  137    H    GLN  18           H        GLN  18 -15.357  13.805  -6.189
  138    HA   GLN  18           HA       GLN  18 -14.358  11.334  -5.237
  139   1HB   GLN  18          HB2       GLN  18 -17.230  12.225  -5.819
  140   2HB   GLN  18          HB3       GLN  18 -16.789  10.802  -4.885
  141   1HG   GLN  18          HG2       GLN  18 -16.052  13.649  -4.108
  142   2HG   GLN  18          HG3       GLN  18 -17.437  12.761  -3.490
  143   1HE2  GLN  18          HE22      GLN  18 -15.387  13.830  -1.856
  144   2HE2  GLN  18          HE21      GLN  18 -14.601  12.469  -1.037
  145    H    MET  19           H        MET  19 -16.296  12.045  -8.220
  146    HA   MET  19           HA       MET  19 -16.387   9.275  -9.044
  147   1HB   MET  19          HB2       MET  19 -16.696  11.839 -10.673
  148   2HB   MET  19          HB3       MET  19 -16.987  10.198 -11.265
  149   1HG   MET  19          HG2       MET  19 -18.603   9.994  -9.217
  150   2HG   MET  19          HG3       MET  19 -18.553  11.747  -9.206
  151   1HE   MET  19          HE1       MET  19 -19.240  13.241 -11.343
  152   2HE   MET  19          HE2       MET  19 -18.345  12.248 -12.519
  153   3HE   MET  19          HE3       MET  19 -20.069  12.588 -12.778
  154    H    ALA  20           H        ALA  20 -14.178  12.031  -9.883
  155    HA   ALA  20           HA       ALA  20 -12.617  10.660 -11.771
  156   1HB   ALA  20          HB1       ALA  20 -10.905  12.330 -11.315
  157   2HB   ALA  20          HB2       ALA  20 -12.495  13.113 -11.299
  158   3HB   ALA  20          HB3       ALA  20 -11.664  12.751  -9.771
  159    H    GLU  21           H        GLU  21 -12.230  10.825  -8.218
  160    HA   GLU  21           HA       GLU  21  -9.873   9.259  -8.021
  161   1HB   GLU  21          HB2       GLU  21 -10.545  10.563  -6.201
  162   2HB   GLU  21          HB3       GLU  21 -12.167   9.845  -6.121
  163   1HG   GLU  21          HG2       GLU  21 -11.207   7.720  -5.403
  164   2HG   GLU  21          HG3       GLU  21  -9.577   8.380  -5.502
  165    H    GLY  22           H        GLY  22 -13.344   8.274  -7.986
  166   1HA   GLY  22          HA1       GLY  22 -12.967   5.528  -7.565
  167   2HA   GLY  22          HA2       GLY  22 -14.322   6.265  -8.423
  168    H    TRP  23           H        TRP  23 -13.054   7.315 -10.783
  169    HA   TRP  23           HA       TRP  23 -12.592   4.832 -12.243
  170   1HB   TRP  23          HB2       TRP  23 -12.149   7.727 -13.040
  171   2HB   TRP  23          HB3       TRP  23 -11.928   6.363 -14.118
  172    HD1  TRP  23           HD1      TRP  23 -14.543   8.550 -12.572
  173    HE1  TRP  23           HE1      TRP  23 -16.765   8.270 -13.734
  174    HE3  TRP  23           HE3      TRP  23 -13.426   4.480 -15.487
  175    HZ2  TRP  23           HZ2      TRP  23 -17.909   6.615 -15.758
  176    HZ3  TRP  23           HZ3      TRP  23 -15.105   3.643 -17.110
  177    HH2  TRP  23           HH2      TRP  23 -17.356   4.732 -17.261
  178    H    ALA  24           H        ALA  24 -10.448   7.417 -10.940
  179    HA   ALA  24           HA       ALA  24  -8.171   6.616 -12.374
  180   1HB   ALA  24          HB1       ALA  24  -6.903   7.968 -10.740
  181   2HB   ALA  24          HB2       ALA  24  -8.397   8.800 -11.190
  182   3HB   ALA  24          HB3       ALA  24  -8.291   7.964  -9.631
  183    H    LYS  25           H        LYS  25  -9.437   5.467  -9.240
  184    HA   LYS  25           HA       LYS  25  -7.228   3.868  -8.480
  185   1HB   LYS  25          HB2       LYS  25 -10.216   3.558  -8.045
  186   2HB   LYS  25          HB3       LYS  25  -9.048   2.429  -7.346
  187   1HG   LYS  25          HG2       LYS  25  -7.993   4.120  -6.023
  188   2HG   LYS  25          HG3       LYS  25  -8.811   5.428  -6.884
  189   1HD   LYS  25          HD2       LYS  25 -11.005   4.628  -6.047
  190   2HD   LYS  25          HD3       LYS  25 -10.183   3.350  -5.115
  191   1HE   LYS  25          HE2       LYS  25  -8.984   5.017  -3.788
  192   2HE   LYS  25          HE3       LYS  25  -9.544   6.311  -4.851
  193   1HZ   LYS  25          HZ1       LYS  25 -10.904   6.428  -3.012
  194   2HZ   LYS  25          HZ2       LYS  25 -11.850   5.714  -4.119
  195   3HZ   LYS  25          HZ3       LYS  25 -11.173   4.789  -2.923
  196    H    GLN  26           H        GLN  26  -9.687   3.264 -10.972
  197    HA   GLN  26           HA       GLN  26  -8.933   0.476 -11.355
  198   1HB   GLN  26          HB2       GLN  26 -10.247   2.298 -13.381
  199   2HB   GLN  26          HB3       GLN  26 -10.191   0.544 -13.370
  200   1HG   GLN  26          HG2       GLN  26 -11.609   0.571 -11.272
  201   2HG   GLN  26          HG3       GLN  26 -11.778   2.332 -11.476
  202   1HE2  GLN  26          HE22      GLN  26 -12.100   2.815 -14.043
  203   2HE2  GLN  26          HE21      GLN  26 -13.485   1.976 -14.724
  204    H    TYR  27           H        TYR  27  -8.449   3.474 -13.223
  205    HA   TYR  27           HA       TYR  27  -6.784   2.238 -15.164
  206   1HB   TYR  27          HB2       TYR  27  -7.191   5.176 -14.476
  207   2HB   TYR  27          HB3       TYR  27  -6.287   4.617 -15.873
  208    HD1  TYR  27           HD1      TYR  27  -7.551   2.794 -17.392
  209    HD2  TYR  27           HD2      TYR  27  -9.461   5.736 -14.879
  210    HE1  TYR  27           HE1      TYR  27  -9.593   2.650 -18.784
  211    HE2  TYR  27           HE2      TYR  27 -11.481   5.641 -16.302
  212    HH   TYR  27           HH       TYR  27 -12.514   4.642 -18.147
  213    H    LEU  28           H        LEU  28  -5.857   4.081 -12.251
  214    HA   LEU  28           HA       LEU  28  -3.075   4.265 -13.183
  215   1HB   LEU  28          HB2       LEU  28  -4.364   5.293 -10.627
  216   2HB   LEU  28          HB3       LEU  28  -2.785   5.707 -11.251
  217    HG   LEU  28           HG       LEU  28  -5.456   6.487 -12.443
  218   1HD1  LEU  28          HD11      LEU  28  -4.699   8.751 -11.987
  219   2HD1  LEU  28          HD12      LEU  28  -4.588   7.787 -10.501
  220   3HD1  LEU  28          HD13      LEU  28  -3.121   8.155 -11.426
  221   1HD2  LEU  28          HD21      LEU  28  -3.981   5.961 -14.338
  222   2HD2  LEU  28          HD22      LEU  28  -4.239   7.689 -14.184
  223   3HD2  LEU  28          HD23      LEU  28  -2.700   6.978 -13.638
  224    H    GLY  29           H        GLY  29  -4.857   2.688 -10.558
  225   1HA   GLY  29          HA1       GLY  29  -4.387   0.688  -9.493
  226   2HA   GLY  29          HA2       GLY  29  -2.861   0.567 -10.373
  227    H    ASP  30           H        ASP  30  -2.597  -0.209  -7.938
  228    HA   ASP  30           HA       ASP  30  -2.522   1.676  -5.848
  229   1HB   ASP  30          HB2       ASP  30  -2.801  -0.815  -5.666
  230   2HB   ASP  30          HB3       ASP  30  -1.069  -0.989  -5.981
  231    H    GLU  31           H        GLU  31  -0.249   1.272  -8.326
  232    HA   GLU  31           HA       GLU  31   2.182   2.096  -7.083
  233   1HB   GLU  31          HB2       GLU  31   1.929   1.053  -9.325
  234   2HB   GLU  31          HB3       GLU  31   1.127   2.510  -9.918
  235   1HG   GLU  31          HG2       GLU  31   3.161   3.807  -9.663
  236   2HG   GLU  31          HG3       GLU  31   3.956   2.487  -8.792
  237    H    TRP  32           H        TRP  32  -0.792   3.710  -7.394
  238    HA   TRP  32           HA       TRP  32   0.463   6.315  -6.734
  239   1HB   TRP  32          HB2       TRP  32  -2.197   5.941  -8.150
  240   2HB   TRP  32          HB3       TRP  32  -1.358   7.440  -7.823
  241    HD1  TRP  32           HD1      TRP  32  -0.656   4.239  -9.913
  242    HE1  TRP  32           HE1      TRP  32  -0.075   4.934 -12.288
  243    HE3  TRP  32           HE3      TRP  32  -0.691   9.319  -9.302
  244    HZ2  TRP  32           HZ2      TRP  32   0.237   7.347 -13.781
  245    HZ3  TRP  32           HZ3      TRP  32  -0.348  10.805 -11.240
  246    HH2  TRP  32           HH2      TRP  32   0.106   9.812 -13.521
  247    H    LYS  33           H        LYS  33  -0.592   7.337  -4.977
  248    HA   LYS  33           HA       LYS  33  -2.901   5.877  -3.787
  249   1HB   LYS  33          HB2       LYS  33  -0.693   6.571  -2.370
  250   2HB   LYS  33          HB3       LYS  33  -1.542   8.121  -2.331
  251   1HG   LYS  33          HG2       LYS  33  -2.286   7.078  -0.400
  252   2HG   LYS  33          HG3       LYS  33  -3.610   6.769  -1.511
  253   1HD   LYS  33          HD2       LYS  33  -1.399   4.842  -0.667
  254   2HD   LYS  33          HD3       LYS  33  -3.069   4.830  -0.109
  255   1HE   LYS  33          HE2       LYS  33  -3.822   4.268  -2.447
  256   2HE   LYS  33          HE3       LYS  33  -2.125   4.214  -2.942
  257   1HZ   LYS  33          HZ1       LYS  33  -1.769   2.463  -1.302
  258   2HZ   LYS  33          HZ2       LYS  33  -3.380   2.426  -0.945
  259   3HZ   LYS  33          HZ3       LYS  33  -2.817   2.001  -2.435
  260    H    VAL  34           H        VAL  34  -4.832   6.956  -3.630
  261    HA   VAL  34           HA       VAL  34  -4.986   9.379  -5.356
  262    HB   VAL  34           HB       VAL  34  -7.022   7.125  -5.206
  263   1HG1  VAL  34          HG11      VAL  34  -6.398   9.026  -7.491
  264   2HG1  VAL  34          HG12      VAL  34  -7.802   7.959  -7.303
  265   3HG1  VAL  34          HG13      VAL  34  -7.615   9.369  -6.244
  266   1HG2  VAL  34          HG21      VAL  34  -5.025   5.941  -5.935
  267   2HG2  VAL  34          HG22      VAL  34  -6.077   6.195  -7.328
  268   3HG2  VAL  34          HG23      VAL  34  -4.646   7.225  -7.111
  269    H    TYR  35           H        TYR  35  -6.034  11.075  -4.403
  270    HA   TYR  35           HA       TYR  35  -8.181  10.500  -2.497
  271   1HB   TYR  35          HB2       TYR  35  -6.519  12.770  -1.602
  272   2HB   TYR  35          HB3       TYR  35  -7.441  11.624  -0.685
  273    HD1  TYR  35           HD1      TYR  35  -6.373   9.398  -0.028
  274    HD2  TYR  35           HD2      TYR  35  -4.169  12.585  -1.924
  275    HE1  TYR  35           HE1      TYR  35  -4.263   8.493   0.904
  276    HE2  TYR  35           HE2      TYR  35  -2.083  11.744  -0.934
  277    HH   TYR  35           HH       TYR  35  -1.955   8.835   1.166
  278    H    SER  36           H        SER  36  -9.375  12.548  -2.018
  279    HA   SER  36           HA       SER  36  -9.385  14.468  -4.296
  280   1HB   SER  36          HB2       SER  36 -11.703  13.042  -2.894
  281   2HB   SER  36          HB3       SER  36 -11.857  14.303  -4.115
  282    HG   SER  36           HG       SER  36 -10.886  11.678  -4.327
  283    H    ALA  37           H        ALA  37  -9.779  16.563  -3.734
  284    HA   ALA  37           HA       ALA  37 -11.020  17.194  -1.138
  285   1HB   ALA  37          HB1       ALA  37  -8.562  18.611  -2.145
  286   2HB   ALA  37          HB2       ALA  37  -9.512  18.876  -0.645
  287   3HB   ALA  37          HB3       ALA  37  -8.621  17.379  -0.841
  288    H    GLY  38           H        GLY  38 -11.322  19.829  -1.346
  289   1HA   GLY  38          HA1       GLY  38 -12.080  20.667  -3.986
  290   2HA   GLY  38          HA2       GLY  38 -13.464  20.285  -2.961
  291    H    ILE  39           H        ILE  39 -13.119  22.844  -3.892
  292    HA   ILE  39           HA       ILE  39 -11.950  24.711  -2.092
  293    HB   ILE  39           HB       ILE  39 -14.314  24.680  -3.975
  294   1HG1  ILE  39          HG12      ILE  39 -13.160  26.501  -5.094
  295   2HG1  ILE  39          HG13      ILE  39 -11.979  26.607  -3.791
  296   1HG2  ILE  39          HG21      ILE  39 -13.806  27.033  -2.132
  297   2HG2  ILE  39          HG22      ILE  39 -14.842  27.044  -3.579
  298   3HG2  ILE  39          HG23      ILE  39 -15.275  26.028  -2.213
  299   1HD1  ILE  39          HD11      ILE  39 -12.307  24.258  -5.698
  300   2HD1  ILE  39          HD12      ILE  39 -11.091  25.528  -5.822
  301   3HD1  ILE  39          HD13      ILE  39 -11.035  24.418  -4.451
  302    H    GLU  40           H        GLU  40 -15.003  22.889  -1.994
  303    HA   GLU  40           HA       GLU  40 -14.917  23.024   0.931
  304   1HB   GLU  40          HB2       GLU  40 -17.230  23.618   1.209
  305   2HB   GLU  40          HB3       GLU  40 -16.389  24.888   0.333
  306   1HG   GLU  40          HG2       GLU  40 -17.344  24.035  -1.818
  307   2HG   GLU  40          HG3       GLU  40 -18.195  22.767  -0.935
  308    H    ALA  41           H        ALA  41 -16.894  21.524   1.706
  309    HA   ALA  41           HA       ALA  41 -17.344  19.175  -0.021
  310   1HB   ALA  41          HB1       ALA  41 -16.634  17.696   1.876
  311   2HB   ALA  41          HB2       ALA  41 -15.276  18.622   1.199
  312   3HB   ALA  41          HB3       ALA  41 -16.023  19.111   2.739
  313    H    HIS  42           H        HIS  42 -19.100  17.865   0.910
  314    HA   HIS  42           HA       HIS  42 -20.498  18.881   3.259
  315   1HB   HIS  42          HB2       HIS  42 -22.692  19.057   2.166
  316   2HB   HIS  42          HB3       HIS  42 -21.558  20.280   1.630
  317    HD1  HIS  42           HD1      HIS  42 -23.361  17.148   0.272
  318    HD2  HIS  42           HD2      HIS  42 -21.055  20.449  -0.953
  319    HE1  HIS  42           HE1      HIS  42 -23.538  17.246  -2.260
  320    H    GLY  43           H        GLY  43 -20.227  16.402   0.659
  321   1HA   GLY  43          HA1       GLY  43 -20.012  14.268   2.382
  322   2HA   GLY  43          HA2       GLY  43 -21.745  14.405   2.049
  323    H    LEU  44           H        LEU  44 -20.635  12.152   1.191
  324    HA   LEU  44           HA       LEU  44 -19.833  12.184  -1.621
  325   1HB   LEU  44          HB2       LEU  44 -20.555  10.157   0.453
  326   2HB   LEU  44          HB3       LEU  44 -21.018   9.740  -1.182
  327    HG   LEU  44           HG       LEU  44 -18.802   8.922  -0.432
  328   1HD1  LEU  44          HD11      LEU  44 -19.321   8.810  -2.706
  329   2HD1  LEU  44          HD12      LEU  44 -18.961  10.540  -2.983
  330   3HD1  LEU  44          HD13      LEU  44 -17.664   9.384  -2.600
  331   1HD2  LEU  44          HD21      LEU  44 -17.975  10.911   0.753
  332   2HD2  LEU  44          HD22      LEU  44 -16.841  10.366  -0.494
  333   3HD2  LEU  44          HD23      LEU  44 -17.840  11.791  -0.785
  334    H    ASN  45           H        ASN  45 -21.266  13.138  -3.087
  335    HA   ASN  45           HA       ASN  45 -24.004  13.510  -2.277
  336   1HB   ASN  45          HB2       ASN  45 -22.608  15.098  -3.709
  337   2HB   ASN  45          HB3       ASN  45 -22.847  13.972  -5.052
  338   1HD2  ASN  45          HD22      ASN  45 -24.750  14.245  -6.209
  339   2HD2  ASN  45          HD21      ASN  45 -26.174  15.080  -5.608
  340    HA   PRO  46           HA       PRO  46 -25.130   9.481  -3.454
  341   1HB   PRO  46          HB2       PRO  46 -27.884   9.610  -3.777
  342   2HB   PRO  46          HB3       PRO  46 -27.027   9.610  -2.206
  343   1HG   PRO  46          HG2       PRO  46 -28.050  11.985  -3.776
  344   2HG   PRO  46          HG3       PRO  46 -28.215  11.657  -2.022
  345   1HD   PRO  46          HD2       PRO  46 -26.302  13.317  -3.005
  346   2HD   PRO  46          HD3       PRO  46 -25.954  12.243  -1.613
  347    H    ASN  47           H        ASN  47 -26.128  12.080  -5.700
  348    HA   ASN  47           HA       ASN  47 -26.728  10.335  -7.879
  349   1HB   ASN  47          HB2       ASN  47 -26.900  12.143  -9.173
  350   2HB   ASN  47          HB3       ASN  47 -27.001  13.006  -7.653
  351   1HD2  ASN  47          HD22      ASN  47 -25.567  13.090 -10.693
  352   2HD2  ASN  47          HD21      ASN  47 -24.082  13.924 -10.281
  353    H    ALA  48           H        ALA  48 -23.610  11.606  -6.651
  354    HA   ALA  48           HA       ALA  48 -22.116  10.710  -8.960
  355   1HB   ALA  48          HB1       ALA  48 -20.162  11.330  -7.555
  356   2HB   ALA  48          HB2       ALA  48 -21.376  12.625  -7.615
  357   3HB   ALA  48          HB3       ALA  48 -21.230  11.594  -6.168
  358    H    VAL  49           H        VAL  49 -22.928   9.504  -5.726
  359    HA   VAL  49           HA       VAL  49 -21.335   7.138  -5.735
  360    HB   VAL  49           HB       VAL  49 -23.985   7.739  -4.377
  361   1HG1  VAL  49          HG11      VAL  49 -23.817   5.335  -4.579
  362   2HG1  VAL  49          HG12      VAL  49 -22.094   5.375  -4.156
  363   3HG1  VAL  49          HG13      VAL  49 -23.341   5.766  -2.937
  364   1HG2  VAL  49          HG21      VAL  49 -22.015   9.122  -3.630
  365   2HG2  VAL  49          HG22      VAL  49 -22.628   8.034  -2.377
  366   3HG2  VAL  49          HG23      VAL  49 -21.157   7.607  -3.270
  367    H    LYS  50           H        LYS  50 -24.816   7.614  -6.712
  368    HA   LYS  50           HA       LYS  50 -24.985   4.952  -7.650
  369   1HB   LYS  50          HB2       LYS  50 -26.911   6.520  -7.065
  370   2HB   LYS  50          HB3       LYS  50 -26.684   7.280  -8.652
  371   1HG   LYS  50          HG2       LYS  50 -27.044   5.027  -9.723
  372   2HG   LYS  50          HG3       LYS  50 -27.297   4.330  -8.116
  373   1HD   LYS  50          HD2       LYS  50 -29.254   5.828  -7.784
  374   2HD   LYS  50          HD3       LYS  50 -28.993   6.510  -9.405
  375   1HE   LYS  50          HE2       LYS  50 -29.308   4.260 -10.407
  376   2HE   LYS  50          HE3       LYS  50 -29.562   3.575  -8.797
  377   1HZ   LYS  50          HZ1       LYS  50 -31.539   4.969  -8.589
  378   2HZ   LYS  50          HZ2       LYS  50 -31.306   5.600 -10.081
  379   3HZ   LYS  50          HZ3       LYS  50 -31.655   4.019  -9.905
  380    H    ALA  51           H        ALA  51 -24.137   7.979  -9.411
  381    HA   ALA  51           HA       ALA  51 -24.089   6.991 -12.009
  382   1HB   ALA  51          HB1       ALA  51 -22.344   8.764 -12.408
  383   2HB   ALA  51          HB2       ALA  51 -23.732   9.364 -11.473
  384   3HB   ALA  51          HB3       ALA  51 -22.204   8.978 -10.651
  385    H    MET  52           H        MET  52 -21.384   6.888  -9.593
  386    HA   MET  52           HA       MET  52 -19.646   5.397 -11.330
  387   1HB   MET  52          HB2       MET  52 -19.736   5.954  -8.345
  388   2HB   MET  52          HB3       MET  52 -18.388   5.161  -9.157
  389   1HG   MET  52          HG2       MET  52 -19.420   7.966  -9.728
  390   2HG   MET  52          HG3       MET  52 -17.952   7.562  -8.849
  391   1HE   MET  52          HE1       MET  52 -16.671   5.276 -10.405
  392   2HE   MET  52          HE2       MET  52 -15.614   6.085 -11.554
  393   3HE   MET  52          HE3       MET  52 -15.760   6.712  -9.897
  394    H    LYS  53           H        LYS  53 -21.925   4.511  -8.706
  395    HA   LYS  53           HA       LYS  53 -21.084   1.823  -8.529
  396   1HB   LYS  53          HB2       LYS  53 -22.324   3.271  -6.880
  397   2HB   LYS  53          HB3       LYS  53 -23.817   2.922  -7.765
  398   1HG   LYS  53          HG2       LYS  53 -23.708   0.599  -7.133
  399   2HG   LYS  53          HG3       LYS  53 -21.998   0.740  -6.656
  400   1HD   LYS  53          HD2       LYS  53 -22.613   2.325  -4.859
  401   2HD   LYS  53          HD3       LYS  53 -24.328   2.152  -5.271
  402   1HE   LYS  53          HE2       LYS  53 -24.387  -0.108  -4.511
  403   2HE   LYS  53          HE3       LYS  53 -22.631  -0.287  -4.633
  404   1HZ   LYS  53          HZ1       LYS  53 -23.961   1.431  -2.628
  405   2HZ   LYS  53          HZ2       LYS  53 -23.354  -0.059  -2.335
  406   3HZ   LYS  53          HZ3       LYS  53 -22.343   1.157  -2.773
  407    H    GLU  54           H        GLU  54 -23.477   3.354 -10.651
  408    HA   GLU  54           HA       GLU  54 -24.505   0.952 -11.789
  409   1HB   GLU  54          HB2       GLU  54 -24.345   3.847 -12.707
  410   2HB   GLU  54          HB3       GLU  54 -25.023   2.606 -13.754
  411   1HG   GLU  54          HG2       GLU  54 -26.011   3.112 -10.922
  412   2HG   GLU  54          HG3       GLU  54 -26.680   3.896 -12.349
  413    H    VAL  55           H        VAL  55 -21.372   2.462 -12.121
  414    HA   VAL  55           HA       VAL  55 -20.725   0.840 -14.519
  415    HB   VAL  55           HB       VAL  55 -19.076   2.919 -13.013
  416   1HG1  VAL  55          HG11      VAL  55 -17.701   3.012 -15.075
  417   2HG1  VAL  55          HG12      VAL  55 -17.571   1.467 -14.266
  418   3HG1  VAL  55          HG13      VAL  55 -18.588   1.613 -15.720
  419   1HG2  VAL  55          HG21      VAL  55 -20.668   3.165 -15.608
  420   2HG2  VAL  55          HG22      VAL  55 -21.041   3.986 -14.082
  421   3HG2  VAL  55          HG23      VAL  55 -19.563   4.388 -14.944
  422    H    GLY  56           H        GLY  56 -21.013   0.327 -11.228
  423   1HA   GLY  56          HA1       GLY  56 -20.406  -1.542 -10.041
  424   2HA   GLY  56          HA2       GLY  56 -19.191  -1.968 -11.254
  425    H    ILE  57           H        ILE  57 -19.169   1.345 -10.041
  426    HA   ILE  57           HA       ILE  57 -16.729   0.738  -8.439
  427    HB   ILE  57           HB       ILE  57 -17.424   3.256  -9.974
  428   1HG1  ILE  57          HG12      ILE  57 -15.482   1.025 -10.707
  429   2HG1  ILE  57          HG13      ILE  57 -16.962   1.465 -11.563
  430   1HG2  ILE  57          HG21      ILE  57 -15.101   3.929  -9.392
  431   2HG2  ILE  57          HG22      ILE  57 -15.972   3.543  -7.914
  432   3HG2  ILE  57          HG23      ILE  57 -14.828   2.373  -8.593
  433   1HD1  ILE  57          HD11      ILE  57 -14.394   3.075 -11.421
  434   2HD1  ILE  57          HD12      ILE  57 -15.214   2.389 -12.831
  435   3HD1  ILE  57          HD13      ILE  57 -15.948   3.750 -11.994
  436    H    ASP  58           H        ASP  58 -17.620   0.488  -6.479
  437    HA   ASP  58           HA       ASP  58 -19.843   2.104  -5.499
  438   1HB   ASP  58          HB2       ASP  58 -19.737  -0.232  -4.913
  439   2HB   ASP  58          HB3       ASP  58 -18.116  -0.051  -4.232
  440    H    ILE  59           H        ILE  59 -18.768   4.241  -5.751
  441    HA   ILE  59           HA       ILE  59 -16.457   4.833  -4.131
  442    HB   ILE  59           HB       ILE  59 -16.733   7.123  -4.765
  443   1HG1  ILE  59          HG12      ILE  59 -19.293   6.507  -6.259
  444   2HG1  ILE  59          HG13      ILE  59 -19.314   7.091  -4.602
  445   1HG2  ILE  59          HG21      ILE  59 -17.306   5.376  -7.175
  446   2HG2  ILE  59          HG22      ILE  59 -16.464   6.940  -7.155
  447   3HG2  ILE  59          HG23      ILE  59 -15.727   5.538  -6.371
  448   1HD1  ILE  59          HD11      ILE  59 -18.049   9.090  -5.226
  449   2HD1  ILE  59          HD12      ILE  59 -18.085   8.609  -6.931
  450   3HD1  ILE  59          HD13      ILE  59 -19.591   8.988  -6.067
  451    H    SER  60           H        SER  60 -19.595   4.198  -3.076
  452    HA   SER  60           HA       SER  60 -20.198   6.303  -1.402
  453   1HB   SER  60          HB2       SER  60 -20.648   3.447  -0.458
  454   2HB   SER  60          HB3       SER  60 -21.745   4.830  -0.383
  455    HG   SER  60           HG       SER  60 -21.195   3.006  -2.452
  456    H    ASN  61           H        ASN  61 -17.801   3.763  -0.948
  457    HA   ASN  61           HA       ASN  61 -17.414   4.045   1.875
  458   1HB   ASN  61          HB2       ASN  61 -16.868   1.997   0.566
  459   2HB   ASN  61          HB3       ASN  61 -15.603   2.887  -0.285
  460   1HD2  ASN  61          HD22      ASN  61 -13.573   2.390   0.541
  461   2HD2  ASN  61          HD21      ASN  61 -13.236   2.051   2.215
  462    H    GLN  62           H        GLN  62 -16.450   6.075  -0.763
  463    HA   GLN  62           HA       GLN  62 -13.968   7.028   0.341
  464   1HB   GLN  62          HB2       GLN  62 -15.791   8.261  -1.761
  465   2HB   GLN  62          HB3       GLN  62 -14.140   8.768  -1.373
  466   1HG   GLN  62          HG2       GLN  62 -13.302   6.519  -1.998
  467   2HG   GLN  62          HG3       GLN  62 -14.932   6.035  -2.464
  468   1HE2  GLN  62          HE22      GLN  62 -14.752   9.247  -3.557
  469   2HE2  GLN  62          HE21      GLN  62 -14.283   8.836  -5.202
  470    H    THR  63           H        THR  63 -13.923   9.539   0.790
  471    HA   THR  63           HA       THR  63 -16.260  10.494   2.256
  472    HB   THR  63           HB       THR  63 -14.590  11.188   4.129
  473    HG1  THR  63           HG1      THR  63 -12.665  10.495   3.194
  474   1HG2  THR  63          HG21      THR  63 -15.021   9.158   5.378
  475   2HG2  THR  63          HG22      THR  63 -16.437   9.527   4.375
  476   3HG2  THR  63          HG23      THR  63 -15.319   8.239   3.885
  477    H    SER  64           H        SER  64 -16.014  12.861   2.805
  478    HA   SER  64           HA       SER  64 -14.513  14.206   0.635
  479   1HB   SER  64          HB2       SER  64 -16.441  15.826   0.761
  480   2HB   SER  64          HB3       SER  64 -16.831  14.208   0.181
  481    HG   SER  64           HG       SER  64 -17.316  15.199   2.802
  482    H    ASP  65           H        ASP  65 -13.506  16.095   1.071
  483    HA   ASP  65           HA       ASP  65 -13.304  17.298   3.729
  484   1HB   ASP  65          HB2       ASP  65 -11.623  15.341   3.642
  485   2HB   ASP  65          HB3       ASP  65 -10.833  16.212   2.314
  486    H    ILE  66           H        ILE  66 -12.109  19.368   3.554
  487    HA   ILE  66           HA       ILE  66 -12.305  20.473   0.822
  488    HB   ILE  66           HB       ILE  66 -12.447  22.578   1.775
  489   1HG1  ILE  66          HG12      ILE  66 -11.557  21.406   4.433
  490   2HG1  ILE  66          HG13      ILE  66 -10.667  22.554   3.408
  491   1HG2  ILE  66          HG21      ILE  66 -14.459  22.430   3.059
  492   2HG2  ILE  66          HG22      ILE  66 -14.401  20.941   2.097
  493   3HG2  ILE  66          HG23      ILE  66 -13.977  20.899   3.807
  494   1HD1  ILE  66          HD11      ILE  66 -13.209  23.058   4.977
  495   2HD1  ILE  66          HD12      ILE  66 -11.623  23.820   5.191
  496   3HD1  ILE  66          HD13      ILE  66 -12.594  24.177   3.735
  497    H    ILE  67           H        ILE  67 -10.481  21.963   0.220
  498    HA   ILE  67           HA       ILE  67  -8.272  20.415  -0.176
  499    HB   ILE  67           HB       ILE  67  -9.072  22.260  -1.573
  500   1HG1  ILE  67          HG12      ILE  67  -6.129  22.276  -0.848
  501   2HG1  ILE  67          HG13      ILE  67  -6.956  21.280  -2.054
  502   1HG2  ILE  67          HG21      ILE  67  -8.634  24.557  -1.179
  503   2HG2  ILE  67          HG22      ILE  67  -9.439  23.946   0.254
  504   3HG2  ILE  67          HG23      ILE  67  -7.673  24.215   0.277
  505   1HD1  ILE  67          HD11      ILE  67  -5.732  23.047  -3.169
  506   2HD1  ILE  67          HD12      ILE  67  -7.458  23.404  -3.348
  507   3HD1  ILE  67          HD13      ILE  67  -6.497  24.289  -2.161
  508    H    ASP  68           H        ASP  68  -6.373  19.997   0.677
  509    HA   ASP  68           HA       ASP  68  -5.559  21.408   3.171
  510   1HB   ASP  68          HB2       ASP  68  -6.584  19.188   3.614
  511   2HB   ASP  68          HB3       ASP  68  -5.348  18.431   2.594
  512    H    SER  69           H        SER  69  -3.719  22.462   2.774
  513    HA   SER  69           HA       SER  69  -2.044  22.080   0.551
  514   1HB   SER  69          HB2       SER  69  -0.445  23.473   2.066
  515   2HB   SER  69          HB3       SER  69  -1.934  24.187   1.434
  516    HG   SER  69           HG       SER  69  -1.661  24.589   3.678
  517    H    ASP  70           H        ASP  70  -2.178  20.413   3.660
  518    HA   ASP  70           HA       ASP  70   0.529  19.516   3.687
  519   1HB   ASP  70          HB2       ASP  70  -0.955  19.825   5.684
  520   2HB   ASP  70          HB3       ASP  70  -1.836  18.374   5.191
  521    H    ILE  71           H        ILE  71  -1.906  18.540   1.583
  522    HA   ILE  71           HA       ILE  71  -0.417  15.975   1.085
  523    HB   ILE  71           HB       ILE  71  -3.381  16.575   0.663
  524   1HG1  ILE  71          HG12      ILE  71  -1.962  14.369   2.224
  525   2HG1  ILE  71          HG13      ILE  71  -2.655  15.830   2.953
  526   1HG2  ILE  71          HG21      ILE  71  -2.496  15.392  -1.333
  527   2HG2  ILE  71          HG22      ILE  71  -1.774  14.152  -0.284
  528   3HG2  ILE  71          HG23      ILE  71  -3.539  14.344  -0.399
  529   1HD1  ILE  71          HD11      ILE  71  -4.189  13.586   1.589
  530   2HD1  ILE  71          HD12      ILE  71  -4.217  14.057   3.292
  531   3HD1  ILE  71          HD13      ILE  71  -4.912  15.144   2.072
  532    H    LEU  72           H        LEU  72  -2.304  18.682  -0.292
  533    HA   LEU  72           HA       LEU  72  -1.744  18.549  -2.954
  534   1HB   LEU  72          HB2       LEU  72  -3.114  20.226  -1.732
  535   2HB   LEU  72          HB3       LEU  72  -1.644  20.872  -1.036
  536    HG   LEU  72           HG       LEU  72  -0.991  21.379  -3.567
  537   1HD1  LEU  72          HD11      LEU  72  -3.016  20.258  -4.512
  538   2HD1  LEU  72          HD12      LEU  72  -4.051  21.385  -3.625
  539   3HD1  LEU  72          HD13      LEU  72  -2.968  21.987  -4.899
  540   1HD2  LEU  72          HD21      LEU  72  -2.995  22.879  -1.833
  541   2HD2  LEU  72          HD22      LEU  72  -1.221  23.016  -1.789
  542   3HD2  LEU  72          HD23      LEU  72  -2.109  23.594  -3.216
  543    H    ASN  73           H        ASN  73   0.402  20.177  -0.530
  544    HA   ASN  73           HA       ASN  73   2.311  20.894  -2.484
  545   1HB   ASN  73          HB2       ASN  73   3.438  22.001  -0.851
  546   2HB   ASN  73          HB3       ASN  73   1.850  21.909  -0.102
  547   1HD2  ASN  73          HD22      ASN  73   1.535  20.082   1.478
  548   2HD2  ASN  73          HD21      ASN  73   2.910  19.669   2.495
  549    H    ASN  74           H        ASN  74   1.817  17.766  -1.464
  550    HA   ASN  74           HA       ASN  74   4.607  17.002  -2.122
  551   1HB   ASN  74          HB2       ASN  74   4.565  15.246  -0.394
  552   2HB   ASN  74          HB3       ASN  74   4.516  16.865   0.284
  553   1HD2  ASN  74          HD22      ASN  74   2.741  17.524   1.471
  554   2HD2  ASN  74          HD21      ASN  74   1.470  16.438   1.972
  555    H    ALA  75           H        ALA  75   1.479  16.822  -3.154
  556    HA   ALA  75           HA       ALA  75   1.366  14.075  -3.946
  557   1HB   ALA  75          HB1       ALA  75   0.060  16.548  -5.158
  558   2HB   ALA  75          HB2       ALA  75  -0.388  14.857  -5.475
  559   3HB   ALA  75          HB3       ALA  75  -0.632  15.547  -3.859
  560    H    ASP  76           H        ASP  76   1.890  13.275  -6.183
  561    HA   ASP  76           HA       ASP  76   4.221  14.583  -7.423
  562   1HB   ASP  76          HB2       ASP  76   3.914  12.124  -7.605
  563   2HB   ASP  76          HB3       ASP  76   2.387  12.372  -8.468
  564    H    LEU  77           H        LEU  77   0.725  14.420  -7.749
  565    HA   LEU  77           HA       LEU  77   0.686  16.515  -9.828
  566   1HB   LEU  77          HB2       LEU  77   0.684  14.444 -11.017
  567   2HB   LEU  77          HB3       LEU  77  -0.467  13.720  -9.892
  568    HG   LEU  77           HG       LEU  77  -2.241  15.262 -10.707
  569   1HD1  LEU  77          HD11      LEU  77  -0.734  17.069 -11.682
  570   2HD1  LEU  77          HD12      LEU  77  -0.342  15.939 -12.995
  571   3HD1  LEU  77          HD13      LEU  77  -2.000  16.503 -12.765
  572   1HD2  LEU  77          HD21      LEU  77  -2.578  14.026 -12.809
  573   2HD2  LEU  77          HD22      LEU  77  -0.856  13.578 -12.816
  574   3HD2  LEU  77          HD23      LEU  77  -1.932  12.955 -11.556
  575    H    VAL  78           H        VAL  78  -1.026  17.777  -9.740
  576    HA   VAL  78           HA       VAL  78  -3.287  17.176  -7.898
  577    HB   VAL  78           HB       VAL  78  -1.934  19.827  -8.544
  578   1HG1  VAL  78          HG11      VAL  78  -4.397  19.329  -6.799
  579   2HG1  VAL  78          HG12      VAL  78  -3.553  20.882  -7.004
  580   3HG1  VAL  78          HG13      VAL  78  -4.391  20.157  -8.372
  581   1HG2  VAL  78          HG21      VAL  78  -1.379  19.949  -6.190
  582   2HG2  VAL  78          HG22      VAL  78  -2.243  18.420  -5.858
  583   3HG2  VAL  78          HG23      VAL  78  -0.766  18.431  -6.826
  584    H    VAL  79           H        VAL  79  -5.314  17.366  -8.960
  585    HA   VAL  79           HA       VAL  79  -5.196  18.242 -11.819
  586    HB   VAL  79           HB       VAL  79  -6.892  15.955 -10.794
  587   1HG1  VAL  79          HG11      VAL  79  -7.288  15.561 -13.196
  588   2HG1  VAL  79          HG12      VAL  79  -7.787  17.198 -12.745
  589   3HG1  VAL  79          HG13      VAL  79  -6.253  16.954 -13.606
  590   1HG2  VAL  79          HG21      VAL  79  -4.597  15.171 -10.733
  591   2HG2  VAL  79          HG22      VAL  79  -5.393  14.487 -12.150
  592   3HG2  VAL  79          HG23      VAL  79  -4.279  15.858 -12.346
  593    H    THR  80           H        THR  80  -6.257  20.109 -11.942
  594    HA   THR  80           HA       THR  80  -8.386  20.707  -9.977
  595    HB   THR  80           HB       THR  80  -8.167  23.007 -10.937
  596    HG1  THR  80           HG1      THR  80  -7.199  22.304 -12.928
  597   1HG2  THR  80          HG21      THR  80  -5.983  23.462  -9.864
  598   2HG2  THR  80          HG22      THR  80  -6.930  22.319  -8.897
  599   3HG2  THR  80          HG23      THR  80  -5.589  21.732  -9.891
  600    H    LEU  81           H        LEU  81 -10.048  19.456 -10.635
  601    HA   LEU  81           HA       LEU  81 -10.539  18.712 -13.338
  602   1HB   LEU  81          HB2       LEU  81 -12.274  18.559 -10.857
  603   2HB   LEU  81          HB3       LEU  81 -12.713  17.802 -12.385
  604    HG   LEU  81           HG       LEU  81 -10.151  17.151 -10.856
  605   1HD1  LEU  81          HD11      LEU  81 -12.803  15.664 -10.892
  606   2HD1  LEU  81          HD12      LEU  81 -11.307  15.142 -10.094
  607   3HD1  LEU  81          HD13      LEU  81 -12.139  16.595  -9.523
  608   1HD2  LEU  81          HD21      LEU  81 -10.023  16.544 -13.246
  609   2HD2  LEU  81          HD22      LEU  81 -10.168  15.091 -12.259
  610   3HD2  LEU  81          HD23      LEU  81 -11.576  15.707 -13.140
  611    H    CYS  82           H        CYS  82 -11.236  21.739 -11.955
  612    HA   CYS  82           HA       CYS  82 -12.672  22.396 -14.363
  613   1HB   CYS  82          HB2       CYS  82 -14.532  21.857 -12.786
  614   2HB   CYS  82          HB3       CYS  82 -13.902  23.081 -11.657
  615    HG   CYS  82           HG       CYS  82 -16.024  23.983 -12.941
  616    H    GLY  83           H        GLY  83 -11.771  24.300 -15.060
  617   1HA   GLY  83          HA1       GLY  83  -9.449  25.280 -13.975
  618   2HA   GLY  83          HA2       GLY  83 -10.462  26.166 -15.129
  619    H    ASP  84           H        ASP  84 -12.764  26.475 -13.289
  620    HA   ASP  84           HA       ASP  84 -12.005  28.872 -11.947
  621   1HB   ASP  84          HB2       ASP  84 -14.304  28.364 -12.699
  622   2HB   ASP  84          HB3       ASP  84 -14.424  27.086 -11.484
  623    H    ALA  85           H        ALA  85 -12.000  25.490 -10.883
  624    HA   ALA  85           HA       ALA  85 -11.852  26.037  -8.045
  625   1HB   ALA  85          HB1       ALA  85 -10.820  23.554  -9.480
  626   2HB   ALA  85          HB2       ALA  85 -11.420  23.713  -7.826
  627   3HB   ALA  85          HB3       ALA  85 -12.549  23.816  -9.188
  628    H    ALA  86           H        ALA  86  -9.532  25.873 -10.720
  629    HA   ALA  86           HA       ALA  86  -7.225  25.227  -9.220
  630   1HB   ALA  86          HB1       ALA  86  -7.365  26.861 -11.786
  631   2HB   ALA  86          HB2       ALA  86  -5.998  25.908 -11.189
  632   3HB   ALA  86          HB3       ALA  86  -7.487  25.086 -11.725
  633    H    ASP  87           H        ASP  87  -8.952  28.239  -9.446
  634    HA   ASP  87           HA       ASP  87  -6.972  30.132  -8.781
  635   1HB   ASP  87          HB2       ASP  87  -9.326  30.668  -9.369
  636   2HB   ASP  87          HB3       ASP  87  -9.860  29.927  -7.850
  637    H    LYS  88           H        LYS  88  -8.631  27.706  -6.790
  638    HA   LYS  88           HA       LYS  88  -8.018  28.996  -4.281
  639   1HB   LYS  88          HB2       LYS  88  -9.978  27.502  -4.739
  640   2HB   LYS  88          HB3       LYS  88  -8.870  26.130  -4.888
  641   1HG   LYS  88          HG2       LYS  88  -9.935  26.090  -2.755
  642   2HG   LYS  88          HG3       LYS  88  -8.218  26.409  -2.523
  643   1HD   LYS  88          HD2       LYS  88  -8.656  28.775  -2.086
  644   2HD   LYS  88          HD3       LYS  88 -10.370  28.577  -2.534
  645   1HE   LYS  88          HE2       LYS  88 -10.678  26.975  -0.688
  646   2HE   LYS  88          HE3       LYS  88  -8.974  27.133  -0.241
  647   1HZ   LYS  88          HZ1       LYS  88  -9.393  29.471   0.280
  648   2HZ   LYS  88          HZ2       LYS  88 -10.969  29.329  -0.135
  649   3HZ   LYS  88          HZ3       LYS  88 -10.385  28.521   1.152
  650    H    CYS  89           H        CYS  89  -6.314  26.562  -6.191
  651    HA   CYS  89           HA       CYS  89  -5.005  25.106  -4.322
  652   1HB   CYS  89          HB2       CYS  89  -3.911  26.060  -6.985
  653   2HB   CYS  89          HB3       CYS  89  -3.266  24.703  -6.044
  654    HG   CYS  89           HG       CYS  89  -5.438  23.286  -5.972
  655    HA   PRO  90           HA       PRO  90  -2.821  28.493  -2.396
  656   1HB   PRO  90          HB2       PRO  90  -1.991  27.325  -0.063
  657   2HB   PRO  90          HB3       PRO  90  -3.670  27.851  -0.418
  658   1HG   PRO  90          HG2       PRO  90  -2.506  25.067  -0.706
  659   2HG   PRO  90          HG3       PRO  90  -4.037  25.548   0.107
  660   1HD   PRO  90          HD2       PRO  90  -4.080  24.652  -2.437
  661   2HD   PRO  90          HD3       PRO  90  -5.097  26.019  -1.933
  662    H    MET  91           H        MET  91  -1.157  25.420  -3.073
  663    HA   MET  91           HA       MET  91   1.141  26.841  -4.003
  664   1HB   MET  91          HB2       MET  91   2.810  25.752  -2.494
  665   2HB   MET  91          HB3       MET  91   1.807  26.941  -1.684
  666   1HG   MET  91          HG2       MET  91   0.380  25.043  -0.791
  667   2HG   MET  91          HG3       MET  91   1.528  23.919  -1.513
  668   1HE   MET  91          HE1       MET  91   2.009  27.326   0.588
  669   2HE   MET  91          HE2       MET  91   0.721  26.374   1.362
  670   3HE   MET  91          HE3       MET  91   2.281  26.596   2.183
  671    H    THR  92           H        THR  92   1.947  25.650  -5.710
  672    HA   THR  92           HA       THR  92   2.019  22.711  -5.473
  673    HB   THR  92           HB       THR  92   1.228  22.441  -7.825
  674    HG1  THR  92           HG1      THR  92   1.372  24.659  -8.443
  675   1HG2  THR  92          HG21      THR  92  -0.930  23.612  -6.044
  676   2HG2  THR  92          HG22      THR  92  -1.101  22.408  -7.338
  677   3HG2  THR  92          HG23      THR  92  -0.239  21.989  -5.849
  678    HA   PRO  93           HA       PRO  93   6.088  24.674  -6.572
  679   1HB   PRO  93          HB2       PRO  93   6.869  22.084  -5.221
  680   2HB   PRO  93          HB3       PRO  93   7.639  23.695  -5.086
  681   1HG   PRO  93          HG2       PRO  93   6.032  22.787  -3.111
  682   2HG   PRO  93          HG3       PRO  93   5.901  24.492  -3.660
  683   1HD   PRO  93          HD2       PRO  93   4.151  22.139  -4.402
  684   2HD   PRO  93          HD3       PRO  93   3.684  23.803  -3.951
  685    HA   PRO  94           HA       PRO  94   7.069  22.231 -10.218
  686   1HB   PRO  94          HB2       PRO  94   9.862  21.838  -9.125
  687   2HB   PRO  94          HB3       PRO  94   9.359  22.323 -10.776
  688   1HG   PRO  94          HG2       PRO  94  10.243  24.191  -9.029
  689   2HG   PRO  94          HG3       PRO  94   8.794  24.527 -10.032
  690   1HD   PRO  94          HD2       PRO  94   8.917  23.648  -7.142
  691   2HD   PRO  94          HD3       PRO  94   7.882  24.894  -7.903
  692    H    HIS  95           H        HIS  95   8.019  20.779  -7.109
  693    HA   HIS  95           HA       HIS  95   8.226  18.069  -8.019
  694   1HB   HIS  95          HB2       HIS  95   7.497  19.131  -5.259
  695   2HB   HIS  95          HB3       HIS  95   8.106  17.523  -5.635
  696    HD1  HIS  95           HD1      HIS  95  10.736  17.763  -7.001
  697    HD2  HIS  95           HD2      HIS  95   9.335  20.710  -4.334
  698    HE1  HIS  95           HE1      HIS  95  12.780  19.080  -6.252
  699    H    VAL  96           H        VAL  96   5.519  20.064  -7.947
  700    HA   VAL  96           HA       VAL  96   3.516  17.897  -7.608
  701    HB   VAL  96           HB       VAL  96   3.338  20.787  -6.626
  702   1HG1  VAL  96          HG11      VAL  96   1.551  18.413  -6.038
  703   2HG1  VAL  96          HG12      VAL  96   1.312  20.105  -5.542
  704   3HG1  VAL  96          HG13      VAL  96   1.202  19.669  -7.247
  705   1HG2  VAL  96          HG21      VAL  96   4.963  19.775  -5.174
  706   2HG2  VAL  96          HG22      VAL  96   3.421  19.914  -4.333
  707   3HG2  VAL  96          HG23      VAL  96   3.944  18.339  -4.949
  708    H    LYS  97           H        LYS  97   3.500  17.711  -9.923
  709    HA   LYS  97           HA       LYS  97   3.265  20.084 -11.586
  710   1HB   LYS  97          HB2       LYS  97   3.299  18.648 -13.410
  711   2HB   LYS  97          HB3       LYS  97   4.287  17.813 -12.221
  712   1HG   LYS  97          HG2       LYS  97   1.952  16.605 -11.664
  713   2HG   LYS  97          HG3       LYS  97   1.576  17.133 -13.317
  714   1HD   LYS  97          HD2       LYS  97   3.735  16.002 -14.055
  715   2HD   LYS  97          HD3       LYS  97   3.909  15.420 -12.387
  716   1HE   LYS  97          HE2       LYS  97   1.455  14.500 -12.754
  717   2HE   LYS  97          HE3       LYS  97   1.815  14.668 -14.472
  718   1HZ   LYS  97          HZ1       LYS  97   3.269  13.040 -12.441
  719   2HZ   LYS  97          HZ2       LYS  97   2.393  12.464 -13.702
  720   3HZ   LYS  97          HZ3       LYS  97   3.807  13.227 -13.994
  721    H    ARG  98           H        ARG  98   1.289  20.257 -13.050
  722    HA   ARG  98           HA       ARG  98  -1.197  19.541 -11.625
  723   1HB   ARG  98          HB2       ARG  98  -0.186  22.299 -12.087
  724   2HB   ARG  98          HB3       ARG  98  -1.803  22.015 -12.720
  725   1HG   ARG  98          HG2       ARG  98  -2.447  21.033 -10.470
  726   2HG   ARG  98          HG3       ARG  98  -0.872  21.569  -9.858
  727   1HD   ARG  98          HD2       ARG  98  -2.610  23.179  -9.270
  728   2HD   ARG  98          HD3       ARG  98  -1.488  23.915 -10.409
  729    HE   ARG  98           HE       ARG  98  -4.216  22.820 -11.067
  730   1HH1  ARG  98          HH21      ARG  98  -1.647  25.170 -11.826
  731   2HH1  ARG  98          HH22      ARG  98  -2.510  25.869 -13.142
  732   1HH2  ARG  98          HH11      ARG  98  -5.336  23.731 -12.751
  733   2HH2  ARG  98          HH12      ARG  98  -4.673  25.041 -13.684
  734    H    GLU  99           H        GLU  99  -3.054  19.471 -12.881
  735    HA   GLU  99           HA       GLU  99  -2.859  19.923 -15.734
  736   1HB   GLU  99          HB2       GLU  99  -2.245  17.503 -15.409
  737   2HB   GLU  99          HB3       GLU  99  -3.803  17.233 -14.624
  738   1HG   GLU  99          HG2       GLU  99  -3.647  16.516 -17.011
  739   2HG   GLU  99          HG3       GLU  99  -4.992  17.604 -16.655
  740    H    HIS 100           H        HIS 100  -5.181  19.979 -16.607
  741    HA   HIS 100           HA       HIS 100  -7.123  20.744 -14.534
  742   1HB   HIS 100          HB2       HIS 100  -7.295  23.016 -15.373
  743   2HB   HIS 100          HB3       HIS 100  -5.655  22.700 -14.830
  744    HD1  HIS 100           HD1      HIS 100  -4.720  21.329 -17.799
  745    HD2  HIS 100           HD2      HIS 100  -6.630  25.005 -16.959
  746    HE1  HIS 100           HE1      HIS 100  -4.185  22.875 -19.727
  747    H    TRP 101           H        TRP 101  -9.230  20.976 -15.240
  748    HA   TRP 101           HA       TRP 101  -9.901  20.535 -18.080
  749   1HB   TRP 101          HB2       TRP 101 -11.062  18.796 -15.895
  750   2HB   TRP 101          HB3       TRP 101 -11.282  18.675 -17.644
  751    HD1  TRP 101           HD1      TRP 101  -8.980  17.672 -14.847
  752    HE1  TRP 101           HE1      TRP 101  -7.081  16.181 -15.663
  753    HE3  TRP 101           HE3      TRP 101  -9.677  18.188 -19.895
  754    HZ2  TRP 101           HZ2      TRP 101  -5.976  15.321 -18.192
  755    HZ3  TRP 101           HZ3      TRP 101  -8.158  17.043 -21.485
  756    HH2  TRP 101           HH2      TRP 101  -6.313  15.591 -20.641
  757    H    GLY 102           H        GLY 102 -12.785  20.222 -17.464
  758   1HA   GLY 102          HA1       GLY 102 -13.428  22.885 -16.275
  759   2HA   GLY 102          HA2       GLY 102 -13.743  22.574 -17.975
  760    H    PHE 103           H        PHE 103 -14.215  20.340 -15.146
  761    HA   PHE 103           HA       PHE 103 -16.823  19.686 -16.281
  762   1HB   PHE 103          HB2       PHE 103 -15.213  18.483 -14.014
  763   2HB   PHE 103          HB3       PHE 103 -16.817  17.917 -14.502
  764    HD1  PHE 103           HD1      PHE 103 -17.218  17.232 -16.928
  765    HD2  PHE 103           HD2      PHE 103 -13.269  17.819 -15.293
  766    HE1  PHE 103           HE1      PHE 103 -16.233  16.149 -18.921
  767    HE2  PHE 103           HE2      PHE 103 -12.282  16.742 -17.280
  768    HZ   PHE 103           HZ       PHE 103 -13.769  15.936 -19.133
  769    H    ASP 104           H        ASP 104 -18.458  20.943 -15.894
  770    HA   ASP 104           HA       ASP 104 -19.024  22.407 -13.483
  771   1HB   ASP 104          HB2       ASP 104 -19.987  22.931 -15.723
  772   2HB   ASP 104          HB3       ASP 104 -20.838  21.377 -15.696
  773    H    ASP 105           H        ASP 105 -20.832  21.883 -11.987
  774    HA   ASP 105           HA       ASP 105 -20.346  19.224 -11.010
  775   1HB   ASP 105          HB2       ASP 105 -20.609  21.292  -9.581
  776   2HB   ASP 105          HB3       ASP 105 -22.351  21.148  -9.846
  777    HA   PRO 106           HA       PRO 106 -23.707  17.527 -13.305
  778   1HB   PRO 106          HB2       PRO 106 -23.690  14.912 -12.403
  779   2HB   PRO 106          HB3       PRO 106 -22.481  15.586 -13.535
  780   1HG   PRO 106          HG2       PRO 106 -22.254  15.257 -10.529
  781   2HG   PRO 106          HG3       PRO 106 -21.057  14.821 -11.791
  782   1HD   PRO 106          HD2       PRO 106 -20.892  17.157 -10.405
  783   2HD   PRO 106          HD3       PRO 106 -20.464  17.078 -12.144
  784    H    ALA 107           H        ALA 107 -23.683  17.318  -9.720
  785    HA   ALA 107           HA       ALA 107 -26.336  16.285  -9.503
  786   1HB   ALA 107          HB1       ALA 107 -24.766  17.948  -7.490
  787   2HB   ALA 107          HB2       ALA 107 -26.164  16.917  -7.154
  788   3HB   ALA 107          HB3       ALA 107 -24.629  16.200  -7.691
  789    H    ARG 108           H        ARG 108 -25.152  19.429 -10.322
  790    HA   ARG 108           HA       ARG 108 -27.715  20.753  -9.607
  791   1HB   ARG 108          HB2       ARG 108 -24.943  21.886 -10.218
  792   2HB   ARG 108          HB3       ARG 108 -26.398  22.850 -10.006
  793   1HG   ARG 108          HG2       ARG 108 -25.506  22.995  -7.911
  794   2HG   ARG 108          HG3       ARG 108 -26.659  21.673  -7.711
  795   1HD   ARG 108          HD2       ARG 108 -24.736  20.057  -7.954
  796   2HD   ARG 108          HD3       ARG 108 -23.638  21.440  -8.047
  797    HE   ARG 108           HE       ARG 108 -25.106  21.828  -5.730
  798   1HH1  ARG 108          HH21      ARG 108 -22.891  19.260  -6.894
  799   2HH1  ARG 108          HH22      ARG 108 -22.324  18.882  -5.306
  800   1HH2  ARG 108          HH11      ARG 108 -24.363  21.257  -3.644
  801   2HH2  ARG 108          HH12      ARG 108 -23.201  19.996  -3.427
  802    H    ALA 109           H        ALA 109 -26.559  19.085 -12.230
  803    HA   ALA 109           HA       ALA 109 -27.244  20.780 -14.416
  804   1HB   ALA 109          HB1       ALA 109 -26.035  18.616 -14.668
  805   2HB   ALA 109          HB2       ALA 109 -27.483  17.745 -14.105
  806   3HB   ALA 109          HB3       ALA 109 -27.536  18.641 -15.630
  807    H    GLN 110           H        GLN 110 -29.286  21.134 -15.319
  808    HA   GLN 110           HA       GLN 110 -31.691  19.996 -14.006
  809   1HB   GLN 110          HB2       GLN 110 -30.855  22.929 -14.070
  810   2HB   GLN 110          HB3       GLN 110 -32.547  22.466 -13.926
  811   1HG   GLN 110          HG2       GLN 110 -32.262  21.475 -11.803
  812   2HG   GLN 110          HG3       GLN 110 -30.514  21.382 -11.957
  813   1HE2  GLN 110          HE22      GLN 110 -29.199  23.188 -11.612
  814   2HE2  GLN 110          HE21      GLN 110 -29.811  24.664 -10.878
  815    H    GLY 111           H        GLY 111 -33.594  20.353 -15.301
  816   1HA   GLY 111          HA1       GLY 111 -34.191  21.922 -17.368
  817   2HA   GLY 111          HA2       GLY 111 -33.190  20.709 -18.198
  818    H    THR 112           H        THR 112 -33.708  18.370 -17.178
  819    HA   THR 112           HA       THR 112 -36.370  17.880 -16.301
  820    HB   THR 112           HB       THR 112 -36.947  18.021 -18.633
  821    HG1  THR 112           HG1      THR 112 -37.903  16.089 -18.802
  822   1HG2  THR 112          HG21      THR 112 -36.015  16.524 -20.356
  823   2HG2  THR 112          HG22      THR 112 -34.805  17.657 -19.747
  824   3HG2  THR 112          HG23      THR 112 -34.787  15.960 -19.207
  825    H    GLU 113           H        GLU 113 -36.492  15.518 -15.635
  826    HA   GLU 113           HA       GLU 113 -34.157  15.029 -14.110
  827   1HB   GLU 113          HB2       GLU 113 -36.354  14.335 -13.353
  828   2HB   GLU 113          HB3       GLU 113 -36.562  13.264 -14.748
  829   1HG   GLU 113          HG2       GLU 113 -34.765  11.810 -13.984
  830   2HG   GLU 113          HG3       GLU 113 -34.362  12.920 -12.667
  831    H    GLU 114           H        GLU 114 -35.288  13.580 -17.157
  832    HA   GLU 114           HA       GLU 114 -33.208  11.626 -17.264
  833   1HB   GLU 114          HB2       GLU 114 -33.877  11.268 -19.580
  834   2HB   GLU 114          HB3       GLU 114 -35.274  11.327 -18.507
  835   1HG   GLU 114          HG2       GLU 114 -35.727  13.669 -19.233
  836   2HG   GLU 114          HG3       GLU 114 -34.334  13.598 -20.317
  837    H    GLU 115           H        GLU 115 -33.332  15.041 -18.144
  838    HA   GLU 115           HA       GLU 115 -30.922  14.946 -19.734
  839   1HB   GLU 115          HB2       GLU 115 -32.549  16.583 -20.286
  840   2HB   GLU 115          HB3       GLU 115 -32.571  17.241 -18.644
  841   1HG   GLU 115          HG2       GLU 115 -30.485  18.263 -18.863
  842   2HG   GLU 115          HG3       GLU 115 -29.997  17.231 -20.219
  843    H    LYS 116           H        LYS 116 -31.840  15.905 -16.406
  844    HA   LYS 116           HA       LYS 116 -29.307  16.566 -15.399
  845   1HB   LYS 116          HB2       LYS 116 -31.408  17.023 -14.266
  846   2HB   LYS 116          HB3       LYS 116 -31.765  15.299 -14.113
  847   1HG   LYS 116          HG2       LYS 116 -29.904  14.974 -12.621
  848   2HG   LYS 116          HG3       LYS 116 -29.367  16.644 -12.844
  849   1HD   LYS 116          HD2       LYS 116 -32.017  16.950 -11.980
  850   2HD   LYS 116          HD3       LYS 116 -31.493  15.492 -11.115
  851   1HE   LYS 116          HE2       LYS 116 -29.356  16.910 -10.534
  852   2HE   LYS 116          HE3       LYS 116 -30.309  18.286 -11.098
  853   1HZ   LYS 116          HZ1       LYS 116 -31.936  17.814  -9.379
  854   2HZ   LYS 116          HZ2       LYS 116 -31.095  16.507  -8.862
  855   3HZ   LYS 116          HZ3       LYS 116 -30.457  17.998  -8.710
  856    H    TRP 117           H        TRP 117 -30.940  13.357 -15.445
  857    HA   TRP 117           HA       TRP 117 -28.741  11.916 -14.366
  858   1HB   TRP 117          HB2       TRP 117 -30.997  10.956 -14.539
  859   2HB   TRP 117          HB3       TRP 117 -30.882  10.945 -16.299
  860    HD1  TRP 117           HD1      TRP 117 -29.393   9.052 -17.421
  861    HE1  TRP 117           HE1      TRP 117 -28.324   6.877 -16.574
  862    HE3  TRP 117           HE3      TRP 117 -29.803   9.845 -12.385
  863    HZ2  TRP 117           HZ2      TRP 117 -27.469   5.778 -14.072
  864    HZ3  TRP 117           HZ3      TRP 117 -28.710   8.297 -10.792
  865    HH2  TRP 117           HH2      TRP 117 -27.534   6.258 -11.620
  866    H    ALA 118           H        ALA 118 -29.603  12.628 -17.818
  867    HA   ALA 118           HA       ALA 118 -27.470  11.177 -18.950
  868   1HB   ALA 118          HB1       ALA 118 -28.786  13.724 -19.988
  869   2HB   ALA 118          HB2       ALA 118 -27.798  12.596 -20.937
  870   3HB   ALA 118          HB3       ALA 118 -29.352  12.062 -20.268
  871    H    PHE 119           H        PHE 119 -27.535  14.538 -17.663
  872    HA   PHE 119           HA       PHE 119 -24.902  15.221 -18.438
  873   1HB   PHE 119          HB2       PHE 119 -26.831  16.665 -17.460
  874   2HB   PHE 119          HB3       PHE 119 -26.211  16.189 -15.890
  875    HD1  PHE 119           HD1      PHE 119 -25.885  18.445 -18.683
  876    HD2  PHE 119           HD2      PHE 119 -23.725  16.749 -15.359
  877    HE1  PHE 119           HE1      PHE 119 -24.289  20.342 -18.747
  878    HE2  PHE 119           HE2      PHE 119 -22.159  18.683 -15.390
  879    HZ   PHE 119           HZ       PHE 119 -22.431  20.467 -17.104
  880    H    PHE 120           H        PHE 120 -26.121  13.467 -15.505
  881    HA   PHE 120           HA       PHE 120 -23.633  13.219 -14.161
  882   1HB   PHE 120          HB2       PHE 120 -25.629  10.951 -14.305
  883   2HB   PHE 120          HB3       PHE 120 -24.447  11.282 -13.076
  884    HD1  PHE 120           HD1      PHE 120 -26.995  10.453 -12.322
  885    HD2  PHE 120           HD2      PHE 120 -25.740  14.484 -13.238
  886    HE1  PHE 120           HE1      PHE 120 -28.800  11.354 -10.879
  887    HE2  PHE 120           HE2      PHE 120 -27.500  15.354 -11.754
  888    HZ   PHE 120           HZ       PHE 120 -29.040  13.805 -10.572
  889    H    GLN 121           H        GLN 121 -25.196  11.133 -16.665
  890    HA   GLN 121           HA       GLN 121 -23.126   9.220 -16.802
  891   1HB   GLN 121          HB2       GLN 121 -25.044   9.980 -19.027
  892   2HB   GLN 121          HB3       GLN 121 -24.078   8.512 -18.925
  893   1HG   GLN 121          HG2       GLN 121 -26.392   9.298 -17.121
  894   2HG   GLN 121          HG3       GLN 121 -26.344   7.997 -18.289
  895   1HE2  GLN 121          HE22      GLN 121 -25.746   8.837 -14.980
  896   2HE2  GLN 121          HE21      GLN 121 -25.029   7.317 -14.506
  897    H    ARG 122           H        ARG 122 -23.586  12.178 -18.758
  898    HA   ARG 122           HA       ARG 122 -21.317  11.793 -20.433
  899   1HB   ARG 122          HB2       ARG 122 -22.948  14.217 -19.623
  900   2HB   ARG 122          HB3       ARG 122 -21.386  14.465 -20.390
  901   1HG   ARG 122          HG2       ARG 122 -22.972  14.540 -22.122
  902   2HG   ARG 122          HG3       ARG 122 -22.068  13.035 -22.303
  903   1HD   ARG 122          HD2       ARG 122 -23.976  11.809 -21.225
  904   2HD   ARG 122          HD3       ARG 122 -24.862  13.334 -21.121
  905    HE   ARG 122           HE       ARG 122 -24.303  11.711 -23.510
  906   1HH1  ARG 122          HH21      ARG 122 -25.598  14.792 -22.297
  907   2HH1  ARG 122          HH22      ARG 122 -26.520  15.122 -23.715
  908   1HH2  ARG 122          HH11      ARG 122 -25.519  12.163 -25.400
  909   2HH2  ARG 122          HH12      ARG 122 -26.465  13.596 -25.519
  910    H    VAL 123           H        VAL 123 -21.579  13.590 -17.299
  911    HA   VAL 123           HA       VAL 123 -18.816  14.314 -17.388
  912    HB   VAL 123           HB       VAL 123 -20.775  14.205 -15.054
  913   1HG1  VAL 123          HG11      VAL 123 -18.469  14.152 -14.148
  914   2HG1  VAL 123          HG12      VAL 123 -18.016  15.517 -15.182
  915   3HG1  VAL 123          HG13      VAL 123 -19.204  15.737 -13.879
  916   1HG2  VAL 123          HG21      VAL 123 -19.718  16.542 -16.736
  917   2HG2  VAL 123          HG22      VAL 123 -21.344  15.857 -16.857
  918   3HG2  VAL 123          HG23      VAL 123 -20.839  16.671 -15.372
  919    H    ARG 124           H        ARG 124 -20.399  11.414 -15.733
  920    HA   ARG 124           HA       ARG 124 -17.871  10.577 -14.734
  921   1HB   ARG 124          HB2       ARG 124 -18.745   8.310 -14.510
  922   2HB   ARG 124          HB3       ARG 124 -19.870   9.494 -13.842
  923   1HG   ARG 124          HG2       ARG 124 -21.379   9.203 -15.665
  924   2HG   ARG 124          HG3       ARG 124 -20.203   8.313 -16.627
  925   1HD   ARG 124          HD2       ARG 124 -20.242   6.516 -14.821
  926   2HD   ARG 124          HD3       ARG 124 -21.642   7.355 -14.161
  927    HE   ARG 124           HE       ARG 124 -22.953   6.535 -15.854
  928   1HH1  ARG 124          HH21      ARG 124 -19.584   6.035 -16.922
  929   2HH1  ARG 124          HH22      ARG 124 -20.051   5.142 -18.322
  930   1HH2  ARG 124          HH11      ARG 124 -23.523   5.458 -17.680
  931   2HH2  ARG 124          HH12      ARG 124 -22.346   4.757 -18.754
  932    H    ASP 125           H        ASP 125 -19.415   9.957 -17.890
  933    HA   ASP 125           HA       ASP 125 -17.534   8.053 -18.789
  934   1HB   ASP 125          HB2       ASP 125 -19.651   8.407 -19.942
  935   2HB   ASP 125          HB3       ASP 125 -19.186  10.056 -20.376
  936    H    GLU 126           H        GLU 126 -17.549  11.660 -19.115
  937    HA   GLU 126           HA       GLU 126 -15.083  11.611 -20.530
  938   1HB   GLU 126          HB2       GLU 126 -16.838  13.767 -19.424
  939   2HB   GLU 126          HB3       GLU 126 -15.172  14.172 -19.849
  940   1HG   GLU 126          HG2       GLU 126 -16.949  12.691 -21.796
  941   2HG   GLU 126          HG3       GLU 126 -16.970  14.448 -21.658
  942    H    ILE 127           H        ILE 127 -15.834  11.900 -17.053
  943    HA   ILE 127           HA       ILE 127 -13.148  12.651 -16.355
  944    HB   ILE 127           HB       ILE 127 -15.546  12.349 -14.944
  945   1HG1  ILE 127          HG12      ILE 127 -14.197  12.999 -12.918
  946   2HG1  ILE 127          HG13      ILE 127 -12.745  12.879 -13.919
  947   1HG2  ILE 127          HG21      ILE 127 -15.234  10.039 -14.550
  948   2HG2  ILE 127          HG22      ILE 127 -13.651  10.337 -13.774
  949   3HG2  ILE 127          HG23      ILE 127 -15.150  10.951 -13.041
  950   1HD1  ILE 127          HD11      ILE 127 -13.651  14.627 -15.427
  951   2HD1  ILE 127          HD12      ILE 127 -15.191  14.622 -14.541
  952   3HD1  ILE 127          HD13      ILE 127 -13.720  15.213 -13.749
  953    H    GLY 128           H        GLY 128 -14.771   9.469 -16.775
  954   1HA   GLY 128          HA1       GLY 128 -12.522   7.861 -16.108
  955   2HA   GLY 128          HA2       GLY 128 -13.903   7.389 -17.127
  956    H    ASN 129           H        ASN 129 -13.735   9.071 -19.265
  957    HA   ASN 129           HA       ASN 129 -11.706   8.054 -20.941
  958   1HB   ASN 129          HB2       ASN 129 -13.935   9.049 -21.576
  959   2HB   ASN 129          HB3       ASN 129 -13.262  10.639 -21.198
  960   1HD2  ASN 129          HD22      ASN 129 -13.601  11.394 -23.284
  961   2HD2  ASN 129          HD21      ASN 129 -12.703  10.791 -24.678
  962    H    ARG 130           H        ARG 130 -11.769  11.034 -18.961
  963    HA   ARG 130           HA       ARG 130  -9.353  12.191 -19.937
  964   1HB   ARG 130          HB2       ARG 130 -11.172  12.632 -17.654
  965   2HB   ARG 130          HB3       ARG 130  -9.521  12.636 -17.099
  966   1HG   ARG 130          HG2       ARG 130  -9.837  14.823 -17.535
  967   2HG   ARG 130          HG3       ARG 130  -9.038  14.304 -19.011
  968   1HD   ARG 130          HD2       ARG 130 -11.989  14.815 -18.523
  969   2HD   ARG 130          HD3       ARG 130 -10.929  15.821 -19.513
  970    HE   ARG 130           HE       ARG 130 -12.460  13.545 -20.277
  971   1HH1  ARG 130          HH21      ARG 130  -9.162  14.797 -20.991
  972   2HH1  ARG 130          HH22      ARG 130  -9.075  13.799 -22.441
  973   1HH2  ARG 130          HH11      ARG 130 -12.390  12.803 -22.444
  974   2HH2  ARG 130          HH12      ARG 130 -10.783  12.669 -23.191
  975    H    LEU 131           H        LEU 131  -9.991   9.943 -17.252
  976    HA   LEU 131           HA       LEU 131  -7.220   9.806 -16.539
  977   1HB   LEU 131          HB2       LEU 131  -9.660   8.188 -15.750
  978   2HB   LEU 131          HB3       LEU 131  -8.073   7.928 -15.008
  979    HG   LEU 131           HG       LEU 131  -9.250  10.745 -15.133
  980   1HD1  LEU 131          HD11      LEU 131  -9.867   8.671 -13.037
  981   2HD1  LEU 131          HD12      LEU 131 -10.201  10.414 -12.908
  982   3HD1  LEU 131          HD13      LEU 131 -11.001   9.453 -14.160
  983   1HD2  LEU 131          HD21      LEU 131  -7.846  11.128 -13.208
  984   2HD2  LEU 131          HD22      LEU 131  -7.316   9.425 -13.193
  985   3HD2  LEU 131          HD23      LEU 131  -6.865  10.506 -14.524
  986    H    LYS 132           H        LYS 132  -9.283   7.801 -18.631
  987    HA   LYS 132           HA       LYS 132  -7.342   5.829 -19.235
  988   1HB   LYS 132          HB2       LYS 132  -9.469   5.316 -19.930
  989   2HB   LYS 132          HB3       LYS 132  -9.830   6.912 -20.526
  990   1HG   LYS 132          HG2       LYS 132  -7.849   5.137 -21.999
  991   2HG   LYS 132          HG3       LYS 132  -9.594   4.927 -22.168
  992   1HD   LYS 132          HD2       LYS 132  -9.426   7.629 -22.613
  993   2HD   LYS 132          HD3       LYS 132  -7.835   7.111 -23.178
  994   1HE   LYS 132          HE2       LYS 132  -9.155   7.076 -25.084
  995   2HE   LYS 132          HE3       LYS 132  -9.038   5.373 -24.615
  996   1HZ   LYS 132          HZ1       LYS 132 -11.270   5.595 -23.646
  997   2HZ   LYS 132          HZ2       LYS 132 -11.321   7.192 -24.055
  998   3HZ   LYS 132          HZ3       LYS 132 -11.299   6.038 -25.215
  999    H    GLU 133           H        GLU 133  -7.929   8.992 -20.916
 1000    HA   GLU 133           HA       GLU 133  -5.692   8.599 -22.691
 1001   1HB   GLU 133          HB2       GLU 133  -7.032  11.150 -21.681
 1002   2HB   GLU 133          HB3       GLU 133  -5.738  11.110 -22.889
 1003   1HG   GLU 133          HG2       GLU 133  -7.150   9.702 -24.365
 1004   2HG   GLU 133          HG3       GLU 133  -8.481   9.822 -23.216
 1005    H    PHE 134           H        PHE 134  -5.940  10.317 -19.543
 1006    HA   PHE 134           HA       PHE 134  -3.277  11.184 -19.441
 1007   1HB   PHE 134          HB2       PHE 134  -4.923  12.038 -17.971
 1008   2HB   PHE 134          HB3       PHE 134  -5.354  10.429 -17.397
 1009    HD1  PHE 134           HD1      PHE 134  -4.233   9.333 -15.648
 1010    HD2  PHE 134           HD2      PHE 134  -2.800  13.111 -17.147
 1011    HE1  PHE 134           HE1      PHE 134  -2.726   9.548 -13.674
 1012    HE2  PHE 134           HE2      PHE 134  -1.270  13.302 -15.210
 1013    HZ   PHE 134           HZ       PHE 134  -1.250  11.518 -13.472
 1014    H    ALA 135           H        ALA 135  -4.646   8.008 -18.585
 1015    HA   ALA 135           HA       ALA 135  -2.189   6.965 -17.530
 1016   1HB   ALA 135          HB1       ALA 135  -4.352   6.039 -16.856
 1017   2HB   ALA 135          HB2       ALA 135  -4.675   5.517 -18.526
 1018   3HB   ALA 135          HB3       ALA 135  -3.346   4.785 -17.602
 1019    H    GLU 136           H        GLU 136  -3.880   6.597 -20.653
 1020    HA   GLU 136           HA       GLU 136  -2.006   4.756 -21.766
 1021   1HB   GLU 136          HB2       GLU 136  -4.202   6.479 -22.966
 1022   2HB   GLU 136          HB3       GLU 136  -3.225   5.392 -23.946
 1023   1HG   GLU 136          HG2       GLU 136  -4.864   4.450 -21.551
 1024   2HG   GLU 136          HG3       GLU 136  -5.446   4.457 -23.210
 1025    H    THR 137           H        THR 137  -2.362   8.274 -22.027
 1026    HA   THR 137           HA       THR 137  -0.227   8.437 -23.936
 1027    HB   THR 137           HB       THR 137  -0.781  10.733 -24.138
 1028    HG1  THR 137           HG1      THR 137  -2.658  10.351 -22.069
 1029   1HG2  THR 137          HG21      THR 137  -3.122  10.535 -24.868
 1030   2HG2  THR 137          HG22      THR 137  -2.190   9.095 -25.325
 1031   3HG2  THR 137          HG23      THR 137  -3.308   9.022 -23.957
 1032    H    GLY 138           H        GLY 138  -0.577   8.599 -20.470
 1033   1HA   GLY 138          HA1       GLY 138   0.823   9.053 -18.766
 1034   2HA   GLY 138          HA2       GLY 138   2.208   8.954 -19.885
 1035    H    LYS 139           H        LYS 139  -0.653  11.045 -19.989
 1036    HA   LYS 139           HA       LYS 139   0.563  13.271 -20.995
 1037   1HB   LYS 139          HB2       LYS 139  -1.926  12.634 -20.661
 1038   2HB   LYS 139          HB3       LYS 139  -1.819  13.494 -19.127
 1039   1HG   LYS 139          HG2       LYS 139  -1.222  15.555 -20.234
 1040   2HG   LYS 139          HG3       LYS 139  -1.010  14.743 -21.786
 1041   1HD   LYS 139          HD2       LYS 139  -3.625  15.169 -20.292
 1042   2HD   LYS 139          HD3       LYS 139  -3.113  15.967 -21.771
 1043   1HE   LYS 139          HE2       LYS 139  -3.937  13.051 -21.424
 1044   2HE   LYS 139          HE3       LYS 139  -4.765  14.317 -22.332
 1045   1HZ   LYS 139          HZ1       LYS 139  -3.654  13.017 -23.894
 1046   2HZ   LYS 139          HZ2       LYS 139  -2.694  14.331 -23.781
 1047   3HZ   LYS 139          HZ3       LYS 139  -2.279  12.905 -23.043
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1   0.475  -0.941  -2.275
    2   2H    MET   1           H2       MET   1   2.106  -0.864  -2.160
    3   3H    MET   1           H3       MET   1   1.280  -2.034  -1.356
    4    HA   MET   1           HA       MET   1   0.200  -0.432   0.034
    5   1HB   MET   1          HB2       MET   1   3.235  -0.173   0.036
    6   2HB   MET   1          HB3       MET   1   2.175   0.500   1.277
    7   1HG   MET   1          HG2       MET   1   1.266  -1.778   1.716
    8   2HG   MET   1          HG3       MET   1   2.442  -2.451   0.587
    9   1HE   MET   1          HE1       MET   1   5.010  -2.646   1.013
   10   2HE   MET   1          HE2       MET   1   5.172  -0.883   1.195
   11   3HE   MET   1          HE3       MET   1   5.852  -1.968   2.422
   12    H    GLU   2           H        GLU   2   2.933   1.534  -1.371
   13    HA   GLU   2           HA       GLU   2   1.128   3.431  -2.570
   14   1HB   GLU   2          HB2       GLU   2   1.876   5.358  -1.241
   15   2HB   GLU   2          HB3       GLU   2   1.008   4.208  -0.231
   16   1HG   GLU   2          HG2       GLU   2   3.187   3.338   0.636
   17   2HG   GLU   2          HG3       GLU   2   4.040   4.522  -0.356
   18    H    ASN   3           H        ASN   3   2.602   5.218  -3.608
   19    HA   ASN   3           HA       ASN   3   5.425   4.740  -3.709
   20   1HB   ASN   3          HB2       ASN   3   5.254   3.019  -5.225
   21   2HB   ASN   3          HB3       ASN   3   3.746   3.579  -5.900
   22   1HD2  ASN   3          HD22      ASN   3   3.763   4.896  -7.725
   23   2HD2  ASN   3          HD21      ASN   3   5.245   5.397  -8.532
   24    H    LYS   4           H        LYS   4   2.610   6.209  -5.381
   25    HA   LYS   4           HA       LYS   4   3.791   8.824  -4.775
   26   1HB   LYS   4          HB2       LYS   4   3.631   9.738  -6.993
   27   2HB   LYS   4          HB3       LYS   4   4.718   8.365  -6.976
   28   1HG   LYS   4          HG2       LYS   4   2.835   6.961  -7.956
   29   2HG   LYS   4          HG3       LYS   4   1.891   8.454  -8.115
   30   1HD   LYS   4          HD2       LYS   4   3.680   9.447  -9.513
   31   2HD   LYS   4          HD3       LYS   4   4.669   7.984  -9.310
   32   1HE   LYS   4          HE2       LYS   4   2.872   6.646 -10.421
   33   2HE   LYS   4          HE3       LYS   4   1.947   8.132 -10.657
   34   1HZ   LYS   4          HZ1       LYS   4   3.754   8.973 -12.039
   35   2HZ   LYS   4          HZ2       LYS   4   4.615   7.597 -11.831
   36   3HZ   LYS   4          HZ3       LYS   4   3.197   7.560 -12.635
   37    H    ILE   5           H        ILE   5   2.053  10.600  -5.643
   38    HA   ILE   5           HA       ILE   5  -0.597   9.665  -4.630
   39    HB   ILE   5           HB       ILE   5   1.081  12.041  -3.747
   40   1HG1  ILE   5          HG12      ILE   5   0.031   9.743  -2.055
   41   2HG1  ILE   5          HG13      ILE   5   1.670   9.839  -2.691
   42   1HG2  ILE   5          HG21      ILE   5  -1.786  11.355  -2.965
   43   2HG2  ILE   5          HG22      ILE   5  -0.815  12.646  -2.216
   44   3HG2  ILE   5          HG23      ILE   5  -1.271  12.770  -3.898
   45   1HD1  ILE   5          HD11      ILE   5   2.005  11.987  -1.441
   46   2HD1  ILE   5          HD12      ILE   5   0.434  11.713  -0.648
   47   3HD1  ILE   5          HD13      ILE   5   1.749  10.554  -0.426
   48    H    ILE   6           H        ILE   6  -2.299  10.508  -5.702
   49    HA   ILE   6           HA       ILE   6  -1.935  12.854  -7.475
   50    HB   ILE   6           HB       ILE   6  -2.044  11.062  -8.990
   51   1HG1  ILE   6          HG12      ILE   6  -4.852  12.227  -8.758
   52   2HG1  ILE   6          HG13      ILE   6  -3.456  13.006  -9.505
   53   1HG2  ILE   6          HG21      ILE   6  -4.456   9.929  -7.527
   54   2HG2  ILE   6          HG22      ILE   6  -3.726   9.270  -9.007
   55   3HG2  ILE   6          HG23      ILE   6  -2.823   9.239  -7.509
   56   1HD1  ILE   6          HD11      ILE   6  -4.793  12.099 -11.266
   57   2HD1  ILE   6          HD12      ILE   6  -3.372  11.042 -11.141
   58   3HD1  ILE   6          HD13      ILE   6  -4.938  10.531 -10.468
   59    H    TYR   7           H        TYR   7  -3.449  14.419  -7.081
   60    HA   TYR   7           HA       TYR   7  -5.529  13.832  -5.036
   61   1HB   TYR   7          HB2       TYR   7  -3.387  14.810  -4.190
   62   2HB   TYR   7          HB3       TYR   7  -3.663  16.220  -5.196
   63    HD1  TYR   7           HD1      TYR   7  -6.227  14.368  -3.092
   64    HD2  TYR   7           HD2      TYR   7  -3.766  17.877  -3.541
   65    HE1  TYR   7           HE1      TYR   7  -7.165  15.289  -0.993
   66    HE2  TYR   7           HE2      TYR   7  -4.664  18.761  -1.396
   67    HH   TYR   7           HH       TYR   7  -5.772  18.278   0.451
   68    H    PHE   8           H        PHE   8  -7.452  14.076  -6.130
   69    HA   PHE   8           HA       PHE   8  -7.703  15.950  -8.369
   70   1HB   PHE   8          HB2       PHE   8  -9.733  14.228  -6.877
   71   2HB   PHE   8          HB3       PHE   8 -10.132  15.266  -8.242
   72    HD1  PHE   8           HD1      PHE   8  -8.798  12.027  -7.271
   73    HD2  PHE   8           HD2      PHE   8  -8.902  14.943 -10.450
   74    HE1  PHE   8           HE1      PHE   8  -7.929  10.337  -8.871
   75    HE2  PHE   8           HE2      PHE   8  -8.012  13.250 -12.033
   76    HZ   PHE   8           HZ       PHE   8  -7.506  10.957 -11.229
   77    H    LEU   9           H        LEU   9  -8.881  17.860  -8.433
   78    HA   LEU   9           HA       LEU   9  -9.783  19.078  -5.889
   79   1HB   LEU   9          HB2       LEU   9  -7.327  19.488  -6.307
   80   2HB   LEU   9          HB3       LEU   9  -7.718  20.218  -7.846
   81    HG   LEU   9           HG       LEU   9  -7.133  21.805  -6.054
   82   1HD1  LEU   9          HD11      LEU   9 -10.027  22.320  -6.772
   83   2HD1  LEU   9          HD12      LEU   9  -8.730  23.480  -6.480
   84   3HD1  LEU   9          HD13      LEU   9  -8.689  22.486  -7.942
   85   1HD2  LEU   9          HD21      LEU   9  -9.727  21.002  -4.702
   86   2HD2  LEU   9          HD22      LEU   9  -8.096  20.588  -4.147
   87   3HD2  LEU   9          HD23      LEU   9  -8.618  22.288  -4.204
   88    H    CYS  10           H        CYS  10 -11.718  20.213  -6.307
   89    HA   CYS  10           HA       CYS  10 -12.139  21.389  -8.945
   90   1HB   CYS  10          HB2       CYS  10 -12.980  18.857  -8.840
   91   2HB   CYS  10          HB3       CYS  10 -14.349  19.560  -7.967
   92    HG   CYS  10           HG       CYS  10 -13.034  20.434 -10.897
   93    H    THR  11           H        THR  11 -14.516  22.577  -8.848
   94    HA   THR  11           HA       THR  11 -14.369  24.256  -6.535
   95    HB   THR  11           HB       THR  11 -16.603  25.122  -7.585
   96    HG1  THR  11           HG1      THR  11 -16.672  24.663  -9.802
   97   1HG2  THR  11          HG21      THR  11 -14.329  26.197  -7.658
   98   2HG2  THR  11          HG22      THR  11 -13.994  25.288  -9.146
   99   3HG2  THR  11          HG23      THR  11 -15.304  26.481  -9.110
  100    H    GLY  12           H        GLY  12 -15.719  21.186  -6.821
  101   1HA   GLY  12          HA1       GLY  12 -16.614  21.347  -4.114
  102   2HA   GLY  12          HA2       GLY  12 -17.952  20.993  -5.237
  103    H    ASN  13           H        ASN  13 -15.825  19.496  -3.291
  104    HA   ASN  13           HA       ASN  13 -14.464  17.555  -4.871
  105   1HB   ASN  13          HB2       ASN  13 -13.999  18.102  -2.481
  106   2HB   ASN  13          HB3       ASN  13 -15.522  17.390  -2.002
  107   1HD2  ASN  13          HD22      ASN  13 -13.017  16.622  -0.971
  108   2HD2  ASN  13          HD21      ASN  13 -12.638  14.990  -1.494
  109    H    SER  14           H        SER  14 -17.514  17.458  -3.147
  110    HA   SER  14           HA       SER  14 -18.296  14.972  -2.970
  111   1HB   SER  14          HB2       SER  14 -20.040  17.367  -3.649
  112   2HB   SER  14          HB3       SER  14 -20.530  15.929  -2.724
  113    HG   SER  14           HG       SER  14 -18.890  16.422  -1.229
  114    H    CYS  15           H        CYS  15 -18.234  16.417  -6.164
  115    HA   CYS  15           HA       CYS  15 -19.625  13.986  -7.179
  116   1HB   CYS  15          HB2       CYS  15 -20.451  15.447  -9.074
  117   2HB   CYS  15          HB3       CYS  15 -21.228  15.697  -7.505
  118    HG   CYS  15           HG       CYS  15 -20.998  18.059  -8.619
  119    H    ARG  16           H        ARG  16 -17.790  16.699  -8.634
  120    HA   ARG  16           HA       ARG  16 -16.744  15.020 -10.646
  121   1HB   ARG  16          HB2       ARG  16 -15.959  17.796  -9.661
  122   2HB   ARG  16          HB3       ARG  16 -15.157  17.044 -11.042
  123   1HG   ARG  16          HG2       ARG  16 -17.128  16.920 -12.332
  124   2HG   ARG  16          HG3       ARG  16 -18.199  17.189 -10.959
  125   1HD   ARG  16          HD2       ARG  16 -16.255  19.282 -11.980
  126   2HD   ARG  16          HD3       ARG  16 -17.919  19.135 -12.549
  127    HE   ARG  16           HE       ARG  16 -18.243  19.258  -9.826
  128   1HH1  ARG  16          HH21      ARG  16 -16.641  21.407 -12.184
  129   2HH1  ARG  16          HH22      ARG  16 -16.593  22.743 -11.058
  130   1HH2  ARG  16          HH11      ARG  16 -18.670  21.210  -8.691
  131   2HH2  ARG  16          HH12      ARG  16 -17.635  22.589  -9.023
  132    H    SER  17           H        SER  17 -15.028  16.164  -7.644
  133    HA   SER  17           HA       SER  17 -12.657  14.736  -8.369
  134   1HB   SER  17          HB2       SER  17 -13.475  15.607  -5.595
  135   2HB   SER  17          HB3       SER  17 -11.840  15.366  -6.236
  136    HG   SER  17           HG       SER  17 -12.378  17.546  -6.125
  137    H    GLN  18           H        GLN  18 -15.488  13.872  -6.307
  138    HA   GLN  18           HA       GLN  18 -14.460  11.389  -5.358
  139   1HB   GLN  18          HB2       GLN  18 -17.315  12.333  -5.965
  140   2HB   GLN  18          HB3       GLN  18 -16.958  10.792  -5.203
  141   1HG   GLN  18          HG2       GLN  18 -16.232  13.511  -4.062
  142   2HG   GLN  18          HG3       GLN  18 -17.592  12.520  -3.564
  143   1HE2  GLN  18          HE22      GLN  18 -14.576  13.376  -2.603
  144   2HE2  GLN  18          HE21      GLN  18 -14.215  11.981  -1.594
  145    H    MET  19           H        MET  19 -16.351  12.093  -8.363
  146    HA   MET  19           HA       MET  19 -16.454   9.350  -9.217
  147   1HB   MET  19          HB2       MET  19 -16.593  11.967 -10.793
  148   2HB   MET  19          HB3       MET  19 -16.892  10.371 -11.487
  149   1HG   MET  19          HG2       MET  19 -18.836  10.033 -10.110
  150   2HG   MET  19          HG3       MET  19 -18.524  11.514  -9.204
  151   1HE   MET  19          HE1       MET  19 -20.902  12.548  -9.585
  152   2HE   MET  19          HE2       MET  19 -21.707  12.637 -11.168
  153   3HE   MET  19          HE3       MET  19 -21.402  11.058 -10.423
  154    H    ALA  20           H        ALA  20 -14.193  12.068 -10.035
  155    HA   ALA  20           HA       ALA  20 -12.600  10.665 -11.862
  156   1HB   ALA  20          HB1       ALA  20 -12.481  13.125 -11.426
  157   2HB   ALA  20          HB2       ALA  20 -11.685  12.785  -9.874
  158   3HB   ALA  20          HB3       ALA  20 -10.895  12.339 -11.400
  159    H    GLU  21           H        GLU  21 -12.310  10.863  -8.298
  160    HA   GLU  21           HA       GLU  21  -9.949   9.363  -8.001
  161   1HB   GLU  21          HB2       GLU  21 -10.836  10.643  -6.182
  162   2HB   GLU  21          HB3       GLU  21 -12.365   9.750  -6.185
  163   1HG   GLU  21          HG2       GLU  21 -11.244   7.717  -5.507
  164   2HG   GLU  21          HG3       GLU  21  -9.667   8.504  -5.554
  165    H    GLY  22           H        GLY  22 -13.394   8.183  -7.969
  166   1HA   GLY  22          HA1       GLY  22 -12.825   5.472  -7.669
  167   2HA   GLY  22          HA2       GLY  22 -14.245   6.132  -8.474
  168    H    TRP  23           H        TRP  23 -13.105   7.287 -10.851
  169    HA   TRP  23           HA       TRP  23 -12.600   4.873 -12.385
  170   1HB   TRP  23          HB2       TRP  23 -12.227   7.796 -13.149
  171   2HB   TRP  23          HB3       TRP  23 -12.005   6.448 -14.243
  172    HD1  TRP  23           HD1      TRP  23 -14.671   8.514 -12.593
  173    HE1  TRP  23           HE1      TRP  23 -16.906   8.175 -13.715
  174    HE3  TRP  23           HE3      TRP  23 -13.454   4.582 -15.658
  175    HZ2  TRP  23           HZ2      TRP  23 -18.049   6.484 -15.741
  176    HZ3  TRP  23           HZ3      TRP  23 -15.144   3.695 -17.238
  177    HH2  TRP  23           HH2      TRP  23 -17.463   4.668 -17.276
  178    H    ALA  24           H        ALA  24 -10.429   7.475 -11.128
  179    HA   ALA  24           HA       ALA  24  -8.160   6.630 -12.559
  180   1HB   ALA  24          HB1       ALA  24  -8.378   8.808 -11.290
  181   2HB   ALA  24          HB2       ALA  24  -8.227   7.908  -9.779
  182   3HB   ALA  24          HB3       ALA  24  -6.872   7.948 -10.926
  183    H    LYS  25           H        LYS  25  -9.466   5.447  -9.448
  184    HA   LYS  25           HA       LYS  25  -7.252   3.852  -8.695
  185   1HB   LYS  25          HB2       LYS  25 -10.235   3.496  -8.253
  186   2HB   LYS  25          HB3       LYS  25  -9.041   2.397  -7.556
  187   1HG   LYS  25          HG2       LYS  25  -8.016   4.117  -6.246
  188   2HG   LYS  25          HG3       LYS  25  -8.880   5.399  -7.101
  189   1HD   LYS  25          HD2       LYS  25 -11.043   4.517  -6.239
  190   2HD   LYS  25          HD3       LYS  25 -10.156   3.294  -5.295
  191   1HE   LYS  25          HE2       LYS  25  -9.017   5.037  -4.012
  192   2HE   LYS  25          HE3       LYS  25  -9.645   6.287  -5.090
  193   1HZ   LYS  25          HZ1       LYS  25 -11.211   4.707  -3.149
  194   2HZ   LYS  25          HZ2       LYS  25 -10.969   6.350  -3.199
  195   3HZ   LYS  25          HZ3       LYS  25 -11.908   5.655  -4.318
  196    H    GLN  26           H        GLN  26  -9.725   3.234 -11.170
  197    HA   GLN  26           HA       GLN  26  -8.967   0.455 -11.579
  198   1HB   GLN  26          HB2       GLN  26 -10.242   2.334 -13.583
  199   2HB   GLN  26          HB3       GLN  26 -10.164   0.581 -13.651
  200   1HG   GLN  26          HG2       GLN  26 -11.620   0.487 -11.591
  201   2HG   GLN  26          HG3       GLN  26 -11.802   2.254 -11.701
  202   1HE2  GLN  26          HE22      GLN  26 -12.083   2.854 -14.269
  203   2HE2  GLN  26          HE21      GLN  26 -13.452   2.037 -15.004
  204    H    TYR  27           H        TYR  27  -8.417   3.470 -13.400
  205    HA   TYR  27           HA       TYR  27  -6.735   2.242 -15.329
  206   1HB   TYR  27          HB2       TYR  27  -7.110   5.172 -14.603
  207   2HB   TYR  27          HB3       TYR  27  -6.199   4.616 -15.996
  208    HD1  TYR  27           HD1      TYR  27  -9.441   5.617 -14.913
  209    HD2  TYR  27           HD2      TYR  27  -7.415   2.972 -17.653
  210    HE1  TYR  27           HE1      TYR  27 -11.449   5.576 -16.357
  211    HE2  TYR  27           HE2      TYR  27  -9.444   2.867 -19.061
  212    HH   TYR  27           HH       TYR  27 -11.643   3.609 -19.350
  213    H    LEU  28           H        LEU  28  -5.854   3.948 -12.333
  214    HA   LEU  28           HA       LEU  28  -3.024   4.048 -13.155
  215   1HB   LEU  28          HB2       LEU  28  -4.425   5.156 -10.691
  216   2HB   LEU  28          HB3       LEU  28  -2.790   5.492 -11.203
  217    HG   LEU  28           HG       LEU  28  -5.323   6.366 -12.612
  218   1HD1  LEU  28          HD11      LEU  28  -4.520   8.604 -12.099
  219   2HD1  LEU  28          HD12      LEU  28  -4.580   7.648 -10.604
  220   3HD1  LEU  28          HD13      LEU  28  -3.024   7.953 -11.398
  221   1HD2  LEU  28          HD21      LEU  28  -3.709   5.764 -14.366
  222   2HD2  LEU  28          HD22      LEU  28  -3.888   7.499 -14.244
  223   3HD2  LEU  28          HD23      LEU  28  -2.447   6.720 -13.554
  224    H    GLY  29           H        GLY  29  -4.967   2.539 -10.601
  225   1HA   GLY  29          HA1       GLY  29  -4.581   0.542  -9.502
  226   2HA   GLY  29          HA2       GLY  29  -3.016   0.393 -10.305
  227    H    ASP  30           H        ASP  30  -2.844  -0.392  -7.893
  228    HA   ASP  30           HA       ASP  30  -2.867   1.435  -5.755
  229   1HB   ASP  30          HB2       ASP  30  -3.116  -1.047  -5.620
  230   2HB   ASP  30          HB3       ASP  30  -1.386  -1.214  -5.942
  231    H    GLU  31           H        GLU  31  -0.460   1.062  -8.134
  232    HA   GLU  31           HA       GLU  31   1.893   1.922  -6.774
  233   1HB   GLU  31          HB2       GLU  31   1.738   0.843  -9.015
  234   2HB   GLU  31          HB3       GLU  31   0.986   2.300  -9.666
  235   1HG   GLU  31          HG2       GLU  31   3.019   3.571  -9.346
  236   2HG   GLU  31          HG3       GLU  31   3.751   2.269  -8.394
  237    H    TRP  32           H        TRP  32  -1.053   3.528  -7.142
  238    HA   TRP  32           HA       TRP  32   0.203   6.147  -6.539
  239   1HB   TRP  32          HB2       TRP  32  -2.391   5.708  -8.063
  240   2HB   TRP  32          HB3       TRP  32  -1.606   7.231  -7.715
  241    HD1  TRP  32           HD1      TRP  32  -0.788   4.024  -9.737
  242    HE1  TRP  32           HE1      TRP  32  -0.046   4.709 -12.070
  243    HE3  TRP  32           HE3      TRP  32  -0.734   9.099  -9.097
  244    HZ2  TRP  32           HZ2      TRP  32   0.420   7.132 -13.526
  245    HZ3  TRP  32           HZ3      TRP  32  -0.214  10.587 -11.005
  246    HH2  TRP  32           HH2      TRP  32   0.337   9.610 -13.237
  247    H    LYS  33           H        LYS  33  -0.852   7.234  -4.879
  248    HA   LYS  33           HA       LYS  33  -3.217   5.925  -3.603
  249   1HB   LYS  33          HB2       LYS  33  -1.307   8.048  -2.560
  250   2HB   LYS  33          HB3       LYS  33  -2.766   7.515  -1.724
  251   1HG   LYS  33          HG2       LYS  33  -0.391   5.731  -2.403
  252   2HG   LYS  33          HG3       LYS  33  -0.699   6.503  -0.851
  253   1HD   LYS  33          HD2       LYS  33  -1.398   4.337  -0.514
  254   2HD   LYS  33          HD3       LYS  33  -2.908   5.207  -0.751
  255   1HE   LYS  33          HE2       LYS  33  -3.214   4.229  -2.962
  256   2HE   LYS  33          HE3       LYS  33  -1.524   3.723  -3.030
  257   1HZ   LYS  33          HZ1       LYS  33  -1.960   2.181  -1.241
  258   2HZ   LYS  33          HZ2       LYS  33  -3.563   2.583  -1.208
  259   3HZ   LYS  33          HZ3       LYS  33  -2.888   1.838  -2.517
  260    H    VAL  34           H        VAL  34  -5.090   6.950  -3.623
  261    HA   VAL  34           HA       VAL  34  -5.234   9.306  -5.442
  262    HB   VAL  34           HB       VAL  34  -7.190   6.981  -5.411
  263   1HG1  VAL  34          HG11      VAL  34  -7.737   9.234  -6.510
  264   2HG1  VAL  34          HG12      VAL  34  -6.472   8.852  -7.694
  265   3HG1  VAL  34          HG13      VAL  34  -7.886   7.791  -7.525
  266   1HG2  VAL  34          HG21      VAL  34  -4.690   7.141  -7.146
  267   2HG2  VAL  34          HG22      VAL  34  -5.090   5.866  -5.967
  268   3HG2  VAL  34          HG23      VAL  34  -6.062   6.052  -7.430
  269    H    TYR  35           H        TYR  35  -6.082  10.954  -4.345
  270    HA   TYR  35           HA       TYR  35  -8.433  10.428  -2.627
  271   1HB   TYR  35          HB2       TYR  35  -6.838  12.705  -1.686
  272   2HB   TYR  35          HB3       TYR  35  -7.747  11.519  -0.800
  273    HD1  TYR  35           HD1      TYR  35  -4.523  12.752  -1.606
  274    HD2  TYR  35           HD2      TYR  35  -6.603   9.131  -0.520
  275    HE1  TYR  35           HE1      TYR  35  -2.429  11.835  -0.726
  276    HE2  TYR  35           HE2      TYR  35  -4.481   8.172   0.338
  277    HH   TYR  35           HH       TYR  35  -1.389  10.005   0.323
  278    H    SER  36           H        SER  36  -9.596  12.572  -2.231
  279    HA   SER  36           HA       SER  36  -9.438  14.393  -4.560
  280   1HB   SER  36          HB2       SER  36 -12.001  14.168  -4.523
  281   2HB   SER  36          HB3       SER  36 -11.087  12.826  -5.237
  282    HG   SER  36           HG       SER  36 -11.438  11.613  -3.457
  283    H    ALA  37           H        ALA  37  -9.957  16.466  -4.098
  284    HA   ALA  37           HA       ALA  37 -11.254  17.180  -1.556
  285   1HB   ALA  37          HB1       ALA  37  -9.673  18.907  -1.160
  286   2HB   ALA  37          HB2       ALA  37  -8.895  17.333  -1.088
  287   3HB   ALA  37          HB3       ALA  37  -8.653  18.379  -2.527
  288    H    GLY  38           H        GLY  38 -11.449  19.810  -1.817
  289   1HA   GLY  38          HA1       GLY  38 -11.858  20.747  -4.487
  290   2HA   GLY  38          HA2       GLY  38 -13.390  20.386  -3.680
  291    H    ILE  39           H        ILE  39 -13.019  22.910  -4.372
  292    HA   ILE  39           HA       ILE  39 -11.945  24.707  -2.426
  293    HB   ILE  39           HB       ILE  39 -14.193  24.777  -4.451
  294   1HG1  ILE  39          HG12      ILE  39 -12.920  26.595  -5.457
  295   2HG1  ILE  39          HG13      ILE  39 -11.781  26.590  -4.114
  296   1HG2  ILE  39          HG21      ILE  39 -14.642  27.155  -4.002
  297   2HG2  ILE  39          HG22      ILE  39 -15.176  26.114  -2.691
  298   3HG2  ILE  39          HG23      ILE  39 -13.672  27.053  -2.515
  299   1HD1  ILE  39          HD11      ILE  39 -10.890  25.554  -6.180
  300   2HD1  ILE  39          HD12      ILE  39 -10.902  24.402  -4.842
  301   3HD1  ILE  39          HD13      ILE  39 -12.152  24.328  -6.117
  302    H    GLU  40           H        GLU  40 -15.010  22.882  -2.635
  303    HA   GLU  40           HA       GLU  40 -15.130  22.894   0.290
  304   1HB   GLU  40          HB2       GLU  40 -17.455  23.526   0.426
  305   2HB   GLU  40          HB3       GLU  40 -16.515  24.820  -0.301
  306   1HG   GLU  40          HG2       GLU  40 -17.313  24.150  -2.561
  307   2HG   GLU  40          HG3       GLU  40 -18.246  22.831  -1.850
  308    H    ALA  41           H        ALA  41 -17.109  21.391   0.916
  309    HA   ALA  41           HA       ALA  41 -17.645  19.201  -0.985
  310   1HB   ALA  41          HB1       ALA  41 -15.614  18.445   0.183
  311   2HB   ALA  41          HB2       ALA  41 -16.340  18.839   1.758
  312   3HB   ALA  41          HB3       ALA  41 -17.032  17.542   0.770
  313    H    HIS  42           H        HIS  42 -19.780  18.777  -0.803
  314    HA   HIS  42           HA       HIS  42 -21.407  19.863   1.407
  315   1HB   HIS  42          HB2       HIS  42 -22.255  19.906  -0.902
  316   2HB   HIS  42          HB3       HIS  42 -22.071  18.158  -1.038
  317    HD1  HIS  42           HD1      HIS  42 -24.198  20.704   1.009
  318    HD2  HIS  42           HD2      HIS  42 -24.112  16.694  -0.283
  319    HE1  HIS  42           HE1      HIS  42 -26.439  19.694   1.663
  320    H    GLY  43           H        GLY  43 -20.427  16.685   0.056
  321   1HA   GLY  43          HA1       GLY  43 -19.933  15.248   2.381
  322   2HA   GLY  43          HA2       GLY  43 -21.663  15.041   2.017
  323    H    LEU  44           H        LEU  44 -20.882  12.706   1.606
  324    HA   LEU  44           HA       LEU  44 -19.592  12.302  -1.027
  325   1HB   LEU  44          HB2       LEU  44 -19.226  10.645   0.804
  326   2HB   LEU  44          HB3       LEU  44 -20.968  10.356   0.885
  327    HG   LEU  44           HG       LEU  44 -20.903   9.596  -1.510
  328   1HD1  LEU  44          HD11      LEU  44 -18.833  10.635  -2.304
  329   2HD1  LEU  44          HD12      LEU  44 -17.888   9.708  -1.118
  330   3HD1  LEU  44          HD13      LEU  44 -18.718   8.882  -2.452
  331   1HD2  LEU  44          HD21      LEU  44 -19.833   7.389  -0.956
  332   2HD2  LEU  44          HD22      LEU  44 -19.229   8.107   0.544
  333   3HD2  LEU  44          HD23      LEU  44 -20.975   7.965   0.273
  334    H    ASN  45           H        ASN  45 -20.915  13.205  -2.604
  335    HA   ASN  45           HA       ASN  45 -23.695  13.591  -2.297
  336   1HB   ASN  45          HB2       ASN  45 -22.131  14.840  -3.823
  337   2HB   ASN  45          HB3       ASN  45 -22.143  13.451  -4.913
  338   1HD2  ASN  45          HD22      ASN  45 -23.286  16.432  -4.873
  339   2HD2  ASN  45          HD21      ASN  45 -24.878  16.185  -5.550
  340    HA   PRO  46           HA       PRO  46 -25.026   9.401  -3.199
  341   1HB   PRO  46          HB2       PRO  46 -27.705   9.803  -3.791
  342   2HB   PRO  46          HB3       PRO  46 -27.009   9.750  -2.143
  343   1HG   PRO  46          HG2       PRO  46 -27.612  12.188  -3.838
  344   2HG   PRO  46          HG3       PRO  46 -28.003  11.913  -2.108
  345   1HD   PRO  46          HD2       PRO  46 -25.840  13.358  -2.850
  346   2HD   PRO  46          HD3       PRO  46 -25.741  12.235  -1.460
  347    H    ASN  47           H        ASN  47 -25.550  12.043  -5.571
  348    HA   ASN  47           HA       ASN  47 -25.996  10.360  -7.872
  349   1HB   ASN  47          HB2       ASN  47 -26.323  12.756  -8.140
  350   2HB   ASN  47          HB3       ASN  47 -24.681  13.092  -7.571
  351   1HD2  ASN  47          HD22      ASN  47 -24.288  14.331  -9.518
  352   2HD2  ASN  47          HD21      ASN  47 -24.041  13.494 -11.035
  353    H    ALA  48           H        ALA  48 -22.977  11.567  -6.256
  354    HA   ALA  48           HA       ALA  48 -21.231  10.479  -8.231
  355   1HB   ALA  48          HB1       ALA  48 -19.470  10.880  -6.630
  356   2HB   ALA  48          HB2       ALA  48 -20.629  12.219  -6.519
  357   3HB   ALA  48          HB3       ALA  48 -20.621  10.952  -5.280
  358    H    VAL  49           H        VAL  49 -22.600   9.113  -5.192
  359    HA   VAL  49           HA       VAL  49 -21.132   6.670  -5.398
  360    HB   VAL  49           HB       VAL  49 -23.812   7.028  -4.017
  361   1HG1  VAL  49          HG11      VAL  49 -21.502   5.049  -3.689
  362   2HG1  VAL  49          HG12      VAL  49 -22.934   5.145  -2.634
  363   3HG1  VAL  49          HG13      VAL  49 -23.112   4.682  -4.331
  364   1HG2  VAL  49          HG21      VAL  49 -22.290   8.705  -3.123
  365   2HG2  VAL  49          HG22      VAL  49 -22.390   7.382  -1.970
  366   3HG2  VAL  49          HG23      VAL  49 -20.970   7.525  -3.035
  367    H    LYS  50           H        LYS  50 -24.534   7.472  -6.473
  368    HA   LYS  50           HA       LYS  50 -24.923   4.837  -7.459
  369   1HB   LYS  50          HB2       LYS  50 -26.720   6.547  -6.915
  370   2HB   LYS  50          HB3       LYS  50 -26.376   7.312  -8.475
  371   1HG   LYS  50          HG2       LYS  50 -26.916   5.140  -9.621
  372   2HG   LYS  50          HG3       LYS  50 -27.231   4.403  -8.042
  373   1HD   LYS  50          HD2       LYS  50 -29.011   6.122  -7.647
  374   2HD   LYS  50          HD3       LYS  50 -28.774   6.725  -9.283
  375   1HE   LYS  50          HE2       LYS  50 -29.579   3.853  -8.604
  376   2HE   LYS  50          HE3       LYS  50 -30.727   5.155  -8.901
  377   1HZ   LYS  50          HZ1       LYS  50 -28.895   3.940 -10.886
  378   2HZ   LYS  50          HZ2       LYS  50 -30.505   4.019 -10.895
  379   3HZ   LYS  50          HZ3       LYS  50 -29.664   5.387 -11.145
  380    H    ALA  51           H        ALA  51 -23.893   7.834  -9.177
  381    HA   ALA  51           HA       ALA  51 -23.889   6.848 -11.772
  382   1HB   ALA  51          HB1       ALA  51 -22.195   8.635 -12.214
  383   2HB   ALA  51          HB2       ALA  51 -23.501   9.229 -11.170
  384   3HB   ALA  51          HB3       ALA  51 -21.920   8.795 -10.470
  385    H    MET  52           H        MET  52 -21.256   6.609  -9.323
  386    HA   MET  52           HA       MET  52 -19.502   5.194 -11.139
  387   1HB   MET  52          HB2       MET  52 -19.504   5.741  -8.148
  388   2HB   MET  52          HB3       MET  52 -18.162   5.006  -9.023
  389   1HG   MET  52          HG2       MET  52 -19.290   7.801  -9.450
  390   2HG   MET  52          HG3       MET  52 -17.760   7.400  -8.686
  391   1HE   MET  52          HE1       MET  52 -16.574   5.198 -10.399
  392   2HE   MET  52          HE2       MET  52 -15.651   6.008 -11.652
  393   3HE   MET  52          HE3       MET  52 -15.606   6.629  -9.988
  394    H    LYS  53           H        LYS  53 -21.785   4.222  -8.507
  395    HA   LYS  53           HA       LYS  53 -20.951   1.515  -8.399
  396   1HB   LYS  53          HB2       LYS  53 -22.339   2.791  -6.730
  397   2HB   LYS  53          HB3       LYS  53 -23.694   2.723  -7.867
  398   1HG   LYS  53          HG2       LYS  53 -23.494   0.169  -7.725
  399   2HG   LYS  53          HG3       LYS  53 -22.338   0.409  -6.405
  400   1HD   LYS  53          HD2       LYS  53 -25.185   1.477  -6.533
  401   2HD   LYS  53          HD3       LYS  53 -24.723   0.022  -5.653
  402   1HE   LYS  53          HE2       LYS  53 -23.661   2.821  -5.039
  403   2HE   LYS  53          HE3       LYS  53 -25.084   2.119  -4.273
  404   1HZ   LYS  53          HZ1       LYS  53 -22.313   1.065  -4.017
  405   2HZ   LYS  53          HZ2       LYS  53 -23.168   1.828  -2.888
  406   3HZ   LYS  53          HZ3       LYS  53 -23.661   0.352  -3.391
  407    H    GLU  54           H        GLU  54 -23.168   3.276 -10.524
  408    HA   GLU  54           HA       GLU  54 -24.110   1.036 -12.025
  409   1HB   GLU  54          HB2       GLU  54 -24.038   4.032 -12.513
  410   2HB   GLU  54          HB3       GLU  54 -24.855   2.935 -13.614
  411   1HG   GLU  54          HG2       GLU  54 -25.554   2.954 -10.657
  412   2HG   GLU  54          HG3       GLU  54 -26.171   4.183 -11.755
  413    H    VAL  55           H        VAL  55 -20.992   2.000 -11.796
  414    HA   VAL  55           HA       VAL  55 -20.305   0.986 -14.524
  415    HB   VAL  55           HB       VAL  55 -18.439   2.524 -12.668
  416   1HG1  VAL  55          HG11      VAL  55 -18.278   1.969 -15.663
  417   2HG1  VAL  55          HG12      VAL  55 -17.144   2.970 -14.731
  418   3HG1  VAL  55          HG13      VAL  55 -17.244   1.254 -14.407
  419   1HG2  VAL  55          HG21      VAL  55 -18.732   4.525 -14.024
  420   2HG2  VAL  55          HG22      VAL  55 -19.973   3.715 -15.004
  421   3HG2  VAL  55          HG23      VAL  55 -20.246   4.065 -13.277
  422    H    GLY  56           H        GLY  56 -20.703   0.075 -11.290
  423   1HA   GLY  56          HA1       GLY  56 -20.004  -1.771 -10.128
  424   2HA   GLY  56          HA2       GLY  56 -18.889  -2.212 -11.433
  425    H    ILE  57           H        ILE  57 -18.892   1.079 -10.040
  426    HA   ILE  57           HA       ILE  57 -16.309   0.518  -8.658
  427    HB   ILE  57           HB       ILE  57 -17.174   3.068 -10.059
  428   1HG1  ILE  57          HG12      ILE  57 -15.045   1.056 -10.916
  429   2HG1  ILE  57          HG13      ILE  57 -16.616   1.268 -11.690
  430   1HG2  ILE  57          HG21      ILE  57 -14.510   2.302  -8.763
  431   2HG2  ILE  57          HG22      ILE  57 -14.901   3.860  -9.516
  432   3HG2  ILE  57          HG23      ILE  57 -15.720   3.379  -8.039
  433   1HD1  ILE  57          HD11      ILE  57 -16.000   3.692 -12.110
  434   2HD1  ILE  57          HD12      ILE  57 -14.329   3.250 -11.647
  435   3HD1  ILE  57          HD13      ILE  57 -15.121   2.478 -13.031
  436    H    ASP  58           H        ASP  58 -17.262   0.073  -6.737
  437    HA   ASP  58           HA       ASP  58 -19.546   1.594  -5.755
  438   1HB   ASP  58          HB2       ASP  58 -19.419  -0.798  -5.361
  439   2HB   ASP  58          HB3       ASP  58 -17.907  -0.610  -4.458
  440    H    ILE  59           H        ILE  59 -18.564   3.743  -5.747
  441    HA   ILE  59           HA       ILE  59 -16.367   4.245  -3.972
  442    HB   ILE  59           HB       ILE  59 -16.526   6.520  -4.490
  443   1HG1  ILE  59          HG12      ILE  59 -19.102   6.249  -6.030
  444   2HG1  ILE  59          HG13      ILE  59 -19.108   6.647  -4.316
  445   1HG2  ILE  59          HG21      ILE  59 -16.308   6.542  -6.897
  446   2HG2  ILE  59          HG22      ILE  59 -15.596   5.069  -6.225
  447   3HG2  ILE  59          HG23      ILE  59 -17.185   5.006  -7.019
  448   1HD1  ILE  59          HD11      ILE  59 -17.830   8.303  -6.509
  449   2HD1  ILE  59          HD12      ILE  59 -19.188   8.717  -5.436
  450   3HD1  ILE  59          HD13      ILE  59 -17.565   8.572  -4.769
  451    H    SER  60           H        SER  60 -19.312   3.277  -2.958
  452    HA   SER  60           HA       SER  60 -20.260   5.189  -1.187
  453   1HB   SER  60          HB2       SER  60 -20.130   2.202  -0.613
  454   2HB   SER  60          HB3       SER  60 -21.304   3.372   0.009
  455    HG   SER  60           HG       SER  60 -21.065   2.177  -2.519
  456    H    ASN  61           H        ASN  61 -17.370   3.197  -0.919
  457    HA   ASN  61           HA       ASN  61 -16.931   3.559   1.902
  458   1HB   ASN  61          HB2       ASN  61 -16.083   1.619   0.594
  459   2HB   ASN  61          HB3       ASN  61 -15.033   2.705  -0.321
  460   1HD2  ASN  61          HD22      ASN  61 -12.915   2.607   0.424
  461   2HD2  ASN  61          HD21      ASN  61 -12.456   2.365   2.087
  462    H    GLN  62           H        GLN  62 -16.404   5.695  -0.810
  463    HA   GLN  62           HA       GLN  62 -14.031   6.995   0.203
  464   1HB   GLN  62          HB2       GLN  62 -16.029   7.904  -1.915
  465   2HB   GLN  62          HB3       GLN  62 -14.461   8.646  -1.553
  466   1HG   GLN  62          HG2       GLN  62 -13.334   6.505  -2.139
  467   2HG   GLN  62          HG3       GLN  62 -14.893   5.849  -2.647
  468   1HE2  GLN  62          HE22      GLN  62 -15.017   9.107  -3.653
  469   2HE2  GLN  62          HE21      GLN  62 -14.451   8.814  -5.293
  470    H    THR  63           H        THR  63 -14.232   9.469   0.527
  471    HA   THR  63           HA       THR  63 -16.695  10.436   1.688
  472    HB   THR  63           HB       THR  63 -15.226  11.380   3.657
  473    HG1  THR  63           HG1      THR  63 -13.237  10.519   2.988
  474   1HG2  THR  63          HG21      THR  63 -15.990   8.435   3.767
  475   2HG2  THR  63          HG22      THR  63 -15.826   9.565   5.125
  476   3HG2  THR  63          HG23      THR  63 -17.127   9.791   3.947
  477    H    SER  64           H        SER  64 -16.648  12.809   1.806
  478    HA   SER  64           HA       SER  64 -14.702  13.974  -0.101
  479   1HB   SER  64          HB2       SER  64 -17.369  15.034   0.890
  480   2HB   SER  64          HB3       SER  64 -16.376  15.690  -0.429
  481    HG   SER  64           HG       SER  64 -18.254  14.156  -0.858
  482    H    ASP  65           H        ASP  65 -13.733  15.951   0.401
  483    HA   ASP  65           HA       ASP  65 -13.806  17.119   3.084
  484   1HB   ASP  65          HB2       ASP  65 -12.080  15.203   3.099
  485   2HB   ASP  65          HB3       ASP  65 -11.192  16.122   1.869
  486    H    ILE  66           H        ILE  66 -12.482  19.196   3.034
  487    HA   ILE  66           HA       ILE  66 -12.480  20.370   0.314
  488    HB   ILE  66           HB       ILE  66 -12.696  22.450   1.291
  489   1HG1  ILE  66          HG12      ILE  66 -11.988  21.234   3.986
  490   2HG1  ILE  66          HG13      ILE  66 -11.043  22.407   3.045
  491   1HG2  ILE  66          HG21      ILE  66 -14.800  22.298   2.423
  492   2HG2  ILE  66          HG22      ILE  66 -14.686  20.828   1.434
  493   3HG2  ILE  66          HG23      ILE  66 -14.386  20.748   3.170
  494   1HD1  ILE  66          HD11      ILE  66 -13.688  22.861   4.449
  495   2HD1  ILE  66          HD12      ILE  66 -12.127  23.635   4.779
  496   3HD1  ILE  66          HD13      ILE  66 -13.007  24.007   3.269
  497    H    ILE  67           H        ILE  67 -10.542  21.804  -0.130
  498    HA   ILE  67           HA       ILE  67  -8.360  20.103  -0.193
  499    HB   ILE  67           HB       ILE  67  -8.865  21.696  -1.866
  500   1HG1  ILE  67          HG12      ILE  67  -6.572  20.672  -1.582
  501   2HG1  ILE  67          HG13      ILE  67  -6.754  22.036  -2.668
  502   1HG2  ILE  67          HG21      ILE  67  -9.532  23.670  -0.635
  503   2HG2  ILE  67          HG22      ILE  67  -7.849  23.935  -0.091
  504   3HG2  ILE  67          HG23      ILE  67  -8.262  24.036  -1.809
  505   1HD1  ILE  67          HD11      ILE  67  -5.610  22.305   0.134
  506   2HD1  ILE  67          HD12      ILE  67  -4.671  22.159  -1.351
  507   3HD1  ILE  67          HD13      ILE  67  -5.718  23.564  -1.103
  508    H    ASP  68           H        ASP  68  -7.142  19.329   1.244
  509    HA   ASP  68           HA       ASP  68  -6.078  20.945   3.489
  510   1HB   ASP  68          HB2       ASP  68  -6.701  18.643   4.019
  511   2HB   ASP  68          HB3       ASP  68  -5.700  18.020   2.702
  512    H    SER  69           H        SER  69  -4.349  22.187   3.034
  513    HA   SER  69           HA       SER  69  -3.108  22.124   0.525
  514   1HB   SER  69          HB2       SER  69  -2.032  23.544   2.982
  515   2HB   SER  69          HB3       SER  69  -1.971  24.078   1.291
  516    HG   SER  69           HG       SER  69  -3.591  25.147   2.568
  517    H    ASP  70           H        ASP  70  -2.233  20.314   3.406
  518    HA   ASP  70           HA       ASP  70   0.601  20.319   2.795
  519   1HB   ASP  70          HB2       ASP  70  -0.216  20.120   5.133
  520   2HB   ASP  70          HB3       ASP  70  -0.906  18.542   4.737
  521    H    ILE  71           H        ILE  71  -2.186  18.111   2.426
  522    HA   ILE  71           HA       ILE  71  -0.703  15.982   1.172
  523    HB   ILE  71           HB       ILE  71  -3.635  16.777   1.029
  524   1HG1  ILE  71          HG12      ILE  71  -2.118  14.451   2.312
  525   2HG1  ILE  71          HG13      ILE  71  -2.763  15.854   3.172
  526   1HG2  ILE  71          HG21      ILE  71  -3.050  15.648  -1.127
  527   2HG2  ILE  71          HG22      ILE  71  -2.350  14.296  -0.218
  528   3HG2  ILE  71          HG23      ILE  71  -4.093  14.656  -0.143
  529   1HD1  ILE  71          HD11      ILE  71  -4.341  13.632   1.827
  530   2HD1  ILE  71          HD12      ILE  71  -4.270  14.043   3.545
  531   3HD1  ILE  71          HD13      ILE  71  -5.082  15.147   2.414
  532    H    LEU  72           H        LEU  72  -2.354  18.897  -0.170
  533    HA   LEU  72           HA       LEU  72  -1.761  18.408  -2.878
  534   1HB   LEU  72          HB2       LEU  72  -3.307  20.126  -2.144
  535   2HB   LEU  72          HB3       LEU  72  -2.061  20.968  -1.271
  536    HG   LEU  72           HG       LEU  72  -1.300  20.668  -4.083
  537   1HD1  LEU  72          HD11      LEU  72  -3.734  20.575  -4.496
  538   2HD1  LEU  72          HD12      LEU  72  -3.957  22.076  -3.583
  539   3HD1  LEU  72          HD13      LEU  72  -3.026  22.084  -5.098
  540   1HD2  LEU  72          HD21      LEU  72  -1.931  23.043  -2.294
  541   2HD2  LEU  72          HD22      LEU  72  -0.354  22.286  -2.533
  542   3HD2  LEU  72          HD23      LEU  72  -1.133  23.142  -3.881
  543    H    ASN  73           H        ASN  73   0.242  20.136  -0.419
  544    HA   ASN  73           HA       ASN  73   2.415  20.634  -2.202
  545   1HB   ASN  73          HB2       ASN  73   2.059  20.660   0.815
  546   2HB   ASN  73          HB3       ASN  73   3.678  20.722   0.152
  547   1HD2  ASN  73          HD21      ASN  73   0.544  22.466   0.115
  548   2HD2  ASN  73          HD22      ASN  73   1.227  23.969  -0.484
  549    H    ASN  74           H        ASN  74   1.456  17.630  -0.708
  550    HA   ASN  74           HA       ASN  74   4.226  16.543  -0.760
  551   1HB   ASN  74          HB2       ASN  74   1.609  15.349   0.240
  552   2HB   ASN  74          HB3       ASN  74   3.174  14.557   0.319
  553   1HD2  ASN  74          HD21      ASN  74   1.435  15.093   2.548
  554   2HD2  ASN  74          HD22      ASN  74   2.131  16.316   3.571
  555    H    ALA  75           H        ALA  75   1.364  16.727  -2.731
  556    HA   ALA  75           HA       ALA  75   1.336  14.056  -3.585
  557   1HB   ALA  75          HB1       ALA  75   0.168  16.518  -4.942
  558   2HB   ALA  75          HB2       ALA  75  -0.283  14.830  -5.273
  559   3HB   ALA  75          HB3       ALA  75  -0.630  15.538  -3.692
  560    H    ASP  76           H        ASP  76   1.708  13.292  -5.917
  561    HA   ASP  76           HA       ASP  76   4.223  14.413  -7.047
  562   1HB   ASP  76          HB2       ASP  76   3.794  11.935  -7.085
  563   2HB   ASP  76          HB3       ASP  76   2.382  12.225  -8.119
  564    H    LEU  77           H        LEU  77   0.725  14.358  -7.427
  565    HA   LEU  77           HA       LEU  77   0.744  16.394  -9.555
  566   1HB   LEU  77          HB2       LEU  77   0.821  14.317 -10.750
  567   2HB   LEU  77          HB3       LEU  77  -0.318  13.557  -9.630
  568    HG   LEU  77           HG       LEU  77  -2.142  15.023 -10.495
  569   1HD1  LEU  77          HD11      LEU  77  -0.163  15.752 -12.697
  570   2HD1  LEU  77          HD12      LEU  77  -1.852  16.243 -12.577
  571   3HD1  LEU  77          HD13      LEU  77  -0.678  16.883 -11.435
  572   1HD2  LEU  77          HD21      LEU  77  -1.723  12.726 -11.308
  573   2HD2  LEU  77          HD22      LEU  77  -2.390  13.767 -12.574
  574   3HD2  LEU  77          HD23      LEU  77  -0.648  13.383 -12.552
  575    H    VAL  78           H        VAL  78  -1.057  17.587  -9.592
  576    HA   VAL  78           HA       VAL  78  -3.366  16.930  -7.844
  577    HB   VAL  78           HB       VAL  78  -2.074  19.618  -8.428
  578   1HG1  VAL  78          HG11      VAL  78  -4.531  19.890  -8.423
  579   2HG1  VAL  78          HG12      VAL  78  -4.622  19.078  -6.844
  580   3HG1  VAL  78          HG13      VAL  78  -3.804  20.651  -7.012
  581   1HG2  VAL  78          HG21      VAL  78  -1.568  19.841  -6.148
  582   2HG2  VAL  78          HG22      VAL  78  -2.507  18.387  -5.695
  583   3HG2  VAL  78          HG23      VAL  78  -0.993  18.249  -6.601
  584    H    VAL  79           H        VAL  79  -5.360  17.119  -9.047
  585    HA   VAL  79           HA       VAL  79  -5.050  17.988 -11.901
  586    HB   VAL  79           HB       VAL  79  -6.779  15.681 -10.959
  587   1HG1  VAL  79          HG11      VAL  79  -7.667  16.892 -12.903
  588   2HG1  VAL  79          HG12      VAL  79  -6.094  16.753 -13.724
  589   3HG1  VAL  79          HG13      VAL  79  -7.071  15.299 -13.385
  590   1HG2  VAL  79          HG21      VAL  79  -4.134  15.642 -12.465
  591   2HG2  VAL  79          HG22      VAL  79  -4.455  14.953 -10.853
  592   3HG2  VAL  79          HG23      VAL  79  -5.219  14.250 -12.278
  593    H    THR  80           H        THR  80  -6.085  19.860 -12.100
  594    HA   THR  80           HA       THR  80  -8.258  20.500 -10.216
  595    HB   THR  80           HB       THR  80  -7.977  22.784 -11.045
  596    HG1  THR  80           HG1      THR  80  -7.256  22.174 -13.138
  597   1HG2  THR  80          HG21      THR  80  -6.544  22.005  -9.168
  598   2HG2  THR  80          HG22      THR  80  -5.307  21.470 -10.324
  599   3HG2  THR  80          HG23      THR  80  -5.698  23.187 -10.190
  600    H    LEU  81           H        LEU  81  -9.980  19.361 -10.896
  601    HA   LEU  81           HA       LEU  81 -10.434  18.600 -13.602
  602   1HB   LEU  81          HB2       LEU  81 -12.231  18.574 -11.160
  603   2HB   LEU  81          HB3       LEU  81 -12.679  17.826 -12.690
  604    HG   LEU  81           HG       LEU  81 -10.195  17.057 -11.092
  605   1HD1  LEU  81          HD11      LEU  81 -11.472  15.139 -10.315
  606   2HD1  LEU  81          HD12      LEU  81 -12.254  16.639  -9.806
  607   3HD1  LEU  81          HD13      LEU  81 -12.918  15.711 -11.174
  608   1HD2  LEU  81          HD21      LEU  81 -10.013  16.404 -13.454
  609   2HD2  LEU  81          HD22      LEU  81 -10.320  14.970 -12.475
  610   3HD2  LEU  81          HD23      LEU  81 -11.634  15.696 -13.419
  611    H    CYS  82           H        CYS  82 -11.034  21.698 -12.239
  612    HA   CYS  82           HA       CYS  82 -12.358  22.357 -14.711
  613   1HB   CYS  82          HB2       CYS  82 -14.293  21.822 -13.266
  614   2HB   CYS  82          HB3       CYS  82 -13.747  23.035 -12.083
  615    HG   CYS  82           HG       CYS  82 -15.803  23.892 -13.560
  616    H    GLY  83           H        GLY  83 -11.510  24.280 -15.387
  617   1HA   GLY  83          HA1       GLY  83  -9.139  25.144 -14.336
  618   2HA   GLY  83          HA2       GLY  83 -10.120  26.080 -15.476
  619    H    ASP  84           H        ASP  84 -12.372  26.547 -13.630
  620    HA   ASP  84           HA       ASP  84 -11.431  28.889 -12.304
  621   1HB   ASP  84          HB2       ASP  84 -13.767  28.541 -13.055
  622   2HB   ASP  84          HB3       ASP  84 -13.981  27.311 -11.806
  623    H    ALA  85           H        ALA  85 -11.642  25.524 -11.241
  624    HA   ALA  85           HA       ALA  85 -11.442  26.061  -8.403
  625   1HB   ALA  85          HB1       ALA  85 -10.593  23.511  -9.839
  626   2HB   ALA  85          HB2       ALA  85 -11.169  23.709  -8.182
  627   3HB   ALA  85          HB3       ALA  85 -12.298  23.896  -9.536
  628    H    ALA  86           H        ALA  86  -9.154  25.798 -11.099
  629    HA   ALA  86           HA       ALA  86  -6.882  24.994  -9.608
  630   1HB   ALA  86          HB1       ALA  86  -5.625  25.553 -11.595
  631   2HB   ALA  86          HB2       ALA  86  -7.186  24.884 -12.121
  632   3HB   ALA  86          HB3       ALA  86  -6.903  26.639 -12.170
  633    H    ASP  87           H        ASP  87  -8.435  28.097  -9.804
  634    HA   ASP  87           HA       ASP  87  -6.334  29.856  -9.101
  635   1HB   ASP  87          HB2       ASP  87  -8.642  30.542  -9.749
  636   2HB   ASP  87          HB3       ASP  87  -9.252  29.838  -8.239
  637    H    LYS  88           H        LYS  88  -8.194  27.523  -7.197
  638    HA   LYS  88           HA       LYS  88  -7.635  28.744  -4.633
  639   1HB   LYS  88          HB2       LYS  88  -9.661  27.391  -5.131
  640   2HB   LYS  88          HB3       LYS  88  -8.641  25.964  -5.381
  641   1HG   LYS  88          HG2       LYS  88  -9.709  25.838  -3.259
  642   2HG   LYS  88          HG3       LYS  88  -7.973  26.002  -3.028
  643   1HD   LYS  88          HD2       LYS  88  -8.233  28.364  -2.402
  644   2HD   LYS  88          HD3       LYS  88  -9.970  28.305  -2.801
  645   1HE   LYS  88          HE2       LYS  88 -10.309  26.558  -1.094
  646   2HE   LYS  88          HE3       LYS  88  -8.586  26.576  -0.704
  647   1HZ   LYS  88          HZ1       LYS  88 -10.440  28.864  -0.314
  648   2HZ   LYS  88          HZ2       LYS  88  -9.860  27.907   0.869
  649   3HZ   LYS  88          HZ3       LYS  88  -8.846  28.878   0.045
  650    H    CYS  89           H        CYS  89  -5.996  26.273  -6.552
  651    HA   CYS  89           HA       CYS  89  -4.704  24.754  -4.704
  652   1HB   CYS  89          HB2       CYS  89  -3.565  25.832  -7.300
  653   2HB   CYS  89          HB3       CYS  89  -2.927  24.439  -6.404
  654    HG   CYS  89           HG       CYS  89  -5.133  23.035  -6.423
  655    HA   PRO  90           HA       PRO  90  -2.850  28.197  -2.621
  656   1HB   PRO  90          HB2       PRO  90  -1.739  26.885  -0.422
  657   2HB   PRO  90          HB3       PRO  90  -3.400  27.541  -0.611
  658   1HG   PRO  90          HG2       PRO  90  -2.471  24.707  -0.886
  659   2HG   PRO  90          HG3       PRO  90  -4.046  25.321  -0.284
  660   1HD   PRO  90          HD2       PRO  90  -3.699  24.287  -2.803
  661   2HD   PRO  90          HD3       PRO  90  -4.915  25.515  -2.396
  662    H    MET  91           H        MET  91  -0.709  25.337  -2.994
  663    HA   MET  91           HA       MET  91   1.088  26.843  -4.601
  664   1HB   MET  91          HB2       MET  91   1.863  27.641  -2.300
  665   2HB   MET  91          HB3       MET  91   2.229  25.963  -1.894
  666   1HG   MET  91          HG2       MET  91   3.810  25.895  -3.838
  667   2HG   MET  91          HG3       MET  91   3.425  27.587  -4.171
  668   1HE   MET  91          HE1       MET  91   5.978  28.229  -4.193
  669   2HE   MET  91          HE2       MET  91   7.122  27.761  -2.916
  670   3HE   MET  91          HE3       MET  91   6.362  26.514  -3.928
  671    H    THR  92           H        THR  92   1.637  25.233  -6.117
  672    HA   THR  92           HA       THR  92   2.062  22.463  -5.099
  673    HB   THR  92           HB       THR  92   1.631  21.787  -7.451
  674    HG1  THR  92           HG1      THR  92   2.076  23.812  -8.429
  675   1HG2  THR  92          HG21      THR  92  -0.646  23.399  -6.267
  676   2HG2  THR  92          HG22      THR  92  -0.743  21.996  -7.354
  677   3HG2  THR  92          HG23      THR  92  -0.135  21.786  -5.713
  678    HA   PRO  93           HA       PRO  93   6.268  24.220  -5.930
  679   1HB   PRO  93          HB2       PRO  93   7.667  22.675  -4.120
  680   2HB   PRO  93          HB3       PRO  93   6.772  24.157  -3.670
  681   1HG   PRO  93          HG2       PRO  93   5.828  21.279  -3.488
  682   2HG   PRO  93          HG3       PRO  93   5.767  22.547  -2.221
  683   1HD   PRO  93          HD2       PRO  93   3.614  21.998  -3.763
  684   2HD   PRO  93          HD3       PRO  93   4.007  23.683  -3.318
  685    HA   PRO  94           HA       PRO  94   7.663  21.494  -8.943
  686   1HB   PRO  94          HB2       PRO  94  10.334  21.136  -7.564
  687   2HB   PRO  94          HB3       PRO  94  10.002  21.470  -9.295
  688   1HG   PRO  94          HG2       PRO  94  10.700  23.498  -7.653
  689   2HG   PRO  94          HG3       PRO  94   9.343  23.721  -8.806
  690   1HD   PRO  94          HD2       PRO  94   9.225  23.125  -5.850
  691   2HD   PRO  94          HD3       PRO  94   8.231  24.247  -6.824
  692    H    HIS  95           H        HIS  95   7.964  19.945  -5.771
  693    HA   HIS  95           HA       HIS  95   8.429  17.251  -6.680
  694   1HB   HIS  95          HB2       HIS  95   8.534  17.966  -4.303
  695   2HB   HIS  95          HB3       HIS  95   6.805  18.308  -4.317
  696    HD1  HIS  95           HD1      HIS  95   5.178  15.973  -4.681
  697    HD2  HIS  95           HD2      HIS  95   9.276  15.520  -3.756
  698    HE1  HIS  95           HE1      HIS  95   5.474  13.594  -3.869
  699    H    VAL  96           H        VAL  96   5.625  19.363  -6.475
  700    HA   VAL  96           HA       VAL  96   3.654  17.364  -7.300
  701    HB   VAL  96           HB       VAL  96   3.213  20.327  -6.725
  702   1HG1  VAL  96          HG11      VAL  96   1.019  19.484  -5.890
  703   2HG1  VAL  96          HG12      VAL  96   1.273  19.133  -7.594
  704   3HG1  VAL  96          HG13      VAL  96   1.490  17.847  -6.381
  705   1HG2  VAL  96          HG21      VAL  96   2.750  19.911  -4.395
  706   2HG2  VAL  96          HG22      VAL  96   3.336  18.251  -4.528
  707   3HG2  VAL  96          HG23      VAL  96   4.444  19.622  -4.742
  708    H    LYS  97           H        LYS  97   2.235  18.010  -9.144
  709    HA   LYS  97           HA       LYS  97   3.165  20.091 -10.972
  710   1HB   LYS  97          HB2       LYS  97   3.403  18.752 -12.883
  711   2HB   LYS  97          HB3       LYS  97   4.255  17.852 -11.637
  712   1HG   LYS  97          HG2       LYS  97   1.933  16.569 -11.400
  713   2HG   LYS  97          HG3       LYS  97   1.639  17.240 -13.014
  714   1HD   LYS  97          HD2       LYS  97   3.927  16.215 -13.664
  715   2HD   LYS  97          HD3       LYS  97   3.893  15.426 -12.085
  716   1HE   LYS  97          HE2       LYS  97   3.107  13.796 -13.591
  717   2HE   LYS  97          HE3       LYS  97   1.677  14.357 -12.740
  718   1HZ   LYS  97          HZ1       LYS  97   1.084  15.670 -14.723
  719   2HZ   LYS  97          HZ2       LYS  97   2.518  15.317 -15.431
  720   3HZ   LYS  97          HZ3       LYS  97   1.421  14.151 -15.235
  721    H    ARG  98           H        ARG  98   1.294  20.342 -12.732
  722    HA   ARG  98           HA       ARG  98  -1.266  19.432 -11.590
  723   1HB   ARG  98          HB2       ARG  98  -0.428  22.300 -11.884
  724   2HB   ARG  98          HB3       ARG  98  -2.063  21.871 -12.408
  725   1HG   ARG  98          HG2       ARG  98  -2.543  20.809 -10.272
  726   2HG   ARG  98          HG3       ARG  98  -0.936  21.242  -9.658
  727   1HD   ARG  98          HD2       ARG  98  -3.030  23.257 -10.588
  728   2HD   ARG  98          HD3       ARG  98  -2.883  22.691  -8.916
  729    HE   ARG  98           HE       ARG  98  -0.398  23.515  -9.236
  730   1HH1  ARG  98          HH21      ARG  98  -3.420  25.216 -10.058
  731   2HH1  ARG  98          HH22      ARG  98  -2.761  26.777  -9.764
  732   1HH2  ARG  98          HH11      ARG  98   0.405  25.482  -8.752
  733   2HH2  ARG  98          HH12      ARG  98  -0.485  26.954  -9.014
  734    H    GLU  99           H        GLU  99  -2.888  19.119 -12.931
  735    HA   GLU  99           HA       GLU  99  -2.583  19.564 -15.848
  736   1HB   GLU  99          HB2       GLU  99  -3.059  17.009 -14.362
  737   2HB   GLU  99          HB3       GLU  99  -4.284  17.370 -15.562
  738   1HG   GLU  99          HG2       GLU  99  -2.547  15.958 -16.492
  739   2HG   GLU  99          HG3       GLU  99  -2.674  17.496 -17.338
  740    H    HIS 100           H        HIS 100  -4.752  20.016 -16.791
  741    HA   HIS 100           HA       HIS 100  -6.698  21.028 -14.784
  742   1HB   HIS 100          HB2       HIS 100  -5.753  22.647 -17.171
  743   2HB   HIS 100          HB3       HIS 100  -6.743  23.183 -15.825
  744    HD1  HIS 100           HD1      HIS 100  -5.089  22.928 -13.329
  745    HD2  HIS 100           HD2      HIS 100  -3.413  23.661 -17.121
  746    HE1  HIS 100           HE1      HIS 100  -2.843  24.092 -12.922
  747    H    TRP 101           H        TRP 101  -8.823  20.922 -15.455
  748    HA   TRP 101           HA       TRP 101  -9.476  20.378 -18.299
  749   1HB   TRP 101          HB2       TRP 101 -10.613  18.824 -15.976
  750   2HB   TRP 101          HB3       TRP 101 -10.878  18.569 -17.704
  751    HD1  TRP 101           HD1      TRP 101  -8.674  17.583 -14.889
  752    HE1  TRP 101           HE1      TRP 101  -6.738  16.104 -15.639
  753    HE3  TRP 101           HE3      TRP 101  -9.051  18.277 -19.945
  754    HZ2  TRP 101           HZ2      TRP 101  -5.559  15.221 -18.128
  755    HZ3  TRP 101           HZ3      TRP 101  -7.508  17.094 -21.484
  756    HH2  TRP 101           HH2      TRP 101  -5.787  15.538 -20.586
  757    H    GLY 102           H        GLY 102 -12.294  20.199 -17.898
  758   1HA   GLY 102          HA1       GLY 102 -13.012  22.853 -16.732
  759   2HA   GLY 102          HA2       GLY 102 -13.221  22.541 -18.453
  760    H    PHE 103           H        PHE 103 -13.817  20.323 -15.656
  761    HA   PHE 103           HA       PHE 103 -16.324  19.512 -16.855
  762   1HB   PHE 103          HB2       PHE 103 -14.871  18.705 -14.318
  763   2HB   PHE 103          HB3       PHE 103 -16.450  18.078 -14.766
  764    HD1  PHE 103           HD1      PHE 103 -16.757  16.485 -16.547
  765    HD2  PHE 103           HD2      PHE 103 -12.866  18.178 -15.821
  766    HE1  PHE 103           HE1      PHE 103 -15.723  14.794 -18.011
  767    HE2  PHE 103           HE2      PHE 103 -11.837  16.569 -17.344
  768    HZ   PHE 103           HZ       PHE 103 -13.280  14.815 -18.440
  769    H    ASP 104           H        ASP 104 -18.105  20.673 -16.709
  770    HA   ASP 104           HA       ASP 104 -18.725  22.499 -14.544
  771   1HB   ASP 104          HB2       ASP 104 -19.609  22.736 -16.877
  772   2HB   ASP 104          HB3       ASP 104 -20.529  21.239 -16.643
  773    H    ASP 105           H        ASP 105 -20.561  22.168 -13.072
  774    HA   ASP 105           HA       ASP 105 -20.102  19.683 -11.692
  775   1HB   ASP 105          HB2       ASP 105 -20.376  22.000 -10.684
  776   2HB   ASP 105          HB3       ASP 105 -22.114  21.808 -10.911
  777    HA   PRO 106           HA       PRO 106 -23.607  17.774 -13.750
  778   1HB   PRO 106          HB2       PRO 106 -23.502  15.252 -12.639
  779   2HB   PRO 106          HB3       PRO 106 -22.350  15.818 -13.879
  780   1HG   PRO 106          HG2       PRO 106 -22.001  15.765 -10.870
  781   2HG   PRO 106          HG3       PRO 106 -20.853  15.200 -12.121
  782   1HD   PRO 106          HD2       PRO 106 -20.637  17.661 -10.958
  783   2HD   PRO 106          HD3       PRO 106 -20.246  17.418 -12.687
  784    H    ALA 107           H        ALA 107 -23.280  17.836 -10.192
  785    HA   ALA 107           HA       ALA 107 -25.891  16.742  -9.708
  786   1HB   ALA 107          HB1       ALA 107 -24.085  18.380  -7.888
  787   2HB   ALA 107          HB2       ALA 107 -25.498  17.437  -7.381
  788   3HB   ALA 107          HB3       ALA 107 -24.074  16.611  -8.048
  789    H    ARG 108           H        ARG 108 -24.812  19.872 -10.665
  790    HA   ARG 108           HA       ARG 108 -27.306  21.193  -9.747
  791   1HB   ARG 108          HB2       ARG 108 -24.638  22.341 -10.691
  792   2HB   ARG 108          HB3       ARG 108 -26.091  23.294 -10.407
  793   1HG   ARG 108          HG2       ARG 108 -25.034  23.563  -8.395
  794   2HG   ARG 108          HG3       ARG 108 -26.133  22.227  -8.041
  795   1HD   ARG 108          HD2       ARG 108 -24.181  20.649  -8.437
  796   2HD   ARG 108          HD3       ARG 108 -23.144  22.080  -8.595
  797    HE   ARG 108           HE       ARG 108 -24.457  22.415  -6.188
  798   1HH1  ARG 108          HH21      ARG 108 -22.231  19.959  -7.541
  799   2HH1  ARG 108          HH22      ARG 108 -21.704  19.417  -5.994
  800   1HH2  ARG 108          HH11      ARG 108 -23.710  21.694  -4.148
  801   2HH2  ARG 108          HH12      ARG 108 -22.556  20.424  -4.026
  802    H    ALA 109           H        ALA 109 -26.337  19.475 -12.454
  803    HA   ALA 109           HA       ALA 109 -27.433  21.081 -14.558
  804   1HB   ALA 109          HB1       ALA 109 -27.610  18.924 -15.731
  805   2HB   ALA 109          HB2       ALA 109 -26.033  19.017 -14.904
  806   3HB   ALA 109          HB3       ALA 109 -27.346  18.041 -14.213
  807    H    GLN 110           H        GLN 110 -29.684  21.277 -15.035
  808    HA   GLN 110           HA       GLN 110 -31.611  19.925 -13.228
  809   1HB   GLN 110          HB2       GLN 110 -32.401  22.017 -12.228
  810   2HB   GLN 110          HB3       GLN 110 -30.719  21.694 -11.865
  811   1HG   GLN 110          HG2       GLN 110 -30.090  23.323 -13.745
  812   2HG   GLN 110          HG3       GLN 110 -31.802  23.749 -13.839
  813   1HE2  GLN 110          HE22      GLN 110 -29.021  23.511 -11.590
  814   2HE2  GLN 110          HE21      GLN 110 -29.512  24.831 -10.536
  815    H    GLY 111           H        GLY 111 -31.200  20.147 -16.191
  816   1HA   GLY 111          HA1       GLY 111 -33.076  22.025 -17.317
  817   2HA   GLY 111          HA2       GLY 111 -32.370  20.631 -18.147
  818    H    THR 112           H        THR 112 -33.235  18.486 -16.877
  819    HA   THR 112           HA       THR 112 -35.872  18.440 -15.857
  820    HB   THR 112           HB       THR 112 -36.588  18.628 -18.170
  821    HG1  THR 112           HG1      THR 112 -37.861  17.253 -17.128
  822   1HG2  THR 112          HG21      THR 112 -36.022  16.915 -19.874
  823   2HG2  THR 112          HG22      THR 112 -34.656  17.945 -19.440
  824   3HG2  THR 112          HG23      THR 112 -34.758  16.289 -18.798
  825    H    GLU 113           H        GLU 113 -36.276  16.007 -15.211
  826    HA   GLU 113           HA       GLU 113 -33.954  15.249 -13.799
  827   1HB   GLU 113          HB2       GLU 113 -36.181  14.684 -13.026
  828   2HB   GLU 113          HB3       GLU 113 -36.472  13.664 -14.446
  829   1HG   GLU 113          HG2       GLU 113 -34.737  12.102 -13.762
  830   2HG   GLU 113          HG3       GLU 113 -34.232  13.160 -12.438
  831    H    GLU 114           H        GLU 114 -35.257  14.019 -16.863
  832    HA   GLU 114           HA       GLU 114 -33.303  11.931 -17.094
  833   1HB   GLU 114          HB2       GLU 114 -34.065  11.661 -19.389
  834   2HB   GLU 114          HB3       GLU 114 -35.419  11.762 -18.264
  835   1HG   GLU 114          HG2       GLU 114 -35.796  14.128 -18.923
  836   2HG   GLU 114          HG3       GLU 114 -34.438  14.032 -20.052
  837    H    GLU 115           H        GLU 115 -33.267  15.355 -17.953
  838    HA   GLU 115           HA       GLU 115 -30.887  15.117 -19.573
  839   1HB   GLU 115          HB2       GLU 115 -32.483  16.840 -20.077
  840   2HB   GLU 115          HB3       GLU 115 -32.329  17.543 -18.459
  841   1HG   GLU 115          HG2       GLU 115 -30.162  18.334 -18.849
  842   2HG   GLU 115          HG3       GLU 115 -29.891  17.259 -20.229
  843    H    LYS 116           H        LYS 116 -31.703  15.965 -16.196
  844    HA   LYS 116           HA       LYS 116 -29.142  16.682 -15.285
  845   1HB   LYS 116          HB2       LYS 116 -31.204  17.128 -14.096
  846   2HB   LYS 116          HB3       LYS 116 -31.556  15.403 -13.922
  847   1HG   LYS 116          HG2       LYS 116 -29.692  15.066 -12.467
  848   2HG   LYS 116          HG3       LYS 116 -29.073  16.700 -12.789
  849   1HD   LYS 116          HD2       LYS 116 -31.511  17.378 -11.813
  850   2HD   LYS 116          HD3       LYS 116 -31.349  15.785 -11.029
  851   1HE   LYS 116          HE2       LYS 116 -29.016  16.554 -10.294
  852   2HE   LYS 116          HE3       LYS 116 -29.414  18.128 -10.972
  853   1HZ   LYS 116          HZ1       LYS 116 -31.223  18.312  -9.367
  854   2HZ   LYS 116          HZ2       LYS 116 -30.852  16.858  -8.713
  855   3HZ   LYS 116          HZ3       LYS 116 -29.796  18.101  -8.607
  856    H    TRP 117           H        TRP 117 -30.815  13.487 -15.300
  857    HA   TRP 117           HA       TRP 117 -28.555  12.011 -14.367
  858   1HB   TRP 117          HB2       TRP 117 -30.851  11.099 -14.377
  859   2HB   TRP 117          HB3       TRP 117 -30.830  11.045 -16.142
  860    HD1  TRP 117           HD1      TRP 117 -29.393   9.135 -17.290
  861    HE1  TRP 117           HE1      TRP 117 -28.279   6.968 -16.450
  862    HE3  TRP 117           HE3      TRP 117 -29.598  10.003 -12.251
  863    HZ2  TRP 117           HZ2      TRP 117 -27.294   5.932 -13.970
  864    HZ3  TRP 117           HZ3      TRP 117 -28.409   8.502 -10.685
  865    HH2  TRP 117           HH2      TRP 117 -27.223   6.477 -11.531
  866    H    ALA 118           H        ALA 118 -29.610  12.826 -17.747
  867    HA   ALA 118           HA       ALA 118 -27.553  11.406 -19.039
  868   1HB   ALA 118          HB1       ALA 118 -28.853  14.026 -19.894
  869   2HB   ALA 118          HB2       ALA 118 -27.972  12.905 -20.942
  870   3HB   ALA 118          HB3       ALA 118 -29.502  12.400 -20.193
  871    H    PHE 119           H        PHE 119 -27.484  14.635 -17.499
  872    HA   PHE 119           HA       PHE 119 -24.863  15.330 -18.355
  873   1HB   PHE 119          HB2       PHE 119 -26.829  16.683 -17.126
  874   2HB   PHE 119          HB3       PHE 119 -25.911  16.264 -15.694
  875    HD1  PHE 119           HD1      PHE 119 -23.273  16.811 -15.861
  876    HD2  PHE 119           HD2      PHE 119 -26.347  18.634 -18.278
  877    HE1  PHE 119           HE1      PHE 119 -21.810  18.780 -16.237
  878    HE2  PHE 119           HE2      PHE 119 -24.887  20.598 -18.648
  879    HZ   PHE 119           HZ       PHE 119 -22.611  20.669 -17.648
  880    H    PHE 120           H        PHE 120 -26.079  13.582 -15.430
  881    HA   PHE 120           HA       PHE 120 -23.602  13.165 -14.122
  882   1HB   PHE 120          HB2       PHE 120 -25.818  11.103 -14.304
  883   2HB   PHE 120          HB3       PHE 120 -24.570  11.230 -13.107
  884    HD1  PHE 120           HD1      PHE 120 -27.061  10.698 -12.164
  885    HD2  PHE 120           HD2      PHE 120 -25.548  14.597 -13.204
  886    HE1  PHE 120           HE1      PHE 120 -28.606  11.735 -10.524
  887    HE2  PHE 120           HE2      PHE 120 -27.059  15.613 -11.552
  888    HZ   PHE 120           HZ       PHE 120 -28.580  14.197 -10.186
  889    H    GLN 121           H        GLN 121 -25.261  11.233 -16.676
  890    HA   GLN 121           HA       GLN 121 -23.294   9.230 -16.974
  891   1HB   GLN 121          HB2       GLN 121 -25.321  10.349 -18.952
  892   2HB   GLN 121          HB3       GLN 121 -24.306   8.962 -19.297
  893   1HG   GLN 121          HG2       GLN 121 -26.258   9.133 -16.957
  894   2HG   GLN 121          HG3       GLN 121 -26.598   8.356 -18.501
  895   1HE2  GLN 121          HE22      GLN 121 -25.861   7.547 -15.417
  896   2HE2  GLN 121          HE21      GLN 121 -24.892   6.120 -15.693
  897    H    ARG 122           H        ARG 122 -23.640  12.308 -18.790
  898    HA   ARG 122           HA       ARG 122 -21.377  11.888 -20.467
  899   1HB   ARG 122          HB2       ARG 122 -22.929  14.342 -19.604
  900   2HB   ARG 122          HB3       ARG 122 -21.331  14.575 -20.296
  901   1HG   ARG 122          HG2       ARG 122 -22.852  14.770 -22.089
  902   2HG   ARG 122          HG3       ARG 122 -21.977  13.247 -22.298
  903   1HD   ARG 122          HD2       ARG 122 -23.952  12.059 -21.266
  904   2HD   ARG 122          HD3       ARG 122 -24.804  13.622 -21.244
  905    HE   ARG 122           HE       ARG 122 -23.993  13.330 -23.860
  906   1HH1  ARG 122          HH21      ARG 122 -25.941  11.390 -21.631
  907   2HH1  ARG 122          HH22      ARG 122 -26.940  10.696 -22.861
  908   1HH2  ARG 122          HH11      ARG 122 -25.318  12.416 -25.517
  909   2HH2  ARG 122          HH12      ARG 122 -26.574  11.307 -25.123
  910    H    VAL 123           H        VAL 123 -21.594  13.581 -17.280
  911    HA   VAL 123           HA       VAL 123 -18.812  14.197 -17.326
  912    HB   VAL 123           HB       VAL 123 -20.840  14.147 -15.058
  913   1HG1  VAL 123          HG11      VAL 123 -17.948  15.127 -15.013
  914   2HG1  VAL 123          HG12      VAL 123 -19.169  15.554 -13.801
  915   3HG1  VAL 123          HG13      VAL 123 -18.667  13.870 -13.986
  916   1HG2  VAL 123          HG21      VAL 123 -21.189  15.862 -16.842
  917   2HG2  VAL 123          HG22      VAL 123 -20.672  16.631 -15.334
  918   3HG2  VAL 123          HG23      VAL 123 -19.517  16.410 -16.653
  919    H    ARG 124           H        ARG 124 -20.491  11.301 -15.749
  920    HA   ARG 124           HA       ARG 124 -17.990  10.412 -14.751
  921   1HB   ARG 124          HB2       ARG 124 -18.914   8.194 -14.462
  922   2HB   ARG 124          HB3       ARG 124 -20.103   9.394 -13.941
  923   1HG   ARG 124          HG2       ARG 124 -21.353   9.028 -16.042
  924   2HG   ARG 124          HG3       ARG 124 -20.127   7.874 -16.588
  925   1HD   ARG 124          HD2       ARG 124 -20.652   6.481 -14.548
  926   2HD   ARG 124          HD3       ARG 124 -22.060   7.530 -14.283
  927    HE   ARG 124           HE       ARG 124 -22.290   6.801 -16.927
  928   1HH1  ARG 124          HH21      ARG 124 -22.114   4.900 -13.917
  929   2HH1  ARG 124          HH22      ARG 124 -22.683   3.445 -14.699
  930   1HH2  ARG 124          HH11      ARG 124 -23.415   5.022 -17.750
  931   2HH2  ARG 124          HH12      ARG 124 -23.454   3.517 -16.893
  932    H    ASP 125           H        ASP 125 -19.533   9.813 -17.915
  933    HA   ASP 125           HA       ASP 125 -17.650   7.904 -18.816
  934   1HB   ASP 125          HB2       ASP 125 -19.770   8.271 -19.969
  935   2HB   ASP 125          HB3       ASP 125 -19.290   9.917 -20.402
  936    H    GLU 126           H        GLU 126 -17.670  11.496 -19.122
  937    HA   GLU 126           HA       GLU 126 -15.224  11.455 -20.582
  938   1HB   GLU 126          HB2       GLU 126 -16.931  13.675 -19.465
  939   2HB   GLU 126          HB3       GLU 126 -15.413  13.993 -20.307
  940   1HG   GLU 126          HG2       GLU 126 -17.759  12.462 -21.505
  941   2HG   GLU 126          HG3       GLU 126 -17.460  14.181 -21.723
  942    H    ILE 127           H        ILE 127 -15.938  11.765 -17.093
  943    HA   ILE 127           HA       ILE 127 -13.280  12.686 -16.442
  944    HB   ILE 127           HB       ILE 127 -15.619  12.306 -14.984
  945   1HG1  ILE 127          HG12      ILE 127 -14.218  12.826 -12.925
  946   2HG1  ILE 127          HG13      ILE 127 -12.807  12.843 -13.996
  947   1HG2  ILE 127          HG21      ILE 127 -13.718  10.257 -13.892
  948   2HG2  ILE 127          HG22      ILE 127 -15.229  10.837 -13.156
  949   3HG2  ILE 127          HG23      ILE 127 -15.294   9.971 -14.687
  950   1HD1  ILE 127          HD11      ILE 127 -13.904  15.090 -13.540
  951   2HD1  ILE 127          HD12      ILE 127 -13.790  14.670 -15.261
  952   3HD1  ILE 127          HD13      ILE 127 -15.343  14.502 -14.401
  953    H    GLY 128           H        GLY 128 -14.812   9.463 -16.869
  954   1HA   GLY 128          HA1       GLY 128 -12.540   7.881 -16.242
  955   2HA   GLY 128          HA2       GLY 128 -13.920   7.405 -17.257
  956    H    ASN 129           H        ASN 129 -13.788   9.094 -19.390
  957    HA   ASN 129           HA       ASN 129 -11.758   8.151 -21.076
  958   1HB   ASN 129          HB2       ASN 129 -13.950   9.202 -21.723
  959   2HB   ASN 129          HB3       ASN 129 -13.278  10.767 -21.261
  960   1HD2  ASN 129          HD22      ASN 129 -13.852  11.413 -23.417
  961   2HD2  ASN 129          HD21      ASN 129 -12.882  10.908 -24.801
  962    H    ARG 130           H        ARG 130 -11.854  11.168 -19.140
  963    HA   ARG 130           HA       ARG 130  -9.335  12.142 -20.039
  964   1HB   ARG 130          HB2       ARG 130 -11.307  13.033 -18.162
  965   2HB   ARG 130          HB3       ARG 130  -9.853  12.804 -17.225
  966   1HG   ARG 130          HG2       ARG 130  -9.741  15.009 -17.909
  967   2HG   ARG 130          HG3       ARG 130  -8.627  14.197 -19.003
  968   1HD   ARG 130          HD2       ARG 130 -11.505  15.015 -19.633
  969   2HD   ARG 130          HD3       ARG 130 -10.085  15.894 -20.126
  970    HE   ARG 130           HE       ARG 130  -9.433  14.067 -21.594
  971   1HH1  ARG 130          HH21      ARG 130 -12.773  13.656 -20.389
  972   2HH1  ARG 130          HH22      ARG 130 -13.402  13.203 -21.935
  973   1HH2  ARG 130          HH11      ARG 130 -10.143  13.061 -23.378
  974   2HH2  ARG 130          HH12      ARG 130 -11.825  12.606 -23.607
  975    H    LEU 131           H        LEU 131 -10.134  10.038 -17.218
  976    HA   LEU 131           HA       LEU 131  -7.387   9.872 -16.444
  977   1HB   LEU 131          HB2       LEU 131  -9.867   8.419 -15.654
  978   2HB   LEU 131          HB3       LEU 131  -8.348   7.569 -15.393
  979    HG   LEU 131           HG       LEU 131  -9.031   8.797 -13.449
  980   1HD1  LEU 131          HD11      LEU 131  -6.619   8.303 -13.937
  981   2HD1  LEU 131          HD12      LEU 131  -6.438   9.950 -14.577
  982   3HD1  LEU 131          HD13      LEU 131  -6.847   9.703 -12.890
  983   1HD2  LEU 131          HD21      LEU 131 -10.107  10.756 -14.503
  984   2HD2  LEU 131          HD22      LEU 131  -8.947  11.201 -13.250
  985   3HD2  LEU 131          HD23      LEU 131  -8.507  11.383 -14.959
  986    H    LYS 132           H        LYS 132  -9.302   7.933 -18.735
  987    HA   LYS 132           HA       LYS 132  -7.286   6.035 -19.318
  988   1HB   LYS 132          HB2       LYS 132  -9.291   5.426 -20.158
  989   2HB   LYS 132          HB3       LYS 132  -9.768   7.023 -20.644
  990   1HG   LYS 132          HG2       LYS 132  -7.574   5.578 -22.183
  991   2HG   LYS 132          HG3       LYS 132  -9.272   5.147 -22.398
  992   1HD   LYS 132          HD2       LYS 132  -9.511   7.828 -22.673
  993   2HD   LYS 132          HD3       LYS 132  -7.845   7.645 -23.240
  994   1HE   LYS 132          HE2       LYS 132  -8.547   6.111 -24.982
  995   2HE   LYS 132          HE3       LYS 132 -10.164   5.973 -24.274
  996   1HZ   LYS 132          HZ1       LYS 132 -10.506   8.336 -24.747
  997   2HZ   LYS 132          HZ2       LYS 132  -9.056   8.416 -25.518
  998   3HZ   LYS 132          HZ3       LYS 132 -10.244   7.471 -26.117
  999    H    GLU 133           H        GLU 133  -7.828   9.249 -20.886
 1000    HA   GLU 133           HA       GLU 133  -5.487   8.993 -22.550
 1001   1HB   GLU 133          HB2       GLU 133  -6.817  11.484 -21.394
 1002   2HB   GLU 133          HB3       GLU 133  -5.474  11.500 -22.546
 1003   1HG   GLU 133          HG2       GLU 133  -6.871  10.251 -24.185
 1004   2HG   GLU 133          HG3       GLU 133  -8.244  10.338 -23.077
 1005    H    PHE 134           H        PHE 134  -5.920  10.466 -19.295
 1006    HA   PHE 134           HA       PHE 134  -3.275  11.358 -19.039
 1007   1HB   PHE 134          HB2       PHE 134  -4.991  12.090 -17.570
 1008   2HB   PHE 134          HB3       PHE 134  -5.368  10.436 -17.068
 1009    HD1  PHE 134           HD1      PHE 134  -4.096   9.261 -15.447
 1010    HD2  PHE 134           HD2      PHE 134  -2.969  13.227 -16.681
 1011    HE1  PHE 134           HE1      PHE 134  -2.418   9.353 -13.602
 1012    HE2  PHE 134           HE2      PHE 134  -1.264  13.302 -14.887
 1013    HZ   PHE 134           HZ       PHE 134  -0.981  11.355 -13.362
 1014    H    ALA 135           H        ALA 135  -4.635   8.133 -18.400
 1015    HA   ALA 135           HA       ALA 135  -2.208   7.027 -17.354
 1016   1HB   ALA 135          HB1       ALA 135  -4.408   6.080 -16.823
 1017   2HB   ALA 135          HB2       ALA 135  -4.655   5.648 -18.531
 1018   3HB   ALA 135          HB3       ALA 135  -3.368   4.865 -17.591
 1019    H    GLU 136           H        GLU 136  -3.790   6.872 -20.554
 1020    HA   GLU 136           HA       GLU 136  -1.888   5.107 -21.732
 1021   1HB   GLU 136          HB2       GLU 136  -4.014   6.944 -22.880
 1022   2HB   GLU 136          HB3       GLU 136  -2.996   5.943 -23.907
 1023   1HG   GLU 136          HG2       GLU 136  -4.735   4.796 -21.680
 1024   2HG   GLU 136          HG3       GLU 136  -5.250   4.958 -23.354
 1025    H    THR 137           H        THR 137  -2.198   8.635 -21.761
 1026    HA   THR 137           HA       THR 137   0.053   8.930 -23.513
 1027    HB   THR 137           HB       THR 137  -0.424  11.258 -23.463
 1028    HG1  THR 137           HG1      THR 137  -2.429  10.706 -21.550
 1029   1HG2  THR 137          HG21      THR 137  -1.819   9.847 -24.905
 1030   2HG2  THR 137          HG22      THR 137  -2.987   9.594 -23.605
 1031   3HG2  THR 137          HG23      THR 137  -2.761  11.221 -24.281
 1032    H    GLY 138           H        GLY 138  -0.500   8.671 -20.128
 1033   1HA   GLY 138          HA1       GLY 138   0.729   8.882 -18.254
 1034   2HA   GLY 138          HA2       GLY 138   2.206   8.805 -19.248
 1035    H    LYS 139           H        LYS 139  -0.515  11.144 -19.277
 1036    HA   LYS 139           HA       LYS 139   1.017  13.316 -19.939
 1037   1HB   LYS 139          HB2       LYS 139  -1.563  12.927 -19.838
 1038   2HB   LYS 139          HB3       LYS 139  -1.462  13.682 -18.246
 1039   1HG   LYS 139          HG2       LYS 139  -0.534  15.708 -19.170
 1040   2HG   LYS 139          HG3       LYS 139  -0.296  14.964 -20.752
 1041   1HD   LYS 139          HD2       LYS 139  -2.951  15.658 -19.442
 1042   2HD   LYS 139          HD3       LYS 139  -2.207  16.454 -20.821
 1043   1HE   LYS 139          HE2       LYS 139  -3.480  13.690 -20.719
 1044   2HE   LYS 139          HE3       LYS 139  -3.986  15.101 -21.648
 1045   1HZ   LYS 139          HZ1       LYS 139  -1.697  13.326 -22.175
 1046   2HZ   LYS 139          HZ2       LYS 139  -2.940  13.687 -23.146
 1047   3HZ   LYS 139          HZ3       LYS 139  -1.804  14.825 -22.878
  Start of MODEL   12
    1   1H    MET   1           H1       MET   1   0.600  -0.896  -0.605
    2   2H    MET   1           H2       MET   1  -0.040   0.592  -0.855
    3   3H    MET   1           H3       MET   1   0.747  -0.164  -2.074
    4    HA   MET   1           HA       MET   1   1.962   0.791   0.435
    5   1HB   MET   1          HB2       MET   1   3.239  -0.541  -1.997
    6   2HB   MET   1          HB3       MET   1   4.134   0.334  -0.752
    7   1HG   MET   1          HG2       MET   1   3.310  -1.233   0.977
    8   2HG   MET   1          HG3       MET   1   2.402  -2.113  -0.252
    9   1HE   MET   1          HE1       MET   1   5.878  -1.352   1.329
   10   2HE   MET   1          HE2       MET   1   7.016  -2.157   0.227
   11   3HE   MET   1          HE3       MET   1   6.183  -0.677  -0.289
   12    H    GLU   2           H        GLU   2   2.709   2.894   0.411
   13    HA   GLU   2           HA       GLU   2   1.872   4.726  -1.590
   14   1HB   GLU   2          HB2       GLU   2   4.086   4.901   0.522
   15   2HB   GLU   2          HB3       GLU   2   3.532   6.253  -0.450
   16   1HG   GLU   2          HG2       GLU   2   2.555   6.405   1.734
   17   2HG   GLU   2          HG3       GLU   2   1.307   6.146   0.529
   18    H    ASN   3           H        ASN   3   3.079   5.824  -3.234
   19    HA   ASN   3           HA       ASN   3   5.854   5.161  -3.728
   20   1HB   ASN   3          HB2       ASN   3   5.125   3.266  -4.888
   21   2HB   ASN   3          HB3       ASN   3   3.736   4.085  -5.572
   22   1HD2  ASN   3          HD21      ASN   3   3.977   5.168  -7.545
   23   2HD2  ASN   3          HD22      ASN   3   5.518   5.325  -8.383
   24    H    LYS   4           H        LYS   4   2.908   6.523  -5.271
   25    HA   LYS   4           HA       LYS   4   4.051   9.191  -5.010
   26   1HB   LYS   4          HB2       LYS   4   3.915   9.889  -7.268
   27   2HB   LYS   4          HB3       LYS   4   4.871   8.423  -7.230
   28   1HG   LYS   4          HG2       LYS   4   2.563   7.256  -7.853
   29   2HG   LYS   4          HG3       LYS   4   2.107   8.884  -8.359
   30   1HD   LYS   4          HD2       LYS   4   4.172   8.944  -9.815
   31   2HD   LYS   4          HD3       LYS   4   4.524   7.273  -9.322
   32   1HE   LYS   4          HE2       LYS   4   2.160   6.691 -10.168
   33   2HE   LYS   4          HE3       LYS   4   2.136   8.308 -10.884
   34   1HZ   LYS   4          HZ1       LYS   4   4.285   7.530 -12.035
   35   2HZ   LYS   4          HZ2       LYS   4   3.807   5.995 -11.623
   36   3HZ   LYS   4          HZ3       LYS   4   2.868   6.918 -12.566
   37    H    ILE   5           H        ILE   5   2.149  10.814  -5.890
   38    HA   ILE   5           HA       ILE   5  -0.411   9.742  -4.807
   39    HB   ILE   5           HB       ILE   5   1.121  12.167  -3.813
   40   1HG1  ILE   5          HG12      ILE   5   0.775   9.459  -2.537
   41   2HG1  ILE   5          HG13      ILE   5   2.242  10.347  -2.895
   42   1HG2  ILE   5          HG21      ILE   5  -1.331  12.578  -3.770
   43   2HG2  ILE   5          HG22      ILE   5  -1.555  11.088  -2.836
   44   3HG2  ILE   5          HG23      ILE   5  -0.692  12.491  -2.152
   45   1HD1  ILE   5          HD11      ILE   5   1.925  10.435  -0.544
   46   2HD1  ILE   5          HD12      ILE   5   1.567  12.059  -1.184
   47   3HD1  ILE   5          HD13      ILE   5   0.244  10.958  -0.700
   48    H    ILE   6           H        ILE   6  -2.225  10.751  -5.661
   49    HA   ILE   6           HA       ILE   6  -1.851  13.113  -7.407
   50    HB   ILE   6           HB       ILE   6  -1.964  11.333  -8.933
   51   1HG1  ILE   6          HG12      ILE   6  -4.718  12.624  -8.764
   52   2HG1  ILE   6          HG13      ILE   6  -3.265  13.329  -9.482
   53   1HG2  ILE   6          HG21      ILE   6  -2.863   9.530  -7.489
   54   2HG2  ILE   6          HG22      ILE   6  -4.468  10.285  -7.569
   55   3HG2  ILE   6          HG23      ILE   6  -3.701   9.607  -9.021
   56   1HD1  ILE   6          HD11      ILE   6  -4.848  10.925 -10.469
   57   2HD1  ILE   6          HD12      ILE   6  -4.603  12.476 -11.275
   58   3HD1  ILE   6          HD13      ILE   6  -3.243  11.346 -11.104
   59    H    TYR   7           H        TYR   7  -3.373  14.687  -7.001
   60    HA   TYR   7           HA       TYR   7  -5.519  14.073  -5.032
   61   1HB   TYR   7          HB2       TYR   7  -3.415  15.112  -4.087
   62   2HB   TYR   7          HB3       TYR   7  -3.730  16.542  -5.059
   63    HD1  TYR   7           HD1      TYR   7  -4.216  18.233  -3.520
   64    HD2  TYR   7           HD2      TYR   7  -6.023  14.360  -2.952
   65    HE1  TYR   7           HE1      TYR   7  -5.329  19.052  -1.460
   66    HE2  TYR   7           HE2      TYR   7  -7.180  15.188  -0.936
   67    HH   TYR   7           HH       TYR   7  -7.451  16.977   0.536
   68    H    PHE   8           H        PHE   8  -7.354  14.194  -6.195
   69    HA   PHE   8           HA       PHE   8  -7.666  16.076  -8.416
   70   1HB   PHE   8          HB2       PHE   8  -9.628  14.233  -6.982
   71   2HB   PHE   8          HB3       PHE   8 -10.038  15.247  -8.366
   72    HD1  PHE   8           HD1      PHE   8  -8.684  12.050  -7.369
   73    HD2  PHE   8           HD2      PHE   8  -8.739  14.985 -10.526
   74    HE1  PHE   8           HE1      PHE   8  -7.782  10.375  -8.965
   75    HE2  PHE   8           HE2      PHE   8  -7.766  13.326 -12.093
   76    HZ   PHE   8           HZ       PHE   8  -7.264  11.019 -11.295
   77    H    LEU   9           H        LEU   9  -8.933  17.938  -8.446
   78    HA   LEU   9           HA       LEU   9  -9.977  18.993  -5.878
   79   1HB   LEU   9          HB2       LEU   9  -7.545  19.544  -6.215
   80   2HB   LEU   9          HB3       LEU   9  -7.927  20.305  -7.740
   81    HG   LEU   9           HG       LEU   9  -7.453  21.853  -5.877
   82   1HD1  LEU   9          HD11      LEU   9  -9.000  22.499  -7.813
   83   2HD1  LEU   9          HD12      LEU   9 -10.343  22.305  -6.654
   84   3HD1  LEU   9          HD13      LEU   9  -9.062  23.480  -6.348
   85   1HD2  LEU   9          HD21      LEU   9 -10.033  20.805  -4.654
   86   2HD2  LEU   9          HD22      LEU   9  -8.397  20.614  -4.011
   87   3HD2  LEU   9          HD23      LEU   9  -9.149  22.226  -4.108
   88    H    CYS  10           H        CYS  10 -11.917  20.127  -6.238
   89    HA   CYS  10           HA       CYS  10 -12.415  21.327  -8.863
   90   1HB   CYS  10          HB2       CYS  10 -13.239  18.792  -8.742
   91   2HB   CYS  10          HB3       CYS  10 -14.586  19.487  -7.824
   92    HG   CYS  10           HG       CYS  10 -13.381  20.317 -10.812
   93    H    THR  11           H        THR  11 -14.818  22.512  -8.676
   94    HA   THR  11           HA       THR  11 -14.520  24.192  -6.375
   95    HB   THR  11           HB       THR  11 -16.723  25.167  -7.308
   96    HG1  THR  11           HG1      THR  11 -17.122  24.662  -9.411
   97   1HG2  THR  11          HG21      THR  11 -14.245  25.144  -9.073
   98   2HG2  THR  11          HG22      THR  11 -15.465  26.420  -8.946
   99   3HG2  THR  11          HG23      THR  11 -14.392  26.084  -7.575
  100    H    GLY  12           H        GLY  12 -16.002  21.173  -6.581
  101   1HA   GLY  12          HA1       GLY  12 -16.819  21.409  -3.834
  102   2HA   GLY  12          HA2       GLY  12 -18.181  21.070  -4.930
  103    H    ASN  13           H        ASN  13 -15.998  19.546  -3.013
  104    HA   ASN  13           HA       ASN  13 -14.767  17.625  -4.672
  105   1HB   ASN  13          HB2       ASN  13 -14.111  18.059  -2.307
  106   2HB   ASN  13          HB3       ASN  13 -15.632  17.402  -1.759
  107   1HD2  ASN  13          HD22      ASN  13 -13.912  15.684  -4.435
  108   2HD2  ASN  13          HD21      ASN  13 -13.373  14.370  -3.411
  109    H    SER  14           H        SER  14 -17.820  17.631  -2.969
  110    HA   SER  14           HA       SER  14 -18.642  15.220  -2.580
  111   1HB   SER  14          HB2       SER  14 -20.404  17.376  -3.775
  112   2HB   SER  14          HB3       SER  14 -20.864  16.161  -2.561
  113    HG   SER  14           HG       SER  14 -20.248  18.447  -1.932
  114    H    CYS  15           H        CYS  15 -18.484  16.386  -5.925
  115    HA   CYS  15           HA       CYS  15 -19.585  13.770  -6.774
  116   1HB   CYS  15          HB2       CYS  15 -20.663  14.982  -8.722
  117   2HB   CYS  15          HB3       CYS  15 -21.422  15.199  -7.143
  118    HG   CYS  15           HG       CYS  15 -21.580  17.492  -8.365
  119    H    ARG  16           H        ARG  16 -18.172  16.569  -8.555
  120    HA   ARG  16           HA       ARG  16 -17.141  14.933 -10.530
  121   1HB   ARG  16          HB2       ARG  16 -15.972  17.630  -9.707
  122   2HB   ARG  16          HB3       ARG  16 -15.674  16.805 -11.226
  123   1HG   ARG  16          HG2       ARG  16 -17.503  17.728 -12.129
  124   2HG   ARG  16          HG3       ARG  16 -18.497  16.833 -11.003
  125   1HD   ARG  16          HD2       ARG  16 -19.198  18.847 -10.267
  126   2HD   ARG  16          HD3       ARG  16 -17.690  18.922  -9.386
  127    HE   ARG  16           HE       ARG  16 -17.374  19.869 -12.111
  128   1HH1  ARG  16          HH21      ARG  16 -18.902  20.990  -9.098
  129   2HH1  ARG  16          HH22      ARG  16 -17.989  22.490  -9.082
  130   1HH2  ARG  16          HH11      ARG  16 -16.674  21.963 -12.333
  131   2HH2  ARG  16          HH12      ARG  16 -16.834  23.117 -11.024
  132    H    SER  17           H        SER  17 -15.148  16.043  -7.674
  133    HA   SER  17           HA       SER  17 -12.958  14.492  -8.802
  134   1HB   SER  17          HB2       SER  17 -11.730  15.307  -6.793
  135   2HB   SER  17          HB3       SER  17 -12.352  16.539  -7.871
  136    HG   SER  17           HG       SER  17 -12.751  17.076  -5.718
  137    H    GLN  18           H        GLN  18 -15.473  13.863  -6.366
  138    HA   GLN  18           HA       GLN  18 -14.299  11.439  -5.338
  139   1HB   GLN  18          HB2       GLN  18 -17.193  12.358  -5.723
  140   2HB   GLN  18          HB3       GLN  18 -16.781  10.825  -4.978
  141   1HG   GLN  18          HG2       GLN  18 -15.849  13.522  -3.939
  142   2HG   GLN  18          HG3       GLN  18 -17.272  12.676  -3.354
  143   1HE2  GLN  18          HE22      GLN  18 -14.714  13.476  -1.943
  144   2HE2  GLN  18          HE21      GLN  18 -14.185  11.982  -1.213
  145    H    MET  19           H        MET  19 -16.334  12.114  -8.233
  146    HA   MET  19           HA       MET  19 -16.513   9.380  -9.105
  147   1HB   MET  19          HB2       MET  19 -16.733  12.028 -10.611
  148   2HB   MET  19          HB3       MET  19 -17.100  10.452 -11.320
  149   1HG   MET  19          HG2       MET  19 -18.961  10.103  -9.883
  150   2HG   MET  19          HG3       MET  19 -18.454  11.365  -8.779
  151   1HE   MET  19          HE1       MET  19 -18.915  11.405 -12.758
  152   2HE   MET  19          HE2       MET  19 -20.301  10.511 -12.084
  153   3HE   MET  19          HE3       MET  19 -20.549  12.102 -12.838
  154    H    ALA  20           H        ALA  20 -14.278  12.084 -10.042
  155    HA   ALA  20           HA       ALA  20 -12.687  10.657 -11.844
  156   1HB   ALA  20          HB1       ALA  20 -10.953  12.313 -11.386
  157   2HB   ALA  20          HB2       ALA  20 -12.532  13.121 -11.399
  158   3HB   ALA  20          HB3       ALA  20 -11.723  12.761  -9.857
  159    H    GLU  21           H        GLU  21 -12.338  10.882  -8.286
  160    HA   GLU  21           HA       GLU  21  -9.981   9.439  -7.986
  161   1HB   GLU  21          HB2       GLU  21 -11.015  10.718  -6.205
  162   2HB   GLU  21          HB3       GLU  21 -12.434   9.666  -6.189
  163   1HG   GLU  21          HG2       GLU  21 -10.993   7.771  -5.480
  164   2HG   GLU  21          HG3       GLU  21  -9.614   8.870  -5.398
  165    H    GLY  22           H        GLY  22 -13.385   8.162  -8.034
  166   1HA   GLY  22          HA1       GLY  22 -12.705   5.459  -7.631
  167   2HA   GLY  22          HA2       GLY  22 -14.176   6.050  -8.405
  168    H    TRP  23           H        TRP  23 -13.013   7.282 -10.765
  169    HA   TRP  23           HA       TRP  23 -12.554   4.892 -12.378
  170   1HB   TRP  23          HB2       TRP  23 -12.259   7.842 -13.002
  171   2HB   TRP  23          HB3       TRP  23 -11.930   6.576 -14.170
  172    HD1  TRP  23           HD1      TRP  23 -14.697   8.491 -12.555
  173    HE1  TRP  23           HE1      TRP  23 -16.883   8.127 -13.755
  174    HE3  TRP  23           HE3      TRP  23 -13.286   4.641 -15.634
  175    HZ2  TRP  23           HZ2      TRP  23 -17.900   6.486 -15.878
  176    HZ3  TRP  23           HZ3      TRP  23 -14.894   3.770 -17.315
  177    HH2  TRP  23           HH2      TRP  23 -17.222   4.719 -17.432
  178    H    ALA  24           H        ALA  24 -10.436   7.536 -11.127
  179    HA   ALA  24           HA       ALA  24  -8.126   6.693 -12.506
  180   1HB   ALA  24          HB1       ALA  24  -6.909   8.113 -10.885
  181   2HB   ALA  24          HB2       ALA  24  -8.382   8.920 -11.444
  182   3HB   ALA  24          HB3       ALA  24  -8.349   8.166  -9.844
  183    H    LYS  25           H        LYS  25  -9.460   5.715  -9.338
  184    HA   LYS  25           HA       LYS  25  -7.285   4.101  -8.507
  185   1HB   LYS  25          HB2       LYS  25 -10.257   4.097  -7.903
  186   2HB   LYS  25          HB3       LYS  25  -9.207   2.833  -7.247
  187   1HG   LYS  25          HG2       LYS  25  -7.800   4.414  -6.125
  188   2HG   LYS  25          HG3       LYS  25  -8.585   5.791  -6.902
  189   1HD   LYS  25          HD2       LYS  25 -10.636   5.442  -5.680
  190   2HD   LYS  25          HD3       LYS  25 -10.047   3.893  -5.029
  191   1HE   LYS  25          HE2       LYS  25  -8.200   5.041  -3.865
  192   2HE   LYS  25          HE3       LYS  25  -8.727   6.603  -4.502
  193   1HZ   LYS  25          HZ1       LYS  25 -10.463   4.956  -2.765
  194   2HZ   LYS  25          HZ2       LYS  25  -9.414   6.065  -2.185
  195   3HZ   LYS  25          HZ3       LYS  25 -10.620   6.569  -3.139
  196    H    GLN  26           H        GLN  26  -9.658   3.464 -11.040
  197    HA   GLN  26           HA       GLN  26  -8.993   0.617 -11.213
  198   1HB   GLN  26          HB2       GLN  26 -10.161   2.374 -13.381
  199   2HB   GLN  26          HB3       GLN  26 -10.076   0.624 -13.343
  200   1HG   GLN  26          HG2       GLN  26 -11.634   0.634 -11.364
  201   2HG   GLN  26          HG3       GLN  26 -11.811   2.390 -11.576
  202   1HE2  GLN  26          HE22      GLN  26 -11.956   2.838 -14.203
  203   2HE2  GLN  26          HE21      GLN  26 -13.286   1.976 -14.954
  204    H    TYR  27           H        TYR  27  -8.340   3.490 -13.228
  205    HA   TYR  27           HA       TYR  27  -6.610   2.113 -15.002
  206   1HB   TYR  27          HB2       TYR  27  -6.912   5.102 -14.507
  207   2HB   TYR  27          HB3       TYR  27  -6.082   4.388 -15.878
  208    HD1  TYR  27           HD1      TYR  27  -7.544   2.515 -17.197
  209    HD2  TYR  27           HD2      TYR  27  -9.114   5.839 -14.938
  210    HE1  TYR  27           HE1      TYR  27  -9.626   2.435 -18.532
  211    HE2  TYR  27           HE2      TYR  27 -11.170   5.802 -16.306
  212    HH   TYR  27           HH       TYR  27 -12.327   4.750 -18.048
  213    H    LEU  28           H        LEU  28  -5.802   4.131 -12.176
  214    HA   LEU  28           HA       LEU  28  -2.998   4.309 -12.983
  215   1HB   LEU  28          HB2       LEU  28  -4.427   5.332 -10.496
  216   2HB   LEU  28          HB3       LEU  28  -2.811   5.744 -11.006
  217    HG   LEU  28           HG       LEU  28  -5.387   6.532 -12.379
  218   1HD1  LEU  28          HD11      LEU  28  -4.628   7.842 -10.398
  219   2HD1  LEU  28          HD12      LEU  28  -3.104   8.189 -11.236
  220   3HD1  LEU  28          HD13      LEU  28  -4.637   8.794 -11.896
  221   1HD2  LEU  28          HD21      LEU  28  -2.558   6.977 -13.409
  222   2HD2  LEU  28          HD22      LEU  28  -3.819   5.988 -14.182
  223   3HD2  LEU  28          HD23      LEU  28  -4.043   7.722 -14.046
  224    H    GLY  29           H        GLY  29  -4.808   2.687 -10.398
  225   1HA   GLY  29          HA1       GLY  29  -4.305   0.723  -9.296
  226   2HA   GLY  29          HA2       GLY  29  -2.794   0.604 -10.201
  227    H    ASP  30           H        ASP  30  -2.384  -0.185  -7.859
  228    HA   ASP  30           HA       ASP  30  -2.341   1.541  -5.646
  229   1HB   ASP  30          HB2       ASP  30  -2.364  -0.940  -5.581
  230   2HB   ASP  30          HB3       ASP  30  -0.683  -0.952  -6.134
  231    H    GLU  31           H        GLU  31  -0.068   1.376  -8.231
  232    HA   GLU  31           HA       GLU  31   2.309   2.390  -7.042
  233   1HB   GLU  31          HB2       GLU  31   2.021   1.479  -9.365
  234   2HB   GLU  31          HB3       GLU  31   1.095   2.915  -9.803
  235   1HG   GLU  31          HG2       GLU  31   3.098   4.320  -9.312
  236   2HG   GLU  31          HG3       GLU  31   4.013   2.855  -8.927
  237    H    TRP  32           H        TRP  32  -0.824   3.846  -7.262
  238    HA   TRP  32           HA       TRP  32   0.341   6.506  -6.598
  239   1HB   TRP  32          HB2       TRP  32  -2.267   6.025  -8.066
  240   2HB   TRP  32          HB3       TRP  32  -1.490   7.555  -7.735
  241    HD1  TRP  32           HD1      TRP  32  -0.677   4.358  -9.764
  242    HE1  TRP  32           HE1      TRP  32  -0.077   5.037 -12.140
  243    HE3  TRP  32           HE3      TRP  32  -0.671   9.434  -9.162
  244    HZ2  TRP  32           HZ2      TRP  32   0.291   7.453 -13.630
  245    HZ3  TRP  32           HZ3      TRP  32  -0.247  10.919 -11.091
  246    HH2  TRP  32           HH2      TRP  32   0.224   9.921 -13.358
  247    H    LYS  33           H        LYS  33  -0.576   7.475  -4.844
  248    HA   LYS  33           HA       LYS  33  -2.844   6.159  -3.416
  249   1HB   LYS  33          HB2       LYS  33  -1.169   8.625  -2.779
  250   2HB   LYS  33          HB3       LYS  33  -2.459   8.018  -1.762
  251   1HG   LYS  33          HG2       LYS  33  -0.150   6.207  -2.520
  252   2HG   LYS  33          HG3       LYS  33   0.063   7.408  -1.251
  253   1HD   LYS  33          HD2       LYS  33  -2.163   5.323  -1.197
  254   2HD   LYS  33          HD3       LYS  33  -0.563   5.078  -0.486
  255   1HE   LYS  33          HE2       LYS  33  -0.929   7.282   0.793
  256   2HE   LYS  33          HE3       LYS  33  -2.612   7.201   0.279
  257   1HZ   LYS  33          HZ1       LYS  33  -2.760   5.033   1.418
  258   2HZ   LYS  33          HZ2       LYS  33  -1.190   5.163   1.903
  259   3HZ   LYS  33          HZ3       LYS  33  -2.318   6.213   2.457
  260    H    VAL  34           H        VAL  34  -4.870   7.039  -3.697
  261    HA   VAL  34           HA       VAL  34  -5.077   9.414  -5.510
  262    HB   VAL  34           HB       VAL  34  -6.869   6.964  -5.602
  263   1HG1  VAL  34          HG11      VAL  34  -6.438   9.123  -7.700
  264   2HG1  VAL  34          HG12      VAL  34  -7.709   7.886  -7.654
  265   3HG1  VAL  34          HG13      VAL  34  -7.729   9.214  -6.494
  266   1HG2  VAL  34          HG21      VAL  34  -5.744   6.362  -7.746
  267   2HG2  VAL  34          HG22      VAL  34  -4.479   7.557  -7.392
  268   3HG2  VAL  34          HG23      VAL  34  -4.708   6.146  -6.337
  269    H    TYR  35           H        TYR  35  -6.099  11.024  -4.495
  270    HA   TYR  35           HA       TYR  35  -8.511  10.347  -2.933
  271   1HB   TYR  35          HB2       TYR  35  -7.053  12.628  -1.779
  272   2HB   TYR  35          HB3       TYR  35  -7.980  11.377  -1.008
  273    HD1  TYR  35           HD1      TYR  35  -6.838   9.231  -0.294
  274    HD2  TYR  35           HD2      TYR  35  -4.675  12.556  -1.989
  275    HE1  TYR  35           HE1      TYR  35  -4.749   8.412   0.765
  276    HE2  TYR  35           HE2      TYR  35  -2.612  11.791  -0.895
  277    HH   TYR  35           HH       TYR  35  -1.642  10.212   0.525
  278    H    SER  36           H        SER  36  -9.775  12.417  -2.528
  279    HA   SER  36           HA       SER  36  -9.355  14.464  -4.618
  280   1HB   SER  36          HB2       SER  36 -11.800  14.378  -5.014
  281   2HB   SER  36          HB3       SER  36 -10.964  12.909  -5.541
  282    HG   SER  36           HG       SER  36 -11.742  11.847  -3.741
  283    H    ALA  37           H        ALA  37 -10.155  16.496  -4.084
  284    HA   ALA  37           HA       ALA  37 -11.680  16.870  -1.610
  285   1HB   ALA  37          HB1       ALA  37  -9.095  18.380  -2.195
  286   2HB   ALA  37          HB2       ALA  37 -10.210  18.602  -0.818
  287   3HB   ALA  37          HB3       ALA  37  -9.298  17.104  -0.959
  288    H    GLY  38           H        GLY  38 -11.762  19.639  -1.721
  289   1HA   GLY  38          HA1       GLY  38 -12.122  20.616  -4.403
  290   2HA   GLY  38          HA2       GLY  38 -13.647  20.321  -3.563
  291    H    ILE  39           H        ILE  39 -13.136  22.848  -4.275
  292    HA   ILE  39           HA       ILE  39 -11.953  24.582  -2.357
  293    HB   ILE  39           HB       ILE  39 -14.262  24.731  -4.309
  294   1HG1  ILE  39          HG12      ILE  39 -12.985  26.566  -5.310
  295   2HG1  ILE  39          HG13      ILE  39 -11.793  26.478  -4.014
  296   1HG2  ILE  39          HG21      ILE  39 -13.692  26.975  -2.356
  297   2HG2  ILE  39          HG22      ILE  39 -14.677  27.107  -3.831
  298   3HG2  ILE  39          HG23      ILE  39 -15.207  26.048  -2.534
  299   1HD1  ILE  39          HD11      ILE  39 -11.047  25.462  -6.157
  300   2HD1  ILE  39          HD12      ILE  39 -11.030  24.291  -4.829
  301   3HD1  ILE  39          HD13      ILE  39 -12.335  24.269  -6.042
  302    H    GLU  40           H        GLU  40 -15.073  22.877  -2.453
  303    HA   GLU  40           HA       GLU  40 -15.113  22.888   0.486
  304   1HB   GLU  40          HB2       GLU  40 -17.453  23.475   0.639
  305   2HB   GLU  40          HB3       GLU  40 -16.553  24.783  -0.115
  306   1HG   GLU  40          HG2       GLU  40 -17.356  24.079  -2.354
  307   2HG   GLU  40          HG3       GLU  40 -18.233  22.721  -1.639
  308    H    ALA  41           H        ALA  41 -17.131  21.389   1.087
  309    HA   ALA  41           HA       ALA  41 -17.648  19.140  -0.721
  310   1HB   ALA  41          HB1       ALA  41 -15.557  18.463   0.412
  311   2HB   ALA  41          HB2       ALA  41 -16.291  18.810   1.997
  312   3HB   ALA  41          HB3       ALA  41 -16.939  17.509   0.985
  313    H    HIS  42           H        HIS  42 -19.474  17.986   0.092
  314    HA   HIS  42           HA       HIS  42 -20.945  19.185   2.402
  315   1HB   HIS  42          HB2       HIS  42 -21.803  20.043   0.219
  316   2HB   HIS  42          HB3       HIS  42 -22.106  18.384  -0.299
  317    HD1  HIS  42           HD1      HIS  42 -23.359  20.872   2.419
  318    HD2  HIS  42           HD2      HIS  42 -24.413  17.326   0.402
  319    HE1  HIS  42           HE1      HIS  42 -25.750  20.341   3.108
  320    H    GLY  43           H        GLY  43 -20.150  16.322   0.387
  321   1HA   GLY  43          HA1       GLY  43 -20.074  14.475   2.407
  322   2HA   GLY  43          HA2       GLY  43 -21.777  14.481   1.890
  323    H    LEU  44           H        LEU  44 -20.765  12.171   1.350
  324    HA   LEU  44           HA       LEU  44 -19.552  12.057  -1.335
  325   1HB   LEU  44          HB2       LEU  44 -19.129  10.291   0.410
  326   2HB   LEU  44          HB3       LEU  44 -20.853   9.922   0.423
  327    HG   LEU  44           HG       LEU  44 -20.624   9.447  -2.108
  328   1HD1  LEU  44          HD11      LEU  44 -18.328   8.767  -2.828
  329   2HD1  LEU  44          HD12      LEU  44 -18.479  10.508  -2.570
  330   3HD1  LEU  44          HD13      LEU  44 -17.675   9.496  -1.351
  331   1HD2  LEU  44          HD21      LEU  44 -19.213   7.720  -0.043
  332   2HD2  LEU  44          HD22      LEU  44 -20.920   7.658  -0.508
  333   3HD2  LEU  44          HD23      LEU  44 -19.663   7.184  -1.668
  334    H    ASN  45           H        ASN  45 -20.957  13.000  -2.860
  335    HA   ASN  45           HA       ASN  45 -23.719  13.313  -2.395
  336   1HB   ASN  45          HB2       ASN  45 -22.301  14.678  -3.924
  337   2HB   ASN  45          HB3       ASN  45 -22.322  13.358  -5.099
  338   1HD2  ASN  45          HD22      ASN  45 -23.488  16.238  -5.058
  339   2HD2  ASN  45          HD21      ASN  45 -25.154  15.991  -5.515
  340    HA   PRO  46           HA       PRO  46 -25.105   9.094  -3.354
  341   1HB   PRO  46          HB2       PRO  46 -27.686  10.565  -3.912
  342   2HB   PRO  46          HB3       PRO  46 -27.431   9.036  -3.013
  343   1HG   PRO  46          HG2       PRO  46 -27.816  11.361  -1.671
  344   2HG   PRO  46          HG3       PRO  46 -26.551  10.210  -1.125
  345   1HD   PRO  46          HD2       PRO  46 -26.215  12.727  -2.774
  346   2HD   PRO  46          HD3       PRO  46 -25.233  12.128  -1.401
  347    H    ASN  47           H        ASN  47 -25.715  11.894  -5.531
  348    HA   ASN  47           HA       ASN  47 -26.366  10.333  -7.838
  349   1HB   ASN  47          HB2       ASN  47 -26.553  12.280  -8.882
  350   2HB   ASN  47          HB3       ASN  47 -26.338  13.058  -7.336
  351   1HD2  ASN  47          HD22      ASN  47 -25.207  12.900 -10.555
  352   2HD2  ASN  47          HD21      ASN  47 -23.642  13.637 -10.316
  353    H    ALA  48           H        ALA  48 -23.256  11.352  -6.416
  354    HA   ALA  48           HA       ALA  48 -21.674  10.442  -8.644
  355   1HB   ALA  48          HB1       ALA  48 -20.879  10.923  -5.730
  356   2HB   ALA  48          HB2       ALA  48 -19.783  10.751  -7.105
  357   3HB   ALA  48          HB3       ALA  48 -20.894  12.137  -7.029
  358    H    VAL  49           H        VAL  49 -22.746   9.021  -5.510
  359    HA   VAL  49           HA       VAL  49 -21.287   6.597  -5.763
  360    HB   VAL  49           HB       VAL  49 -23.980   6.914  -4.390
  361   1HG1  VAL  49          HG11      VAL  49 -23.146   4.998  -3.049
  362   2HG1  VAL  49          HG12      VAL  49 -23.293   4.566  -4.758
  363   3HG1  VAL  49          HG13      VAL  49 -21.694   4.914  -4.073
  364   1HG2  VAL  49          HG21      VAL  49 -21.150   7.377  -3.395
  365   2HG2  VAL  49          HG22      VAL  49 -22.465   8.564  -3.452
  366   3HG2  VAL  49          HG23      VAL  49 -22.574   7.208  -2.334
  367    H    LYS  50           H        LYS  50 -24.698   7.390  -6.800
  368    HA   LYS  50           HA       LYS  50 -24.993   4.775  -7.872
  369   1HB   LYS  50          HB2       LYS  50 -26.853   6.433  -7.210
  370   2HB   LYS  50          HB3       LYS  50 -26.630   7.152  -8.818
  371   1HG   LYS  50          HG2       LYS  50 -27.011   4.848  -9.817
  372   2HG   LYS  50          HG3       LYS  50 -27.287   4.227  -8.184
  373   1HD   LYS  50          HD2       LYS  50 -29.218   5.791  -7.943
  374   2HD   LYS  50          HD3       LYS  50 -28.945   6.337  -9.616
  375   1HE   LYS  50          HE2       LYS  50 -29.285   4.019 -10.432
  376   2HE   LYS  50          HE3       LYS  50 -29.557   3.470  -8.773
  377   1HZ   LYS  50          HZ1       LYS  50 -31.266   5.410 -10.226
  378   2HZ   LYS  50          HZ2       LYS  50 -31.638   3.852  -9.927
  379   3HZ   LYS  50          HZ3       LYS  50 -31.514   4.903  -8.690
  380    H    ALA  51           H        ALA  51 -24.023   7.863  -9.467
  381    HA   ALA  51           HA       ALA  51 -24.033   6.922 -12.105
  382   1HB   ALA  51          HB1       ALA  51 -23.649   9.299 -11.507
  383   2HB   ALA  51          HB2       ALA  51 -22.076   8.873 -10.785
  384   3HB   ALA  51          HB3       ALA  51 -22.329   8.696 -12.531
  385    H    MET  52           H        MET  52 -21.350   6.757  -9.685
  386    HA   MET  52           HA       MET  52 -19.558   5.398 -11.458
  387   1HB   MET  52          HB2       MET  52 -19.726   5.753  -8.443
  388   2HB   MET  52          HB3       MET  52 -18.342   5.058  -9.286
  389   1HG   MET  52          HG2       MET  52 -19.445   7.868  -9.717
  390   2HG   MET  52          HG3       MET  52 -18.027   7.464  -8.766
  391   1HE   MET  52          HE1       MET  52 -15.425   6.302 -11.315
  392   2HE   MET  52          HE2       MET  52 -15.796   6.748  -9.635
  393   3HE   MET  52          HE3       MET  52 -16.549   5.324 -10.385
  394    H    LYS  53           H        LYS  53 -21.855   4.276  -8.896
  395    HA   LYS  53           HA       LYS  53 -21.019   1.584  -8.965
  396   1HB   LYS  53          HB2       LYS  53 -22.314   2.745  -7.191
  397   2HB   LYS  53          HB3       LYS  53 -23.745   2.727  -8.231
  398   1HG   LYS  53          HG2       LYS  53 -23.788   0.279  -8.176
  399   2HG   LYS  53          HG3       LYS  53 -22.261   0.227  -7.276
  400   1HD   LYS  53          HD2       LYS  53 -24.787   1.606  -6.270
  401   2HD   LYS  53          HD3       LYS  53 -24.363  -0.076  -5.883
  402   1HE   LYS  53          HE2       LYS  53 -22.233   0.700  -4.845
  403   2HE   LYS  53          HE3       LYS  53 -22.660   2.371  -5.209
  404   1HZ   LYS  53          HZ1       LYS  53 -23.198   1.895  -2.972
  405   2HZ   LYS  53          HZ2       LYS  53 -24.621   2.080  -3.758
  406   3HZ   LYS  53          HZ3       LYS  53 -24.100   0.579  -3.352
  407    H    GLU  54           H        GLU  54 -23.294   3.363 -11.039
  408    HA   GLU  54           HA       GLU  54 -24.294   1.071 -12.415
  409   1HB   GLU  54          HB2       GLU  54 -24.193   4.046 -13.009
  410   2HB   GLU  54          HB3       GLU  54 -24.810   2.918 -14.210
  411   1HG   GLU  54          HG2       GLU  54 -25.868   3.064 -11.363
  412   2HG   GLU  54          HG3       GLU  54 -26.533   3.990 -12.703
  413    H    VAL  55           H        VAL  55 -21.197   2.724 -12.645
  414    HA   VAL  55           HA       VAL  55 -20.504   1.490 -15.229
  415    HB   VAL  55           HB       VAL  55 -18.667   2.679 -13.103
  416   1HG1  VAL  55          HG11      VAL  55 -17.094   3.034 -14.942
  417   2HG1  VAL  55          HG12      VAL  55 -17.454   1.324 -14.755
  418   3HG1  VAL  55          HG13      VAL  55 -18.210   2.239 -16.077
  419   1HG2  VAL  55          HG21      VAL  55 -18.682   4.761 -14.331
  420   2HG2  VAL  55          HG22      VAL  55 -19.820   4.103 -15.533
  421   3HG2  VAL  55          HG23      VAL  55 -20.320   4.388 -13.848
  422    H    GLY  56           H        GLY  56 -20.472   0.730 -11.802
  423   1HA   GLY  56          HA1       GLY  56 -20.230  -1.552 -11.020
  424   2HA   GLY  56          HA2       GLY  56 -18.968  -1.818 -12.236
  425    H    ILE  57           H        ILE  57 -18.938   1.332 -10.684
  426    HA   ILE  57           HA       ILE  57 -16.495   0.551  -9.171
  427    HB   ILE  57           HB       ILE  57 -17.277   3.228 -10.373
  428   1HG1  ILE  57          HG12      ILE  57 -15.216   1.202 -11.344
  429   2HG1  ILE  57          HG13      ILE  57 -16.735   1.599 -12.148
  430   1HG2  ILE  57          HG21      ILE  57 -14.952   3.879  -9.711
  431   2HG2  ILE  57          HG22      ILE  57 -15.845   3.336  -8.300
  432   3HG2  ILE  57          HG23      ILE  57 -14.668   2.255  -9.070
  433   1HD1  ILE  57          HD11      ILE  57 -14.313   3.391 -11.837
  434   2HD1  ILE  57          HD12      ILE  57 -15.086   2.804 -13.317
  435   3HD1  ILE  57          HD13      ILE  57 -15.922   4.004 -12.326
  436    H    ASP  58           H        ASP  58 -17.340   0.073  -7.209
  437    HA   ASP  58           HA       ASP  58 -19.581   1.575  -6.088
  438   1HB   ASP  58          HB2       ASP  58 -19.488  -0.800  -5.696
  439   2HB   ASP  58          HB3       ASP  58 -17.881  -0.671  -4.962
  440    H    ILE  59           H        ILE  59 -18.665   3.721  -6.027
  441    HA   ILE  59           HA       ILE  59 -16.402   4.223  -4.289
  442    HB   ILE  59           HB       ILE  59 -16.636   6.503  -4.761
  443   1HG1  ILE  59          HG12      ILE  59 -19.226   6.164  -6.270
  444   2HG1  ILE  59          HG13      ILE  59 -19.206   6.580  -4.560
  445   1HG2  ILE  59          HG21      ILE  59 -16.423   6.572  -7.166
  446   2HG2  ILE  59          HG22      ILE  59 -15.711   5.075  -6.551
  447   3HG2  ILE  59          HG23      ILE  59 -17.311   5.046  -7.329
  448   1HD1  ILE  59          HD11      ILE  59 -17.762   8.562  -5.055
  449   2HD1  ILE  59          HD12      ILE  59 -17.976   8.252  -6.780
  450   3HD1  ILE  59          HD13      ILE  59 -19.381   8.629  -5.764
  451    H    SER  60           H        SER  60 -19.364   3.153  -3.283
  452    HA   SER  60           HA       SER  60 -20.312   5.115  -1.555
  453   1HB   SER  60          HB2       SER  60 -20.313   2.155  -0.880
  454   2HB   SER  60          HB3       SER  60 -21.478   3.390  -0.379
  455    HG   SER  60           HG       SER  60 -21.056   2.139  -2.864
  456    H    ASN  61           H        ASN  61 -17.488   3.059  -1.212
  457    HA   ASN  61           HA       ASN  61 -17.088   3.310   1.614
  458   1HB   ASN  61          HB2       ASN  61 -16.177   1.454   0.255
  459   2HB   ASN  61          HB3       ASN  61 -15.183   2.594  -0.659
  460   1HD2  ASN  61          HD22      ASN  61 -15.764   1.423   2.723
  461   2HD2  ASN  61          HD21      ASN  61 -14.112   1.637   3.236
  462    H    GLN  62           H        GLN  62 -16.467   5.536  -1.028
  463    HA   GLN  62           HA       GLN  62 -14.161   6.812   0.122
  464   1HB   GLN  62          HB2       GLN  62 -16.047   7.782  -2.058
  465   2HB   GLN  62          HB3       GLN  62 -14.477   8.476  -1.615
  466   1HG   GLN  62          HG2       GLN  62 -13.356   6.362  -2.246
  467   2HG   GLN  62          HG3       GLN  62 -14.914   5.693  -2.747
  468   1HE2  GLN  62          HE22      GLN  62 -14.849   9.035  -3.667
  469   2HE2  GLN  62          HE21      GLN  62 -14.429   8.729  -5.346
  470    H    THR  63           H        THR  63 -14.364   9.264   0.621
  471    HA   THR  63           HA       THR  63 -16.916  10.207   1.606
  472    HB   THR  63           HB       THR  63 -15.666  10.977   3.776
  473    HG1  THR  63           HG1      THR  63 -14.055   9.641   4.475
  474   1HG2  THR  63          HG21      THR  63 -16.458   9.088   5.035
  475   2HG2  THR  63          HG22      THR  63 -17.592   9.375   3.706
  476   3HG2  THR  63          HG23      THR  63 -16.428   8.035   3.605
  477    H    SER  64           H        SER  64 -16.846  12.599   1.954
  478    HA   SER  64           HA       SER  64 -14.847  13.742   0.149
  479   1HB   SER  64          HB2       SER  64 -17.553  14.778   1.060
  480   2HB   SER  64          HB3       SER  64 -16.523  15.516  -0.179
  481    HG   SER  64           HG       SER  64 -18.300  14.020  -0.842
  482    H    ASP  65           H        ASP  65 -13.956  15.796   0.512
  483    HA   ASP  65           HA       ASP  65 -13.905  16.944   3.212
  484   1HB   ASP  65          HB2       ASP  65 -12.215  15.015   3.173
  485   2HB   ASP  65          HB3       ASP  65 -11.372  15.895   1.888
  486    H    ILE  66           H        ILE  66 -12.740  19.037   3.171
  487    HA   ILE  66           HA       ILE  66 -12.751  20.257   0.478
  488    HB   ILE  66           HB       ILE  66 -12.838  22.321   1.487
  489   1HG1  ILE  66          HG12      ILE  66 -11.961  21.072   4.115
  490   2HG1  ILE  66          HG13      ILE  66 -11.071  22.231   3.106
  491   1HG2  ILE  66          HG21      ILE  66 -14.866  20.762   1.792
  492   2HG2  ILE  66          HG22      ILE  66 -14.449  20.706   3.502
  493   3HG2  ILE  66          HG23      ILE  66 -14.862  22.256   2.742
  494   1HD1  ILE  66          HD11      ILE  66 -13.579  22.730   4.724
  495   2HD1  ILE  66          HD12      ILE  66 -11.984  23.484   4.913
  496   3HD1  ILE  66          HD13      ILE  66 -12.987  23.863   3.483
  497    H    ILE  67           H        ILE  67 -10.825  21.623  -0.027
  498    HA   ILE  67           HA       ILE  67  -8.625  20.016  -0.284
  499    HB   ILE  67           HB       ILE  67  -9.228  21.881  -1.729
  500   1HG1  ILE  67          HG12      ILE  67  -6.398  21.810  -0.660
  501   2HG1  ILE  67          HG13      ILE  67  -7.106  20.935  -2.025
  502   1HG2  ILE  67          HG21      ILE  67  -8.812  24.185  -1.248
  503   2HG2  ILE  67          HG22      ILE  67  -9.833  23.556   0.031
  504   3HG2  ILE  67          HG23      ILE  67  -8.097  23.803   0.333
  505   1HD1  ILE  67          HD11      ILE  67  -7.373  23.178  -3.187
  506   2HD1  ILE  67          HD12      ILE  67  -6.491  23.914  -1.833
  507   3HD1  ILE  67          HD13      ILE  67  -5.697  22.713  -2.860
  508    H    ASP  68           H        ASP  68  -6.840  19.530   0.761
  509    HA   ASP  68           HA       ASP  68  -6.115  20.982   3.268
  510   1HB   ASP  68          HB2       ASP  68  -6.936  18.742   3.765
  511   2HB   ASP  68          HB3       ASP  68  -5.820  18.036   2.587
  512    H    SER  69           H        SER  69  -4.486  22.259   2.754
  513    HA   SER  69           HA       SER  69  -2.830  22.162   0.570
  514   1HB   SER  69          HB2       SER  69  -2.044  23.283   3.274
  515   2HB   SER  69          HB3       SER  69  -1.614  23.896   1.666
  516    HG   SER  69           HG       SER  69  -3.314  25.086   2.714
  517    H    ASP  70           H        ASP  70  -2.549  20.210   3.514
  518    HA   ASP  70           HA       ASP  70   0.286  19.763   3.270
  519   1HB   ASP  70          HB2       ASP  70  -0.850  19.470   5.418
  520   2HB   ASP  70          HB3       ASP  70  -1.846  18.177   4.735
  521    H    ILE  71           H        ILE  71  -2.631  17.975   2.186
  522    HA   ILE  71           HA       ILE  71  -1.012  15.788   1.096
  523    HB   ILE  71           HB       ILE  71  -3.946  16.495   0.670
  524   1HG1  ILE  71          HG12      ILE  71  -2.538  14.272   2.234
  525   2HG1  ILE  71          HG13      ILE  71  -3.277  15.707   2.960
  526   1HG2  ILE  71          HG21      ILE  71  -3.045  15.309  -1.322
  527   2HG2  ILE  71          HG22      ILE  71  -2.310  14.082  -0.270
  528   3HG2  ILE  71          HG23      ILE  71  -4.085  14.242  -0.411
  529   1HD1  ILE  71          HD11      ILE  71  -4.812  13.910   3.246
  530   2HD1  ILE  71          HD12      ILE  71  -5.493  14.977   1.999
  531   3HD1  ILE  71          HD13      ILE  71  -4.711  13.436   1.545
  532    H    LEU  72           H        LEU  72  -2.641  18.732  -0.130
  533    HA   LEU  72           HA       LEU  72  -2.047  18.555  -2.846
  534   1HB   LEU  72          HB2       LEU  72  -3.377  20.321  -1.663
  535   2HB   LEU  72          HB3       LEU  72  -1.874  20.962  -1.008
  536    HG   LEU  72           HG       LEU  72  -1.157  21.245  -3.513
  537   1HD1  LEU  72          HD11      LEU  72  -3.068  21.705  -5.013
  538   2HD1  LEU  72          HD12      LEU  72  -3.100  20.016  -4.475
  539   3HD1  LEU  72          HD13      LEU  72  -4.211  21.189  -3.760
  540   1HD2  LEU  72          HD21      LEU  72  -2.247  23.480  -3.534
  541   2HD2  LEU  72          HD22      LEU  72  -3.280  22.961  -2.174
  542   3HD2  LEU  72          HD23      LEU  72  -1.520  23.101  -1.973
  543    H    ASN  73           H        ASN  73   0.103  19.860  -0.230
  544    HA   ASN  73           HA       ASN  73   2.242  20.286  -2.089
  545   1HB   ASN  73          HB2       ASN  73   1.954  20.588   0.901
  546   2HB   ASN  73          HB3       ASN  73   3.550  20.622   0.166
  547   1HD2  ASN  73          HD22      ASN  73   0.387  22.276   0.143
  548   2HD2  ASN  73          HD21      ASN  73   0.912  23.654  -0.825
  549    H    ASN  74           H        ASN  74   1.208  17.366  -0.652
  550    HA   ASN  74           HA       ASN  74   3.931  16.140  -0.764
  551   1HB   ASN  74          HB2       ASN  74   1.230  15.211   0.287
  552   2HB   ASN  74          HB3       ASN  74   2.465  14.051  -0.157
  553   1HD2  ASN  74          HD22      ASN  74   1.529  16.382   2.237
  554   2HD2  ASN  74          HD21      ASN  74   2.810  16.002   3.372
  555    H    ALA  75           H        ALA  75   1.018  16.655  -2.643
  556    HA   ALA  75           HA       ALA  75   0.928  14.164  -3.902
  557   1HB   ALA  75          HB1       ALA  75  -0.666  15.167  -5.402
  558   2HB   ALA  75          HB2       ALA  75  -0.951  15.771  -3.763
  559   3HB   ALA  75          HB3       ALA  75  -0.127  16.804  -4.958
  560    H    ASP  76           H        ASP  76   1.784  13.392  -5.917
  561    HA   ASP  76           HA       ASP  76   4.132  14.761  -7.034
  562   1HB   ASP  76          HB2       ASP  76   3.889  12.281  -7.198
  563   2HB   ASP  76          HB3       ASP  76   2.434  12.496  -8.181
  564    H    LEU  77           H        LEU  77   0.666  14.521  -7.585
  565    HA   LEU  77           HA       LEU  77   0.722  16.616  -9.664
  566   1HB   LEU  77          HB2       LEU  77   0.806  14.546 -10.859
  567   2HB   LEU  77          HB3       LEU  77  -0.410  13.814  -9.811
  568    HG   LEU  77           HG       LEU  77  -2.135  15.351 -10.719
  569   1HD1  LEU  77          HD11      LEU  77  -1.796  16.638 -12.714
  570   2HD1  LEU  77          HD12      LEU  77  -0.561  17.175 -11.581
  571   3HD1  LEU  77          HD13      LEU  77  -0.137  16.064 -12.903
  572   1HD2  LEU  77          HD21      LEU  77  -0.634  13.706 -12.780
  573   2HD2  LEU  77          HD22      LEU  77  -1.768  13.067 -11.579
  574   3HD2  LEU  77          HD23      LEU  77  -2.355  14.155 -12.846
  575    H    VAL  78           H        VAL  78  -1.029  17.854  -9.686
  576    HA   VAL  78           HA       VAL  78  -3.363  17.202  -7.952
  577    HB   VAL  78           HB       VAL  78  -2.215  19.946  -8.622
  578   1HG1  VAL  78          HG11      VAL  78  -3.855  20.808  -7.005
  579   2HG1  VAL  78          HG12      VAL  78  -4.688  19.944  -8.291
  580   3HG1  VAL  78          HG13      VAL  78  -4.469  19.163  -6.710
  581   1HG2  VAL  78          HG21      VAL  78  -2.140  18.469  -5.958
  582   2HG2  VAL  78          HG22      VAL  78  -0.756  18.746  -7.020
  583   3HG2  VAL  78          HG23      VAL  78  -1.542  20.126  -6.285
  584    H    VAL  79           H        VAL  79  -5.337  17.294  -9.120
  585    HA   VAL  79           HA       VAL  79  -5.125  18.266 -11.937
  586    HB   VAL  79           HB       VAL  79  -6.829  15.894 -11.158
  587   1HG1  VAL  79          HG11      VAL  79  -5.944  17.021 -13.835
  588   2HG1  VAL  79          HG12      VAL  79  -7.001  15.608 -13.570
  589   3HG1  VAL  79          HG13      VAL  79  -7.543  17.227 -13.096
  590   1HG2  VAL  79          HG21      VAL  79  -4.530  15.140 -10.898
  591   2HG2  VAL  79          HG22      VAL  79  -5.172  14.516 -12.419
  592   3HG2  VAL  79          HG23      VAL  79  -4.070  15.909 -12.436
  593    H    THR  80           H        THR  80  -6.177  20.123 -11.972
  594    HA   THR  80           HA       THR  80  -8.412  20.596 -10.104
  595    HB   THR  80           HB       THR  80  -8.194  22.929 -10.891
  596    HG1  THR  80           HG1      THR  80  -7.362  22.386 -12.953
  597   1HG2  THR  80          HG21      THR  80  -5.895  23.362  -9.958
  598   2HG2  THR  80          HG22      THR  80  -6.841  22.260  -8.941
  599   3HG2  THR  80          HG23      THR  80  -5.559  21.636 -10.000
  600    H    LEU  81           H        LEU  81 -10.099  19.439 -10.869
  601    HA   LEU  81           HA       LEU  81 -10.401  18.709 -13.604
  602   1HB   LEU  81          HB2       LEU  81 -12.358  18.610 -11.282
  603   2HB   LEU  81          HB3       LEU  81 -12.662  17.857 -12.844
  604    HG   LEU  81           HG       LEU  81 -10.317  17.139 -11.033
  605   1HD1  LEU  81          HD11      LEU  81 -12.915  15.621 -11.489
  606   2HD1  LEU  81          HD12      LEU  81 -11.562  15.178 -10.419
  607   3HD1  LEU  81          HD13      LEU  81 -12.550  16.609 -10.064
  608   1HD2  LEU  81          HD21      LEU  81 -10.223  15.078 -12.476
  609   2HD2  LEU  81          HD22      LEU  81 -11.414  15.820 -13.562
  610   3HD2  LEU  81          HD23      LEU  81  -9.815  16.555 -13.348
  611    H    CYS  82           H        CYS  82 -11.229  21.762 -12.215
  612    HA   CYS  82           HA       CYS  82 -12.681  22.380 -14.673
  613   1HB   CYS  82          HB2       CYS  82 -14.466  21.702 -13.118
  614   2HB   CYS  82          HB3       CYS  82 -13.875  22.868 -11.909
  615    HG   CYS  82           HG       CYS  82 -15.147  23.361 -14.937
  616    H    GLY  83           H        GLY  83 -12.160  24.450 -15.336
  617   1HA   GLY  83          HA1       GLY  83  -9.708  25.424 -14.531
  618   2HA   GLY  83          HA2       GLY  83 -10.874  26.314 -15.524
  619    H    ASP  84           H        ASP  84 -12.954  26.603 -13.497
  620    HA   ASP  84           HA       ASP  84 -11.991  28.935 -12.158
  621   1HB   ASP  84          HB2       ASP  84 -14.363  28.536 -12.795
  622   2HB   ASP  84          HB3       ASP  84 -14.475  27.290 -11.545
  623    H    ALA  85           H        ALA  85 -11.995  25.538 -11.230
  624    HA   ALA  85           HA       ALA  85 -11.648  25.991  -8.381
  625   1HB   ALA  85          HB1       ALA  85 -11.344  23.649  -8.235
  626   2HB   ALA  85          HB2       ALA  85 -12.536  23.833  -9.532
  627   3HB   ALA  85          HB3       ALA  85 -10.840  23.493  -9.922
  628    H    ALA  86           H        ALA  86  -9.556  26.026 -11.218
  629    HA   ALA  86           HA       ALA  86  -7.219  25.027  -9.995
  630   1HB   ALA  86          HB1       ALA  86  -6.065  25.780 -11.988
  631   2HB   ALA  86          HB2       ALA  86  -7.650  25.143 -12.465
  632   3HB   ALA  86          HB3       ALA  86  -7.380  26.902 -12.385
  633    H    ASP  87           H        ASP  87  -8.657  28.130  -9.594
  634    HA   ASP  87           HA       ASP  87  -6.347  29.659  -8.900
  635   1HB   ASP  87          HB2       ASP  87  -8.560  30.664  -9.275
  636   2HB   ASP  87          HB3       ASP  87  -9.212  29.777  -7.891
  637    H    LYS  88           H        LYS  88  -8.221  27.179  -7.200
  638    HA   LYS  88           HA       LYS  88  -7.076  27.926  -4.597
  639   1HB   LYS  88          HB2       LYS  88  -9.522  27.289  -4.964
  640   2HB   LYS  88          HB3       LYS  88  -8.961  25.639  -5.237
  641   1HG   LYS  88          HG2       LYS  88  -9.689  25.775  -2.996
  642   2HG   LYS  88          HG3       LYS  88  -7.925  25.697  -2.929
  643   1HD   LYS  88          HD2       LYS  88  -7.783  28.099  -2.477
  644   2HD   LYS  88          HD3       LYS  88  -9.529  28.294  -2.771
  645   1HE   LYS  88          HE2       LYS  88 -10.017  26.781  -0.884
  646   2HE   LYS  88          HE3       LYS  88  -8.285  26.585  -0.575
  647   1HZ   LYS  88          HZ1       LYS  88  -9.777  29.143  -0.360
  648   2HZ   LYS  88          HZ2       LYS  88  -9.265  28.240   0.894
  649   3HZ   LYS  88          HZ3       LYS  88  -8.176  28.967  -0.075
  650    H    CYS  89           H        CYS  89  -4.892  27.506  -5.394
  651    HA   CYS  89           HA       CYS  89  -4.097  24.752  -4.612
  652   1HB   CYS  89          HB2       CYS  89  -3.230  26.205  -7.118
  653   2HB   CYS  89          HB3       CYS  89  -2.186  25.010  -6.333
  654    HG   CYS  89           HG       CYS  89  -5.362  24.319  -6.710
  655    HA   PRO  90           HA       PRO  90  -2.088  28.125  -2.121
  656   1HB   PRO  90          HB2       PRO  90  -2.236  26.871   0.314
  657   2HB   PRO  90          HB3       PRO  90  -3.565  27.838  -0.397
  658   1HG   PRO  90          HG2       PRO  90  -3.163  24.841  -0.568
  659   2HG   PRO  90          HG3       PRO  90  -4.643  25.718  -0.041
  660   1HD   PRO  90          HD2       PRO  90  -4.425  24.825  -2.558
  661   2HD   PRO  90          HD3       PRO  90  -5.080  26.457  -2.267
  662    H    MET  91           H        MET  91  -0.404  27.677  -3.339
  663    HA   MET  91           HA       MET  91   1.529  27.178  -4.110
  664   1HB   MET  91          HB2       MET  91   3.437  26.676  -2.729
  665   2HB   MET  91          HB3       MET  91   2.478  28.022  -2.121
  666   1HG   MET  91          HG2       MET  91   1.568  26.657  -0.340
  667   2HG   MET  91          HG3       MET  91   2.319  25.205  -1.011
  668   1HE   MET  91          HE1       MET  91   3.306  24.538   1.298
  669   2HE   MET  91          HE2       MET  91   4.235  25.637   2.341
  670   3HE   MET  91          HE3       MET  91   2.516  25.959   2.019
  671    H    THR  92           H        THR  92   2.279  25.766  -5.449
  672    HA   THR  92           HA       THR  92   2.305  22.877  -4.818
  673    HB   THR  92           HB       THR  92   1.490  22.480  -7.206
  674    HG1  THR  92           HG1      THR  92   1.597  24.671  -7.898
  675   1HG2  THR  92          HG21      THR  92  -0.554  23.685  -5.307
  676   2HG2  THR  92          HG22      THR  92  -0.849  22.517  -6.615
  677   3HG2  THR  92          HG23      THR  92   0.094  22.041  -5.201
  678    HA   PRO  93           HA       PRO  93   6.418  24.616  -6.078
  679   1HB   PRO  93          HB2       PRO  93   7.133  22.036  -4.668
  680   2HB   PRO  93          HB3       PRO  93   7.956  23.625  -4.582
  681   1HG   PRO  93          HG2       PRO  93   6.337  22.830  -2.573
  682   2HG   PRO  93          HG3       PRO  93   6.251  24.519  -3.176
  683   1HD   PRO  93          HD2       PRO  93   4.427  22.198  -3.827
  684   2HD   PRO  93          HD3       PRO  93   4.015  23.893  -3.438
  685    HA   PRO  94           HA       PRO  94   7.383  22.145  -9.679
  686   1HB   PRO  94          HB2       PRO  94  10.103  21.532  -8.506
  687   2HB   PRO  94          HB3       PRO  94   9.686  22.046 -10.173
  688   1HG   PRO  94          HG2       PRO  94  10.638  23.858  -8.406
  689   2HG   PRO  94          HG3       PRO  94   9.238  24.284  -9.444
  690   1HD   PRO  94          HD2       PRO  94   9.237  23.401  -6.554
  691   2HD   PRO  94          HD3       PRO  94   8.299  24.709  -7.337
  692    H    HIS  95           H        HIS  95   8.105  20.567  -6.577
  693    HA   HIS  95           HA       HIS  95   8.179  17.853  -7.453
  694   1HB   HIS  95          HB2       HIS  95   8.972  18.744  -5.261
  695   2HB   HIS  95          HB3       HIS  95   7.305  19.075  -4.800
  696    HD1  HIS  95           HD1      HIS  95   9.621  16.040  -5.483
  697    HD2  HIS  95           HD2      HIS  95   5.939  17.088  -3.722
  698    HE1  HIS  95           HE1      HIS  95   8.816  13.979  -4.223
  699    H    VAL  96           H        VAL  96   5.568  20.072  -7.428
  700    HA   VAL  96           HA       VAL  96   3.444  17.998  -7.322
  701    HB   VAL  96           HB       VAL  96   3.327  20.881  -6.320
  702   1HG1  VAL  96          HG11      VAL  96   1.262  20.121  -5.223
  703   2HG1  VAL  96          HG12      VAL  96   1.180  19.935  -6.980
  704   3HG1  VAL  96          HG13      VAL  96   1.457  18.518  -5.947
  705   1HG2  VAL  96          HG21      VAL  96   3.818  18.417  -4.625
  706   2HG2  VAL  96          HG22      VAL  96   4.880  19.825  -4.818
  707   3HG2  VAL  96          HG23      VAL  96   3.325  20.005  -4.017
  708    H    LYS  97           H        LYS  97   3.510  17.817  -9.628
  709    HA   LYS  97           HA       LYS  97   3.363  20.209 -11.292
  710   1HB   LYS  97          HB2       LYS  97   3.426  18.783 -13.129
  711   2HB   LYS  97          HB3       LYS  97   4.416  17.969 -11.928
  712   1HG   LYS  97          HG2       LYS  97   2.075  16.714 -11.428
  713   2HG   LYS  97          HG3       LYS  97   1.772  17.213 -13.105
  714   1HD   LYS  97          HD2       LYS  97   3.977  16.107 -13.728
  715   2HD   LYS  97          HD3       LYS  97   4.090  15.553 -12.045
  716   1HE   LYS  97          HE2       LYS  97   1.678  14.558 -12.525
  717   2HE   LYS  97          HE3       LYS  97   2.138  14.700 -14.220
  718   1HZ   LYS  97          HZ1       LYS  97   2.732  12.534 -13.357
  719   2HZ   LYS  97          HZ2       LYS  97   4.136  13.332 -13.599
  720   3HZ   LYS  97          HZ3       LYS  97   3.525  13.168 -12.071
  721    H    ARG  98           H        ARG  98   1.400  20.438 -12.778
  722    HA   ARG  98           HA       ARG  98  -1.109  19.665 -11.406
  723   1HB   ARG  98          HB2       ARG  98  -0.605  22.470 -12.464
  724   2HB   ARG  98          HB3       ARG  98  -2.120  21.825 -11.825
  725   1HG   ARG  98          HG2       ARG  98  -0.746  21.350  -9.644
  726   2HG   ARG  98          HG3       ARG  98   0.415  22.503 -10.305
  727   1HD   ARG  98          HD2       ARG  98  -2.551  22.995  -9.786
  728   2HD   ARG  98          HD3       ARG  98  -1.229  23.557  -8.761
  729    HE   ARG  98           HE       ARG  98  -0.539  24.683 -11.110
  730   1HH1  ARG  98          HH11      ARG  98  -3.557  24.724  -9.255
  731   2HH1  ARG  98          HH12      ARG  98  -4.119  26.230  -9.878
  732   1HH2  ARG  98          HH21      ARG  98  -1.260  26.717 -11.957
  733   2HH2  ARG  98          HH22      ARG  98  -2.756  27.394 -11.439
  734    H    GLU  99           H        GLU  99  -2.942  19.572 -12.770
  735    HA   GLU  99           HA       GLU  99  -2.574  19.925 -15.650
  736   1HB   GLU  99          HB2       GLU  99  -2.018  17.533 -15.128
  737   2HB   GLU  99          HB3       GLU  99  -3.600  17.341 -14.371
  738   1HG   GLU  99          HG2       GLU  99  -3.442  16.397 -16.646
  739   2HG   GLU  99          HG3       GLU  99  -4.721  17.604 -16.477
  740    H    HIS 100           H        HIS 100  -4.779  20.135 -16.677
  741    HA   HIS 100           HA       HIS 100  -6.824  21.034 -14.701
  742   1HB   HIS 100          HB2       HIS 100  -5.971  22.780 -17.022
  743   2HB   HIS 100          HB3       HIS 100  -6.928  23.217 -15.616
  744    HD1  HIS 100           HD1      HIS 100  -5.205  22.948 -13.192
  745    HD2  HIS 100           HD2      HIS 100  -3.568  23.676 -17.002
  746    HE1  HIS 100           HE1      HIS 100  -2.883  23.928 -12.806
  747    H    TRP 101           H        TRP 101  -8.933  20.946 -15.436
  748    HA   TRP 101           HA       TRP 101  -9.509  20.416 -18.293
  749   1HB   TRP 101          HB2       TRP 101 -10.630  18.725 -16.068
  750   2HB   TRP 101          HB3       TRP 101 -10.878  18.548 -17.809
  751    HD1  TRP 101           HD1      TRP 101  -8.671  17.521 -15.020
  752    HE1  TRP 101           HE1      TRP 101  -6.684  16.120 -15.792
  753    HE3  TRP 101           HE3      TRP 101  -9.073  18.278 -20.067
  754    HZ2  TRP 101           HZ2      TRP 101  -5.498  15.293 -18.293
  755    HZ3  TRP 101           HZ3      TRP 101  -7.496  17.161 -21.621
  756    HH2  TRP 101           HH2      TRP 101  -5.720  15.646 -20.744
  757    H    GLY 102           H        GLY 102 -12.288  20.157 -18.057
  758   1HA   GLY 102          HA1       GLY 102 -13.123  22.762 -16.844
  759   2HA   GLY 102          HA2       GLY 102 -13.359  22.395 -18.551
  760    H    PHE 103           H        PHE 103 -13.804  20.260 -15.671
  761    HA   PHE 103           HA       PHE 103 -16.313  19.321 -16.747
  762   1HB   PHE 103          HB2       PHE 103 -14.729  18.613 -14.269
  763   2HB   PHE 103          HB3       PHE 103 -16.303  17.919 -14.638
  764    HD1  PHE 103           HD1      PHE 103 -12.754  18.010 -15.697
  765    HD2  PHE 103           HD2      PHE 103 -16.674  16.467 -16.578
  766    HE1  PHE 103           HE1      PHE 103 -11.755  16.512 -17.365
  767    HE2  PHE 103           HE2      PHE 103 -15.672  14.880 -18.175
  768    HZ   PHE 103           HZ       PHE 103 -13.225  14.889 -18.601
  769    H    ASP 104           H        ASP 104 -17.911  20.714 -16.742
  770    HA   ASP 104           HA       ASP 104 -18.736  22.442 -14.618
  771   1HB   ASP 104          HB2       ASP 104 -19.459  22.612 -17.008
  772   2HB   ASP 104          HB3       ASP 104 -20.369  21.109 -16.806
  773    H    ASP 105           H        ASP 105 -20.768  22.118 -13.345
  774    HA   ASP 105           HA       ASP 105 -20.290  19.715 -11.833
  775   1HB   ASP 105          HB2       ASP 105 -20.702  22.009 -10.870
  776   2HB   ASP 105          HB3       ASP 105 -22.416  21.788 -11.254
  777    HA   PRO 106           HA       PRO 106 -23.675  17.516 -13.807
  778   1HB   PRO 106          HB2       PRO 106 -23.453  15.090 -12.535
  779   2HB   PRO 106          HB3       PRO 106 -22.245  15.651 -13.725
  780   1HG   PRO 106          HG2       PRO 106 -22.127  15.851 -10.690
  781   2HG   PRO 106          HG3       PRO 106 -20.865  15.231 -11.807
  782   1HD   PRO 106          HD2       PRO 106 -20.889  17.786 -10.853
  783   2HD   PRO 106          HD3       PRO 106 -20.310  17.414 -12.511
  784    H    ALA 107           H        ALA 107 -23.351  17.497 -10.212
  785    HA   ALA 107           HA       ALA 107 -25.983  16.493  -9.746
  786   1HB   ALA 107          HB1       ALA 107 -25.518  17.158  -7.398
  787   2HB   ALA 107          HB2       ALA 107 -24.183  16.230  -8.110
  788   3HB   ALA 107          HB3       ALA 107 -24.040  17.990  -7.930
  789    H    ARG 108           H        ARG 108 -24.628  19.721 -10.155
  790    HA   ARG 108           HA       ARG 108 -27.255  20.989  -9.627
  791   1HB   ARG 108          HB2       ARG 108 -24.364  21.951  -9.740
  792   2HB   ARG 108          HB3       ARG 108 -25.715  23.077  -9.785
  793   1HG   ARG 108          HG2       ARG 108 -25.073  22.969  -7.540
  794   2HG   ARG 108          HG3       ARG 108 -26.607  22.115  -7.703
  795   1HD   ARG 108          HD2       ARG 108 -25.324  20.865  -6.152
  796   2HD   ARG 108          HD3       ARG 108 -25.315  19.938  -7.633
  797    HE   ARG 108           HE       ARG 108 -23.079  20.379  -8.007
  798   1HH1  ARG 108          HH21      ARG 108 -24.139  21.980  -5.001
  799   2HH1  ARG 108          HH22      ARG 108 -22.539  22.215  -4.405
  800   1HH2  ARG 108          HH11      ARG 108 -21.003  20.757  -7.279
  801   2HH2  ARG 108          HH12      ARG 108 -20.691  21.488  -5.724
  802    H    ALA 109           H        ALA 109 -26.148  19.497 -12.241
  803    HA   ALA 109           HA       ALA 109 -25.976  21.339 -14.289
  804   1HB   ALA 109          HB1       ALA 109 -27.273  18.573 -14.380
  805   2HB   ALA 109          HB2       ALA 109 -26.733  19.498 -15.794
  806   3HB   ALA 109          HB3       ALA 109 -25.543  18.942 -14.604
  807    H    GLN 110           H        GLN 110 -28.916  19.971 -12.914
  808    HA   GLN 110           HA       GLN 110 -31.109  20.435 -13.000
  809   1HB   GLN 110          HB2       GLN 110 -30.054  23.236 -13.484
  810   2HB   GLN 110          HB3       GLN 110 -31.744  22.884 -13.141
  811   1HG   GLN 110          HG2       GLN 110 -31.307  22.105 -10.954
  812   2HG   GLN 110          HG3       GLN 110 -29.579  21.929 -11.241
  813   1HE2  GLN 110          HE22      GLN 110 -28.230  23.815 -11.416
  814   2HE2  GLN 110          HE21      GLN 110 -28.740  25.348 -10.725
  815    H    GLY 111           H        GLY 111 -32.880  21.755 -14.395
  816   1HA   GLY 111          HA1       GLY 111 -33.408  22.460 -16.698
  817   2HA   GLY 111          HA2       GLY 111 -32.522  21.040 -17.280
  818    H    THR 112           H        THR 112 -33.229  18.925 -16.157
  819    HA   THR 112           HA       THR 112 -35.771  18.671 -14.947
  820    HB   THR 112           HB       THR 112 -36.667  18.889 -17.199
  821    HG1  THR 112           HG1      THR 112 -37.781  17.413 -16.112
  822   1HG2  THR 112          HG21      THR 112 -36.131  17.261 -18.996
  823   2HG2  THR 112          HG22      THR 112 -34.797  18.357 -18.625
  824   3HG2  THR 112          HG23      THR 112 -34.757  16.681 -18.033
  825    H    GLU 113           H        GLU 113 -35.986  16.290 -14.286
  826    HA   GLU 113           HA       GLU 113 -33.549  15.551 -13.110
  827   1HB   GLU 113          HB2       GLU 113 -35.706  14.932 -12.182
  828   2HB   GLU 113          HB3       GLU 113 -36.086  13.932 -13.595
  829   1HG   GLU 113          HG2       GLU 113 -34.278  12.388 -13.067
  830   2HG   GLU 113          HG3       GLU 113 -33.712  13.431 -11.753
  831    H    GLU 114           H        GLU 114 -35.057  14.334 -16.088
  832    HA   GLU 114           HA       GLU 114 -33.095  12.294 -16.500
  833   1HB   GLU 114          HB2       GLU 114 -34.034  12.044 -18.729
  834   2HB   GLU 114          HB3       GLU 114 -35.298  12.118 -17.503
  835   1HG   GLU 114          HG2       GLU 114 -35.747  14.485 -18.099
  836   2HG   GLU 114          HG3       GLU 114 -34.474  14.422 -19.324
  837    H    GLU 115           H        GLU 115 -33.115  15.751 -17.189
  838    HA   GLU 115           HA       GLU 115 -30.925  15.646 -19.064
  839   1HB   GLU 115          HB2       GLU 115 -32.612  17.509 -18.989
  840   2HB   GLU 115          HB3       GLU 115 -31.933  18.007 -17.437
  841   1HG   GLU 115          HG2       GLU 115 -31.002  19.422 -19.085
  842   2HG   GLU 115          HG3       GLU 115 -29.712  18.345 -18.577
  843    H    LYS 116           H        LYS 116 -31.378  16.225 -15.535
  844    HA   LYS 116           HA       LYS 116 -28.642  16.672 -14.915
  845   1HB   LYS 116          HB2       LYS 116 -30.711  15.262 -13.161
  846   2HB   LYS 116          HB3       LYS 116 -29.166  15.936 -12.649
  847   1HG   LYS 116          HG2       LYS 116 -29.981  18.196 -13.446
  848   2HG   LYS 116          HG3       LYS 116 -31.553  17.449 -13.746
  849   1HD   LYS 116          HD2       LYS 116 -31.708  18.485 -11.614
  850   2HD   LYS 116          HD3       LYS 116 -31.633  16.726 -11.354
  851   1HE   LYS 116          HE2       LYS 116 -29.189  16.940 -10.836
  852   2HE   LYS 116          HE3       LYS 116 -29.283  18.676 -11.108
  853   1HZ   LYS 116          HZ1       LYS 116 -30.653  17.195  -8.941
  854   2HZ   LYS 116          HZ2       LYS 116 -29.359  18.197  -8.809
  855   3HZ   LYS 116          HZ3       LYS 116 -30.825  18.802  -9.213
  856    H    TRP 117           H        TRP 117 -30.544  13.653 -14.815
  857    HA   TRP 117           HA       TRP 117 -28.369  11.964 -14.198
  858   1HB   TRP 117          HB2       TRP 117 -30.719  11.213 -14.108
  859   2HB   TRP 117          HB3       TRP 117 -30.806  11.252 -15.872
  860    HD1  TRP 117           HD1      TRP 117 -29.546   9.325 -17.204
  861    HE1  TRP 117           HE1      TRP 117 -28.542   7.056 -16.546
  862    HE3  TRP 117           HE3      TRP 117 -29.411   9.932 -12.128
  863    HZ2  TRP 117           HZ2      TRP 117 -27.506   5.817 -14.185
  864    HZ3  TRP 117           HZ3      TRP 117 -28.250   8.268 -10.710
  865    HH2  TRP 117           HH2      TRP 117 -27.284   6.204 -11.724
  866    H    ALA 118           H        ALA 118 -29.544  13.077 -17.417
  867    HA   ALA 118           HA       ALA 118 -27.715  11.526 -18.934
  868   1HB   ALA 118          HB1       ALA 118 -28.097  13.193 -20.729
  869   2HB   ALA 118          HB2       ALA 118 -29.615  12.690 -19.960
  870   3HB   ALA 118          HB3       ALA 118 -28.895  14.266 -19.566
  871    H    PHE 119           H        PHE 119 -27.346  14.738 -17.381
  872    HA   PHE 119           HA       PHE 119 -24.717  15.234 -18.327
  873   1HB   PHE 119          HB2       PHE 119 -26.558  16.717 -17.006
  874   2HB   PHE 119          HB3       PHE 119 -25.545  16.287 -15.644
  875    HD1  PHE 119           HD1      PHE 119 -25.955  18.387 -18.565
  876    HD2  PHE 119           HD2      PHE 119 -23.014  16.853 -15.812
  877    HE1  PHE 119           HE1      PHE 119 -24.390  20.194 -19.225
  878    HE2  PHE 119           HE2      PHE 119 -21.460  18.681 -16.452
  879    HZ   PHE 119           HZ       PHE 119 -22.143  20.346 -18.174
  880    H    PHE 120           H        PHE 120 -25.920  13.477 -15.400
  881    HA   PHE 120           HA       PHE 120 -23.403  13.011 -14.174
  882   1HB   PHE 120          HB2       PHE 120 -25.627  10.955 -14.272
  883   2HB   PHE 120          HB3       PHE 120 -24.342  11.095 -13.108
  884    HD1  PHE 120           HD1      PHE 120 -25.411  14.441 -13.218
  885    HD2  PHE 120           HD2      PHE 120 -26.783  10.516 -12.078
  886    HE1  PHE 120           HE1      PHE 120 -27.035  15.451 -11.675
  887    HE2  PHE 120           HE2      PHE 120 -28.462  11.552 -10.574
  888    HZ   PHE 120           HZ       PHE 120 -28.592  14.025 -10.367
  889    H    GLN 121           H        GLN 121 -25.222  11.138 -16.667
  890    HA   GLN 121           HA       GLN 121 -23.323   9.070 -16.965
  891   1HB   GLN 121          HB2       GLN 121 -25.332  10.154 -18.979
  892   2HB   GLN 121          HB3       GLN 121 -24.423   8.665 -19.186
  893   1HG   GLN 121          HG2       GLN 121 -26.386   9.187 -16.913
  894   2HG   GLN 121          HG3       GLN 121 -26.749   8.306 -18.386
  895   1HE2  GLN 121          HE22      GLN 121 -25.492   8.049 -15.181
  896   2HE2  GLN 121          HE21      GLN 121 -24.928   6.400 -15.295
  897    H    ARG 122           H        ARG 122 -23.593  12.180 -18.722
  898    HA   ARG 122           HA       ARG 122 -21.378  11.646 -20.471
  899   1HB   ARG 122          HB2       ARG 122 -22.844  14.173 -19.643
  900   2HB   ARG 122          HB3       ARG 122 -21.281  14.306 -20.436
  901   1HG   ARG 122          HG2       ARG 122 -22.878  14.484 -22.153
  902   2HG   ARG 122          HG3       ARG 122 -22.106  12.903 -22.329
  903   1HD   ARG 122          HD2       ARG 122 -24.083  11.881 -21.149
  904   2HD   ARG 122          HD3       ARG 122 -24.836  13.495 -21.126
  905    HE   ARG 122           HE       ARG 122 -24.201  13.034 -23.781
  906   1HH1  ARG 122          HH21      ARG 122 -26.177  11.415 -21.333
  907   2HH1  ARG 122          HH22      ARG 122 -27.320  10.766 -22.457
  908   1HH2  ARG 122          HH12      ARG 122 -25.722  12.185 -25.301
  909   2HH2  ARG 122          HH11      ARG 122 -27.052  11.229 -24.769
  910    H    VAL 123           H        VAL 123 -21.540  13.468 -17.345
  911    HA   VAL 123           HA       VAL 123 -18.784  14.118 -17.421
  912    HB   VAL 123           HB       VAL 123 -20.805  14.029 -15.153
  913   1HG1  VAL 123          HG11      VAL 123 -19.196  15.384 -13.810
  914   2HG1  VAL 123          HG12      VAL 123 -18.636  13.727 -14.050
  915   3HG1  VAL 123          HG13      VAL 123 -17.930  15.044 -15.008
  916   1HG2  VAL 123          HG21      VAL 123 -21.083  15.773 -16.931
  917   2HG2  VAL 123          HG22      VAL 123 -20.637  16.501 -15.378
  918   3HG2  VAL 123          HG23      VAL 123 -19.423  16.320 -16.651
  919    H    ARG 124           H        ARG 124 -20.374  11.208 -15.819
  920    HA   ARG 124           HA       ARG 124 -17.854  10.346 -14.834
  921   1HB   ARG 124          HB2       ARG 124 -18.794   8.140 -14.500
  922   2HB   ARG 124          HB3       ARG 124 -20.029   9.338 -14.077
  923   1HG   ARG 124          HG2       ARG 124 -20.981   8.937 -16.404
  924   2HG   ARG 124          HG3       ARG 124 -19.839   7.579 -16.539
  925   1HD   ARG 124          HD2       ARG 124 -20.972   6.953 -14.201
  926   2HD   ARG 124          HD3       ARG 124 -22.315   7.883 -14.863
  927    HE   ARG 124           HE       ARG 124 -21.999   5.295 -15.250
  928   1HH1  ARG 124          HH21      ARG 124 -21.639   7.768 -17.879
  929   2HH1  ARG 124          HH22      ARG 124 -22.091   6.632 -19.084
  930   1HH2  ARG 124          HH11      ARG 124 -22.514   3.886 -16.921
  931   2HH2  ARG 124          HH12      ARG 124 -22.590   4.433 -18.545
  932    H    ASP 125           H        ASP 125 -19.403   9.750 -18.002
  933    HA   ASP 125           HA       ASP 125 -17.497   7.831 -18.874
  934   1HB   ASP 125          HB2       ASP 125 -19.641   8.170 -20.028
  935   2HB   ASP 125          HB3       ASP 125 -19.140   9.787 -20.531
  936    H    GLU 126           H        GLU 126 -17.603  11.412 -19.156
  937    HA   GLU 126           HA       GLU 126 -15.182  11.449 -20.678
  938   1HB   GLU 126          HB2       GLU 126 -16.950  13.590 -19.498
  939   2HB   GLU 126          HB3       GLU 126 -15.434  13.994 -20.313
  940   1HG   GLU 126          HG2       GLU 126 -17.581  12.314 -21.664
  941   2HG   GLU 126          HG3       GLU 126 -17.587  14.074 -21.690
  942    H    ILE 127           H        ILE 127 -15.837  11.752 -17.179
  943    HA   ILE 127           HA       ILE 127 -13.159  12.633 -16.563
  944    HB   ILE 127           HB       ILE 127 -15.488  12.218 -15.071
  945   1HG1  ILE 127          HG12      ILE 127 -14.068  12.745 -13.040
  946   2HG1  ILE 127          HG13      ILE 127 -12.660  12.753 -14.117
  947   1HG2  ILE 127          HG21      ILE 127 -15.042  10.740 -13.256
  948   2HG2  ILE 127          HG22      ILE 127 -15.119   9.877 -14.789
  949   3HG2  ILE 127          HG23      ILE 127 -13.537  10.185 -14.021
  950   1HD1  ILE 127          HD11      ILE 127 -13.685  14.558 -15.409
  951   2HD1  ILE 127          HD12      ILE 127 -15.191  14.431 -14.466
  952   3HD1  ILE 127          HD13      ILE 127 -13.697  15.012 -13.694
  953    H    GLY 128           H        GLY 128 -14.753   9.438 -16.981
  954   1HA   GLY 128          HA1       GLY 128 -12.552   7.791 -16.419
  955   2HA   GLY 128          HA2       GLY 128 -13.930   7.388 -17.468
  956    H    ASN 129           H        ASN 129 -13.688   9.107 -19.582
  957    HA   ASN 129           HA       ASN 129 -11.639   8.032 -21.201
  958   1HB   ASN 129          HB2       ASN 129 -13.040  10.714 -21.519
  959   2HB   ASN 129          HB3       ASN 129 -12.097   9.912 -22.766
  960   1HD2  ASN 129          HD22      ASN 129 -14.931  10.756 -22.763
  961   2HD2  ASN 129          HD21      ASN 129 -15.940   9.319 -22.853
  962    H    ARG 130           H        ARG 130 -11.700  11.066 -19.296
  963    HA   ARG 130           HA       ARG 130  -9.226  12.068 -20.307
  964   1HB   ARG 130          HB2       ARG 130 -11.182  12.961 -18.410
  965   2HB   ARG 130          HB3       ARG 130  -9.718  12.771 -17.481
  966   1HG   ARG 130          HG2       ARG 130  -9.659  14.970 -18.174
  967   2HG   ARG 130          HG3       ARG 130  -8.536  14.180 -19.277
  968   1HD   ARG 130          HD2       ARG 130 -11.442  14.933 -19.874
  969   2HD   ARG 130          HD3       ARG 130 -10.039  15.817 -20.419
  970    HE   ARG 130           HE       ARG 130  -9.396  13.949 -21.834
  971   1HH1  ARG 130          HH21      ARG 130 -12.742  13.677 -20.641
  972   2HH1  ARG 130          HH22      ARG 130 -13.374  13.112 -22.150
  973   1HH2  ARG 130          HH11      ARG 130 -10.133  12.726 -23.568
  974   2HH2  ARG 130          HH12      ARG 130 -11.844  12.508 -23.839
  975    H    LEU 131           H        LEU 131 -10.005  10.072 -17.482
  976    HA   LEU 131           HA       LEU 131  -7.285   9.966 -16.573
  977   1HB   LEU 131          HB2       LEU 131  -9.754   8.321 -15.910
  978   2HB   LEU 131          HB3       LEU 131  -8.230   8.178 -15.023
  979    HG   LEU 131           HG       LEU 131  -9.616  10.888 -15.368
  980   1HD1  LEU 131          HD11      LEU 131 -11.232   9.432 -14.367
  981   2HD1  LEU 131          HD12      LEU 131 -10.051   8.895 -13.144
  982   3HD1  LEU 131          HD13      LEU 131 -10.615  10.582 -13.175
  983   1HD2  LEU 131          HD21      LEU 131  -7.293  11.043 -14.697
  984   2HD2  LEU 131          HD22      LEU 131  -8.353  11.453 -13.355
  985   3HD2  LEU 131          HD23      LEU 131  -7.550   9.860 -13.398
  986    H    LYS 132           H        LYS 132  -9.250   7.828 -18.648
  987    HA   LYS 132           HA       LYS 132  -7.301   5.816 -19.023
  988   1HB   LYS 132          HB2       LYS 132  -9.473   5.365 -19.751
  989   2HB   LYS 132          HB3       LYS 132  -9.652   6.877 -20.602
  990   1HG   LYS 132          HG2       LYS 132  -7.603   4.927 -21.661
  991   2HG   LYS 132          HG3       LYS 132  -9.319   4.538 -21.825
  992   1HD   LYS 132          HD2       LYS 132  -9.619   6.891 -22.860
  993   2HD   LYS 132          HD3       LYS 132  -7.846   6.914 -23.005
  994   1HE   LYS 132          HE2       LYS 132  -7.972   4.735 -24.247
  995   2HE   LYS 132          HE3       LYS 132  -9.737   4.816 -24.137
  996   1HZ   LYS 132          HZ1       LYS 132  -8.952   5.635 -26.260
  997   2HZ   LYS 132          HZ2       LYS 132  -9.666   6.852 -25.453
  998   3HZ   LYS 132          HZ3       LYS 132  -8.032   6.780 -25.562
  999    H    GLU 133           H        GLU 133  -7.797   8.845 -20.915
 1000    HA   GLU 133           HA       GLU 133  -5.501   8.376 -22.582
 1001   1HB   GLU 133          HB2       GLU 133  -6.856  10.969 -21.720
 1002   2HB   GLU 133          HB3       GLU 133  -5.505  10.885 -22.865
 1003   1HG   GLU 133          HG2       GLU 133  -6.836   9.432 -24.357
 1004   2HG   GLU 133          HG3       GLU 133  -8.223   9.569 -23.276
 1005    H    PHE 134           H        PHE 134  -5.826  10.272 -19.532
 1006    HA   PHE 134           HA       PHE 134  -3.161  11.094 -19.380
 1007   1HB   PHE 134          HB2       PHE 134  -4.827  12.024 -17.978
 1008   2HB   PHE 134          HB3       PHE 134  -5.291  10.446 -17.345
 1009    HD1  PHE 134           HD1      PHE 134  -2.789  13.157 -17.116
 1010    HD2  PHE 134           HD2      PHE 134  -4.122   9.358 -15.576
 1011    HE1  PHE 134           HE1      PHE 134  -1.245  13.395 -15.191
 1012    HE2  PHE 134           HE2      PHE 134  -2.603   9.622 -13.618
 1013    HZ   PHE 134           HZ       PHE 134  -1.162  11.622 -13.447
 1014    H    ALA 135           H        ALA 135  -4.596   7.990 -18.393
 1015    HA   ALA 135           HA       ALA 135  -2.194   6.965 -17.208
 1016   1HB   ALA 135          HB1       ALA 135  -4.417   6.137 -16.578
 1017   2HB   ALA 135          HB2       ALA 135  -4.661   5.496 -18.218
 1018   3HB   ALA 135          HB3       ALA 135  -3.395   4.816 -17.176
 1019    H    GLU 136           H        GLU 136  -3.756   6.501 -20.380
 1020    HA   GLU 136           HA       GLU 136  -1.901   4.528 -21.305
 1021   1HB   GLU 136          HB2       GLU 136  -4.026   6.207 -22.674
 1022   2HB   GLU 136          HB3       GLU 136  -3.038   5.052 -23.558
 1023   1HG   GLU 136          HG2       GLU 136  -4.765   4.277 -21.165
 1024   2HG   GLU 136          HG3       GLU 136  -5.292   4.190 -22.842
 1025    H    THR 137           H        THR 137  -2.177   8.023 -21.782
 1026    HA   THR 137           HA       THR 137  -0.021   8.059 -23.677
 1027    HB   THR 137           HB       THR 137  -0.511  10.390 -23.898
 1028    HG1  THR 137           HG1      THR 137  -2.447  10.064 -21.871
 1029   1HG2  THR 137          HG21      THR 137  -1.943   8.835 -25.123
 1030   2HG2  THR 137          HG22      THR 137  -3.047   8.678 -23.754
 1031   3HG2  THR 137          HG23      THR 137  -2.895  10.239 -24.593
 1032    H    GLY 138           H        GLY 138  -0.451   8.476 -20.227
 1033   1HA   GLY 138          HA1       GLY 138   0.915   9.031 -18.512
 1034   2HA   GLY 138          HA2       GLY 138   2.331   8.789 -19.567
 1035    H    LYS 139           H        LYS 139  -0.494  10.955 -19.826
 1036    HA   LYS 139           HA       LYS 139   0.682  13.110 -21.008
 1037   1HB   LYS 139          HB2       LYS 139  -1.802  12.656 -20.459
 1038   2HB   LYS 139          HB3       LYS 139  -1.469  13.400 -18.899
 1039   1HG   LYS 139          HG2       LYS 139  -2.437  15.056 -20.342
 1040   2HG   LYS 139          HG3       LYS 139  -0.754  15.481 -20.035
 1041   1HD   LYS 139          HD2       LYS 139  -1.413  15.912 -22.361
 1042   2HD   LYS 139          HD3       LYS 139  -0.101  14.737 -22.275
 1043   1HE   LYS 139          HE2       LYS 139  -1.724  12.885 -22.598
 1044   2HE   LYS 139          HE3       LYS 139  -3.058  14.046 -22.622
 1045   1HZ   LYS 139          HZ1       LYS 139  -0.858  13.933 -24.608
 1046   2HZ   LYS 139          HZ2       LYS 139  -2.385  13.418 -24.852
 1047   3HZ   LYS 139          HZ3       LYS 139  -2.092  15.005 -24.634
  Start of MODEL   13
    1   1H    MET   1           H1       MET   1   3.658  -1.545   0.455
    2   2H    MET   1           H2       MET   1   2.398  -0.770  -0.250
    3   3H    MET   1           H3       MET   1   3.608  -1.361  -1.177
    4    HA   MET   1           HA       MET   1   3.839   0.819   0.772
    5   1HB   MET   1          HB2       MET   1   5.902  -0.600   0.555
    6   2HB   MET   1          HB3       MET   1   5.967  -0.196  -1.166
    7   1HG   MET   1          HG2       MET   1   6.185   2.205  -0.576
    8   2HG   MET   1          HG3       MET   1   6.071   1.797   1.138
    9   1HE   MET   1          HE1       MET   1   9.778   3.002   0.701
   10   2HE   MET   1          HE2       MET   1   8.348   3.609  -0.163
   11   3HE   MET   1          HE3       MET   1   8.247   3.235   1.574
   12    H    GLU   2           H        GLU   2   3.368   2.821   0.009
   13    HA   GLU   2           HA       GLU   2   2.137   3.156  -2.583
   14   1HB   GLU   2          HB2       GLU   2   2.066   5.551  -1.935
   15   2HB   GLU   2          HB3       GLU   2   1.310   4.462  -0.788
   16   1HG   GLU   2          HG2       GLU   2   4.168   5.334  -0.308
   17   2HG   GLU   2          HG3       GLU   2   2.854   6.463  -0.008
   18    H    ASN   3           H        ASN   3   2.843   4.987  -4.065
   19    HA   ASN   3           HA       ASN   3   5.779   5.142  -4.408
   20   1HB   ASN   3          HB2       ASN   3   5.358   3.155  -5.580
   21   2HB   ASN   3          HB3       ASN   3   3.880   3.768  -6.295
   22   1HD2  ASN   3          HD22      ASN   3   3.975   4.890  -8.223
   23   2HD2  ASN   3          HD21      ASN   3   5.489   5.203  -9.082
   24    H    LYS   4           H        LYS   4   2.575   6.212  -5.596
   25    HA   LYS   4           HA       LYS   4   3.694   8.969  -5.805
   26   1HB   LYS   4          HB2       LYS   4   2.051   7.486  -7.900
   27   2HB   LYS   4          HB3       LYS   4   2.049   9.246  -7.811
   28   1HG   LYS   4          HG2       LYS   4   4.460   9.360  -8.119
   29   2HG   LYS   4          HG3       LYS   4   4.583   7.602  -8.157
   30   1HD   LYS   4          HD2       LYS   4   3.069   9.303 -10.184
   31   2HD   LYS   4          HD3       LYS   4   4.682   8.593 -10.398
   32   1HE   LYS   4          HE2       LYS   4   3.623   6.319  -9.952
   33   2HE   LYS   4          HE3       LYS   4   2.046   7.105 -10.042
   34   1HZ   LYS   4          HZ1       LYS   4   2.829   6.051 -12.135
   35   2HZ   LYS   4          HZ2       LYS   4   2.472   7.650 -12.319
   36   3HZ   LYS   4          HZ3       LYS   4   4.034   7.145 -12.246
   37    H    ILE   5           H        ILE   5   1.890  10.600  -5.823
   38    HA   ILE   5           HA       ILE   5  -0.629   9.686  -4.559
   39    HB   ILE   5           HB       ILE   5   1.200  11.947  -3.595
   40   1HG1  ILE   5          HG12      ILE   5  -0.222   9.749  -2.042
   41   2HG1  ILE   5          HG13      ILE   5   1.431   9.604  -2.643
   42   1HG2  ILE   5          HG21      ILE   5  -1.088  12.895  -3.846
   43   2HG2  ILE   5          HG22      ILE   5  -1.759  11.529  -2.946
   44   3HG2  ILE   5          HG23      ILE   5  -0.686  12.711  -2.152
   45   1HD1  ILE   5          HD11      ILE   5   0.460  11.632  -0.596
   46   2HD1  ILE   5          HD12      ILE   5   1.503  10.229  -0.324
   47   3HD1  ILE   5          HD13      ILE   5   2.094  11.582  -1.306
   48    H    ILE   6           H        ILE   6  -2.335  10.499  -5.672
   49    HA   ILE   6           HA       ILE   6  -1.905  12.821  -7.471
   50    HB   ILE   6           HB       ILE   6  -2.011  11.043  -8.965
   51   1HG1  ILE   6          HG12      ILE   6  -4.827  12.198  -8.770
   52   2HG1  ILE   6          HG13      ILE   6  -3.424  12.975  -9.507
   53   1HG2  ILE   6          HG21      ILE   6  -4.418   9.898  -7.505
   54   2HG2  ILE   6          HG22      ILE   6  -3.692   9.244  -8.989
   55   3HG2  ILE   6          HG23      ILE   6  -2.779   9.218  -7.497
   56   1HD1  ILE   6          HD11      ILE   6  -3.315  10.996 -11.124
   57   2HD1  ILE   6          HD12      ILE   6  -4.892  10.493 -10.468
   58   3HD1  ILE   6          HD13      ILE   6  -4.734  12.052 -11.279
   59    H    TYR   7           H        TYR   7  -3.386  14.438  -7.099
   60    HA   TYR   7           HA       TYR   7  -5.493  13.928  -5.056
   61   1HB   TYR   7          HB2       TYR   7  -3.335  14.921  -4.246
   62   2HB   TYR   7          HB3       TYR   7  -3.618  16.309  -5.282
   63    HD1  TYR   7           HD1      TYR   7  -6.131  14.482  -3.086
   64    HD2  TYR   7           HD2      TYR   7  -3.742  18.024  -3.696
   65    HE1  TYR   7           HE1      TYR   7  -7.049  15.455  -1.006
   66    HE2  TYR   7           HE2      TYR   7  -4.653  18.979  -1.592
   67    HH   TYR   7           HH       TYR   7  -5.669  18.488   0.339
   68    H    PHE   8           H        PHE   8  -7.416  14.143  -6.119
   69    HA   PHE   8           HA       PHE   8  -7.721  16.004  -8.367
   70   1HB   PHE   8          HB2       PHE   8  -9.741  14.313  -6.825
   71   2HB   PHE   8          HB3       PHE   8 -10.132  15.314  -8.219
   72    HD1  PHE   8           HD1      PHE   8  -8.815  14.925 -10.402
   73    HD2  PHE   8           HD2      PHE   8  -8.960  12.066  -7.174
   74    HE1  PHE   8           HE1      PHE   8  -7.878  13.190 -11.900
   75    HE2  PHE   8           HE2      PHE   8  -8.084  10.320  -8.707
   76    HZ   PHE   8           HZ       PHE   8  -7.472  10.891 -11.030
   77    H    LEU   9           H        LEU   9  -8.882  17.914  -8.396
   78    HA   LEU   9           HA       LEU   9  -9.796  19.088  -5.839
   79   1HB   LEU   9          HB2       LEU   9  -7.335  19.524  -6.269
   80   2HB   LEU   9          HB3       LEU   9  -7.757  20.305  -7.776
   81    HG   LEU   9           HG       LEU   9  -7.186  21.846  -5.945
   82   1HD1  LEU   9          HD11      LEU   9  -8.825  22.531  -7.767
   83   2HD1  LEU   9          HD12      LEU   9 -10.115  22.300  -6.555
   84   3HD1  LEU   9          HD13      LEU   9  -8.833  23.480  -6.279
   85   1HD2  LEU   9          HD21      LEU   9  -8.064  20.529  -4.061
   86   2HD2  LEU   9          HD22      LEU   9  -8.639  22.214  -4.047
   87   3HD2  LEU   9          HD23      LEU   9  -9.720  20.911  -4.558
   88    H    CYS  10           H        CYS  10 -11.763  20.133  -6.238
   89    HA   CYS  10           HA       CYS  10 -12.226  21.361  -8.849
   90   1HB   CYS  10          HB2       CYS  10 -12.979  18.817  -8.794
   91   2HB   CYS  10          HB3       CYS  10 -14.376  19.451  -7.908
   92    HG   CYS  10           HG       CYS  10 -14.869  19.150 -10.510
   93    H    THR  11           H        THR  11 -14.619  22.481  -8.731
   94    HA   THR  11           HA       THR  11 -14.494  24.178  -6.434
   95    HB   THR  11           HB       THR  11 -16.743  24.995  -7.509
   96    HG1  THR  11           HG1      THR  11 -16.784  24.472  -9.725
   97   1HG2  THR  11          HG21      THR  11 -14.104  25.171  -9.030
   98   2HG2  THR  11          HG22      THR  11 -15.444  26.328  -9.081
   99   3HG2  THR  11          HG23      THR  11 -14.504  26.124  -7.592
  100    H    GLY  12           H        GLY  12 -15.850  21.103  -6.713
  101   1HA   GLY  12          HA1       GLY  12 -16.779  21.249  -4.005
  102   2HA   GLY  12          HA2       GLY  12 -18.091  20.891  -5.157
  103    H    ASN  13           H        ASN  13 -15.783  19.464  -3.258
  104    HA   ASN  13           HA       ASN  13 -14.465  17.532  -4.831
  105   1HB   ASN  13          HB2       ASN  13 -14.026  18.045  -2.426
  106   2HB   ASN  13          HB3       ASN  13 -15.545  17.302  -1.976
  107   1HD2  ASN  13          HD22      ASN  13 -13.052  16.544  -0.929
  108   2HD2  ASN  13          HD21      ASN  13 -12.636  14.934  -1.484
  109    H    SER  14           H        SER  14 -17.550  17.416  -3.171
  110    HA   SER  14           HA       SER  14 -18.332  14.906  -3.082
  111   1HB   SER  14          HB2       SER  14 -20.066  17.320  -3.734
  112   2HB   SER  14          HB3       SER  14 -20.554  15.874  -2.819
  113    HG   SER  14           HG       SER  14 -19.015  16.360  -1.284
  114    H    CYS  15           H        CYS  15 -18.253  16.618  -6.147
  115    HA   CYS  15           HA       CYS  15 -19.869  14.429  -7.384
  116   1HB   CYS  15          HB2       CYS  15 -19.488  17.253  -8.446
  117   2HB   CYS  15          HB3       CYS  15 -20.559  15.992  -9.076
  118    HG   CYS  15           HG       CYS  15 -21.781  18.009  -7.921
  119    H    ARG  16           H        ARG  16 -17.744  16.825  -8.943
  120    HA   ARG  16           HA       ARG  16 -16.759  14.859 -10.711
  121   1HB   ARG  16          HB2       ARG  16 -15.957  17.727 -10.110
  122   2HB   ARG  16          HB3       ARG  16 -15.063  16.789 -11.300
  123   1HG   ARG  16          HG2       ARG  16 -16.910  16.492 -12.722
  124   2HG   ARG  16          HG3       ARG  16 -18.092  16.910 -11.482
  125   1HD   ARG  16          HD2       ARG  16 -16.109  18.887 -12.673
  126   2HD   ARG  16          HD3       ARG  16 -17.778  18.678 -13.224
  127    HE   ARG  16           HE       ARG  16 -18.176  19.093 -10.568
  128   1HH1  ARG  16          HH21      ARG  16 -16.655  21.083 -13.086
  129   2HH1  ARG  16          HH22      ARG  16 -16.454  22.446 -12.023
  130   1HH2  ARG  16          HH11      ARG  16 -18.149  20.839  -9.327
  131   2HH2  ARG  16          HH12      ARG  16 -17.269  22.299  -9.751
  132    H    SER  17           H        SER  17 -15.110  16.155  -7.724
  133    HA   SER  17           HA       SER  17 -12.709  14.730  -8.372
  134   1HB   SER  17          HB2       SER  17 -13.539  15.627  -5.616
  135   2HB   SER  17          HB3       SER  17 -11.908  15.413  -6.269
  136    HG   SER  17           HG       SER  17 -12.457  17.573  -6.167
  137    H    GLN  18           H        GLN  18 -15.539  13.908  -6.272
  138    HA   GLN  18           HA       GLN  18 -14.489  11.423  -5.321
  139   1HB   GLN  18          HB2       GLN  18 -17.352  12.377  -5.876
  140   2HB   GLN  18          HB3       GLN  18 -16.991  10.829  -5.130
  141   1HG   GLN  18          HG2       GLN  18 -16.229  13.529  -3.975
  142   2HG   GLN  18          HG3       GLN  18 -17.594  12.549  -3.475
  143   1HE2  GLN  18          HE22      GLN  18 -14.483  13.325  -2.625
  144   2HE2  GLN  18          HE21      GLN  18 -14.160  11.936  -1.594
  145    H    MET  19           H        MET  19 -16.422  12.164  -8.276
  146    HA   MET  19           HA       MET  19 -16.591   9.435  -9.148
  147   1HB   MET  19          HB2       MET  19 -16.751  12.081 -10.676
  148   2HB   MET  19          HB3       MET  19 -17.138  10.507 -11.382
  149   1HG   MET  19          HG2       MET  19 -19.044  10.210 -10.009
  150   2HG   MET  19          HG3       MET  19 -18.527  11.443  -8.871
  151   1HE   MET  19          HE1       MET  19 -20.413  12.408 -13.001
  152   2HE   MET  19          HE2       MET  19 -18.820  11.636 -12.860
  153   3HE   MET  19          HE3       MET  19 -20.287  10.771 -12.327
  154    H    ALA  20           H        ALA  20 -14.254  12.089  -9.943
  155    HA   ALA  20           HA       ALA  20 -12.671  10.642 -11.761
  156   1HB   ALA  20          HB1       ALA  20 -11.781  12.766  -9.762
  157   2HB   ALA  20          HB2       ALA  20 -10.919  12.274 -11.229
  158   3HB   ALA  20          HB3       ALA  20 -12.484  13.094 -11.359
  159    H    GLU  21           H        GLU  21 -12.417  10.874  -8.175
  160    HA   GLU  21           HA       GLU  21 -10.094   9.321  -7.889
  161   1HB   GLU  21          HB2       GLU  21 -10.972  10.624  -6.071
  162   2HB   GLU  21          HB3       GLU  21 -12.489   9.710  -6.042
  163   1HG   GLU  21          HG2       GLU  21 -11.311   7.694  -5.399
  164   2HG   GLU  21          HG3       GLU  21  -9.754   8.510  -5.475
  165    H    GLY  22           H        GLY  22 -13.548   8.279  -7.996
  166   1HA   GLY  22          HA1       GLY  22 -13.265   5.535  -7.739
  167   2HA   GLY  22          HA2       GLY  22 -14.493   6.351  -8.718
  168    H    TRP  23           H        TRP  23 -13.193   7.336 -10.954
  169    HA   TRP  23           HA       TRP  23 -12.597   4.859 -12.348
  170   1HB   TRP  23          HB2       TRP  23 -12.143   7.712 -13.244
  171   2HB   TRP  23          HB3       TRP  23 -11.946   6.299 -14.258
  172    HD1  TRP  23           HD1      TRP  23 -14.535   8.517 -12.685
  173    HE1  TRP  23           HE1      TRP  23 -16.709   8.370 -13.956
  174    HE3  TRP  23           HE3      TRP  23 -13.468   4.488 -15.697
  175    HZ2  TRP  23           HZ2      TRP  23 -17.893   6.731 -16.004
  176    HZ3  TRP  23           HZ3      TRP  23 -15.151   3.729 -17.359
  177    HH2  TRP  23           HH2      TRP  23 -17.387   4.901 -17.518
  178    H    ALA  24           H        ALA  24 -10.497   7.459 -10.967
  179    HA   ALA  24           HA       ALA  24  -8.220   6.645 -12.413
  180   1HB   ALA  24          HB1       ALA  24  -8.445   8.836 -11.231
  181   2HB   ALA  24          HB2       ALA  24  -8.294   7.999  -9.677
  182   3HB   ALA  24          HB3       ALA  24  -6.932   8.011 -10.821
  183    H    LYS  25           H        LYS  25  -9.502   5.436  -9.320
  184    HA   LYS  25           HA       LYS  25  -7.285   3.831  -8.582
  185   1HB   LYS  25          HB2       LYS  25 -10.278   3.495  -8.199
  186   2HB   LYS  25          HB3       LYS  25  -9.109   2.371  -7.491
  187   1HG   LYS  25          HG2       LYS  25  -8.125   4.047  -6.115
  188   2HG   LYS  25          HG3       LYS  25  -8.893   5.367  -7.008
  189   1HD   LYS  25          HD2       LYS  25 -11.123   4.612  -6.257
  190   2HD   LYS  25          HD3       LYS  25 -10.367   3.306  -5.306
  191   1HE   LYS  25          HE2       LYS  25  -9.160   4.952  -3.938
  192   2HE   LYS  25          HE3       LYS  25  -9.711   6.263  -4.988
  193   1HZ   LYS  25          HZ1       LYS  25 -11.089   6.318  -3.139
  194   2HZ   LYS  25          HZ2       LYS  25 -12.017   5.674  -4.298
  195   3HZ   LYS  25          HZ3       LYS  25 -11.376   4.682  -3.134
  196    H    GLN  26           H        GLN  26  -9.748   3.265 -11.063
  197    HA   GLN  26           HA       GLN  26  -9.043   0.465 -11.510
  198   1HB   GLN  26          HB2       GLN  26 -10.753   2.503 -12.976
  199   2HB   GLN  26          HB3       GLN  26 -10.349   0.979 -13.707
  200   1HG   GLN  26          HG2       GLN  26 -12.596   1.327 -12.355
  201   2HG   GLN  26          HG3       GLN  26 -11.752  -0.219 -12.428
  202   1HE2  GLN  26          HE22      GLN  26 -12.033   2.737 -10.257
  203   2HE2  GLN  26          HE21      GLN  26 -11.857   1.788  -8.816
  204    H    TYR  27           H        TYR  27  -8.465   3.568 -13.192
  205    HA   TYR  27           HA       TYR  27  -6.908   2.333 -15.262
  206   1HB   TYR  27          HB2       TYR  27  -7.350   5.225 -14.438
  207   2HB   TYR  27          HB3       TYR  27  -6.383   4.770 -15.832
  208    HD1  TYR  27           HD1      TYR  27  -9.545   5.900 -14.992
  209    HD2  TYR  27           HD2      TYR  27  -7.616   2.903 -17.423
  210    HE1  TYR  27           HE1      TYR  27 -11.513   5.850 -16.490
  211    HE2  TYR  27           HE2      TYR  27  -9.608   2.800 -18.886
  212    HH   TYR  27           HH       TYR  27 -12.505   4.859 -18.356
  213    H    LEU  28           H        LEU  28  -5.938   3.933 -12.225
  214    HA   LEU  28           HA       LEU  28  -3.139   4.054 -13.158
  215   1HB   LEU  28          HB2       LEU  28  -4.462   5.214 -10.680
  216   2HB   LEU  28          HB3       LEU  28  -2.844   5.536 -11.244
  217    HG   LEU  28           HG       LEU  28  -5.403   6.375 -12.627
  218   1HD1  LEU  28          HD11      LEU  28  -4.630   8.622 -12.140
  219   2HD1  LEU  28          HD12      LEU  28  -4.648   7.682 -10.635
  220   3HD1  LEU  28          HD13      LEU  28  -3.109   8.001 -11.454
  221   1HD2  LEU  28          HD21      LEU  28  -3.987   7.499 -14.289
  222   2HD2  LEU  28          HD22      LEU  28  -2.536   6.749 -13.590
  223   3HD2  LEU  28          HD23      LEU  28  -3.787   5.762 -14.379
  224    H    GLY  29           H        GLY  29  -4.973   2.508 -10.529
  225   1HA   GLY  29          HA1       GLY  29  -4.476   0.597  -9.370
  226   2HA   GLY  29          HA2       GLY  29  -3.058   0.379 -10.394
  227    H    ASP  30           H        ASP  30  -2.331  -0.460  -8.296
  228    HA   ASP  30           HA       ASP  30  -2.055   1.003  -5.921
  229   1HB   ASP  30          HB2       ASP  30  -2.073  -1.452  -6.139
  230   2HB   ASP  30          HB3       ASP  30  -0.498  -1.399  -6.934
  231    H    GLU  31           H        GLU  31  -0.108   1.229  -8.732
  232    HA   GLU  31           HA       GLU  31   2.383   2.171  -7.695
  233   1HB   GLU  31          HB2       GLU  31   1.882   1.402 -10.023
  234   2HB   GLU  31          HB3       GLU  31   0.852   2.802 -10.267
  235   1HG   GLU  31          HG2       GLU  31   2.886   4.266  -9.941
  236   2HG   GLU  31          HG3       GLU  31   3.866   2.799  -9.850
  237    H    TRP  32           H        TRP  32  -0.736   3.509  -7.314
  238    HA   TRP  32           HA       TRP  32   0.416   6.122  -6.526
  239   1HB   TRP  32          HB2       TRP  32  -2.240   5.886  -7.960
  240   2HB   TRP  32          HB3       TRP  32  -1.310   7.328  -7.620
  241    HD1  TRP  32           HD1      TRP  32  -0.868   4.142  -9.779
  242    HE1  TRP  32           HE1      TRP  32  -0.187   4.806 -12.135
  243    HE3  TRP  32           HE3      TRP  32  -0.542   9.203  -9.114
  244    HZ2  TRP  32           HZ2      TRP  32   0.200   7.211 -13.621
  245    HZ3  TRP  32           HZ3      TRP  32  -0.133  10.677 -11.053
  246    HH2  TRP  32           HH2      TRP  32   0.218   9.675 -13.340
  247    H    LYS  33           H        LYS  33  -0.883   7.230  -5.011
  248    HA   LYS  33           HA       LYS  33  -3.104   5.737  -3.659
  249   1HB   LYS  33          HB2       LYS  33  -1.139   7.803  -2.619
  250   2HB   LYS  33          HB3       LYS  33  -2.690   7.430  -1.837
  251   1HG   LYS  33          HG2       LYS  33  -1.920   4.927  -2.011
  252   2HG   LYS  33          HG3       LYS  33  -0.304   5.603  -2.255
  253   1HD   LYS  33          HD2       LYS  33  -2.200   6.130   0.060
  254   2HD   LYS  33          HD3       LYS  33  -0.817   5.022   0.117
  255   1HE   LYS  33          HE2       LYS  33   0.683   7.025  -0.435
  256   2HE   LYS  33          HE3       LYS  33  -0.735   8.054  -0.232
  257   1HZ   LYS  33          HZ1       LYS  33  -0.878   7.150   2.078
  258   2HZ   LYS  33          HZ2       LYS  33   0.575   6.389   1.843
  259   3HZ   LYS  33          HZ3       LYS  33   0.473   8.018   1.804
  260    H    VAL  34           H        VAL  34  -5.053   6.863  -3.618
  261    HA   VAL  34           HA       VAL  34  -5.140   9.285  -5.368
  262    HB   VAL  34           HB       VAL  34  -7.163   7.013  -5.373
  263   1HG1  VAL  34          HG11      VAL  34  -6.574   9.111  -7.494
  264   2HG1  VAL  34          HG12      VAL  34  -7.965   8.007  -7.394
  265   3HG1  VAL  34          HG13      VAL  34  -7.797   9.334  -6.234
  266   1HG2  VAL  34          HG21      VAL  34  -5.125   5.963  -6.200
  267   2HG2  VAL  34          HG22      VAL  34  -6.195   6.289  -7.561
  268   3HG2  VAL  34          HG23      VAL  34  -4.796   7.344  -7.269
  269    H    TYR  35           H        TYR  35  -6.094  10.948  -4.388
  270    HA   TYR  35           HA       TYR  35  -8.385  10.413  -2.614
  271   1HB   TYR  35          HB2       TYR  35  -6.825  12.745  -1.732
  272   2HB   TYR  35          HB3       TYR  35  -7.728  11.578  -0.814
  273    HD1  TYR  35           HD1      TYR  35  -6.565   9.263  -0.333
  274    HD2  TYR  35           HD2      TYR  35  -4.505  12.776  -1.752
  275    HE1  TYR  35           HE1      TYR  35  -4.444   8.413   0.640
  276    HE2  TYR  35           HE2      TYR  35  -2.417  11.981  -0.740
  277    HH   TYR  35           HH       TYR  35  -1.407  10.340   0.569
  278    H    SER  36           H        SER  36  -9.620  12.504  -2.283
  279    HA   SER  36           HA       SER  36  -9.411  14.370  -4.570
  280   1HB   SER  36          HB2       SER  36 -11.963  14.142  -4.631
  281   2HB   SER  36          HB3       SER  36 -11.031  12.801  -5.319
  282    HG   SER  36           HG       SER  36 -11.432  11.595  -3.498
  283    H    ALA  37           H        ALA  37  -9.944  16.430  -4.080
  284    HA   ALA  37           HA       ALA  37 -11.265  17.093  -1.532
  285   1HB   ALA  37          HB1       ALA  37  -9.681  18.827  -1.111
  286   2HB   ALA  37          HB2       ALA  37  -8.914  17.247  -1.043
  287   3HB   ALA  37          HB3       ALA  37  -8.656  18.301  -2.474
  288    H    GLY  38           H        GLY  38 -11.474  19.725  -1.745
  289   1HA   GLY  38          HA1       GLY  38 -11.871  20.699  -4.405
  290   2HA   GLY  38          HA2       GLY  38 -13.406  20.326  -3.607
  291    H    ILE  39           H        ILE  39 -13.045  22.843  -4.279
  292    HA   ILE  39           HA       ILE  39 -11.980  24.653  -2.344
  293    HB   ILE  39           HB       ILE  39 -14.247  24.699  -4.354
  294   1HG1  ILE  39          HG12      ILE  39 -12.970  26.550  -5.353
  295   2HG1  ILE  39          HG13      ILE  39 -11.796  26.477  -4.040
  296   1HG2  ILE  39          HG21      ILE  39 -15.214  26.039  -2.590
  297   2HG2  ILE  39          HG22      ILE  39 -13.708  26.981  -2.427
  298   3HG2  ILE  39          HG23      ILE  39 -14.693  27.082  -3.904
  299   1HD1  ILE  39          HD11      ILE  39 -12.276  24.277  -6.093
  300   2HD1  ILE  39          HD12      ILE  39 -10.991  25.478  -6.153
  301   3HD1  ILE  39          HD13      ILE  39 -11.000  24.293  -4.843
  302    H    GLU  40           H        GLU  40 -15.029  22.804  -2.544
  303    HA   GLU  40           HA       GLU  40 -15.112  22.780   0.378
  304   1HB   GLU  40          HB2       GLU  40 -17.448  23.306   0.563
  305   2HB   GLU  40          HB3       GLU  40 -16.599  24.666  -0.150
  306   1HG   GLU  40          HG2       GLU  40 -17.527  24.282  -2.312
  307   2HG   GLU  40          HG3       GLU  40 -18.026  22.637  -1.922
  308    H    ALA  41           H        ALA  41 -17.094  21.240   0.956
  309    HA   ALA  41           HA       ALA  41 -17.556  19.089  -1.001
  310   1HB   ALA  41          HB1       ALA  41 -16.391  18.704   1.806
  311   2HB   ALA  41          HB2       ALA  41 -17.092  17.416   0.817
  312   3HB   ALA  41          HB3       ALA  41 -15.623  18.261   0.264
  313    H    HIS  42           H        HIS  42 -19.714  18.862  -1.012
  314    HA   HIS  42           HA       HIS  42 -21.433  20.087   0.994
  315   1HB   HIS  42          HB2       HIS  42 -22.371  18.098  -1.071
  316   2HB   HIS  42          HB3       HIS  42 -23.200  19.508  -0.436
  317    HD1  HIS  42           HD1      HIS  42 -20.922  21.756  -1.324
  318    HD2  HIS  42           HD2      HIS  42 -22.414  18.514  -3.591
  319    HE1  HIS  42           HE1      HIS  42 -20.482  22.306  -3.750
  320    H    GLY  43           H        GLY  43 -20.365  16.841   0.044
  321   1HA   GLY  43          HA1       GLY  43 -20.268  15.453   2.409
  322   2HA   GLY  43          HA2       GLY  43 -21.952  15.290   1.853
  323    H    LEU  44           H        LEU  44 -21.179  12.900   1.580
  324    HA   LEU  44           HA       LEU  44 -19.671  12.452  -0.945
  325   1HB   LEU  44          HB2       LEU  44 -19.359  10.805   0.878
  326   2HB   LEU  44          HB3       LEU  44 -21.106  10.519   0.927
  327    HG   LEU  44           HG       LEU  44 -21.031   9.713  -1.419
  328   1HD1  LEU  44          HD11      LEU  44 -18.011   9.893  -1.106
  329   2HD1  LEU  44          HD12      LEU  44 -18.858   9.041  -2.414
  330   3HD1  LEU  44          HD13      LEU  44 -19.003  10.791  -2.277
  331   1HD2  LEU  44          HD21      LEU  44 -19.924   7.540  -0.881
  332   2HD2  LEU  44          HD22      LEU  44 -19.259   8.277   0.585
  333   3HD2  LEU  44          HD23      LEU  44 -21.014   8.110   0.394
  334    H    ASN  45           H        ASN  45 -20.935  13.307  -2.628
  335    HA   ASN  45           HA       ASN  45 -23.723  13.676  -2.415
  336   1HB   ASN  45          HB2       ASN  45 -22.150  14.894  -3.960
  337   2HB   ASN  45          HB3       ASN  45 -22.191  13.494  -5.035
  338   1HD2  ASN  45          HD22      ASN  45 -23.180  16.331  -5.427
  339   2HD2  ASN  45          HD21      ASN  45 -24.886  16.175  -5.769
  340    HA   PRO  46           HA       PRO  46 -25.004   9.378  -3.188
  341   1HB   PRO  46          HB2       PRO  46 -27.599  10.772  -3.854
  342   2HB   PRO  46          HB3       PRO  46 -27.330   9.297  -2.872
  343   1HG   PRO  46          HG2       PRO  46 -27.793  11.681  -1.662
  344   2HG   PRO  46          HG3       PRO  46 -26.519  10.586  -1.029
  345   1HD   PRO  46          HD2       PRO  46 -26.193  13.010  -2.815
  346   2HD   PRO  46          HD3       PRO  46 -25.243  12.526  -1.377
  347    H    ASN  47           H        ASN  47 -25.584  12.109  -5.460
  348    HA   ASN  47           HA       ASN  47 -26.190  10.444  -7.710
  349   1HB   ASN  47          HB2       ASN  47 -26.473  12.333  -8.809
  350   2HB   ASN  47          HB3       ASN  47 -26.239  13.190  -7.308
  351   1HD2  ASN  47          HD22      ASN  47 -25.297  13.065 -10.536
  352   2HD2  ASN  47          HD21      ASN  47 -23.725  13.819 -10.389
  353    H    ALA  48           H        ALA  48 -23.087  11.521  -6.288
  354    HA   ALA  48           HA       ALA  48 -21.509  10.585  -8.521
  355   1HB   ALA  48          HB1       ALA  48 -19.608  10.891  -6.959
  356   2HB   ALA  48          HB2       ALA  48 -20.659  12.319  -6.993
  357   3HB   ALA  48          HB3       ALA  48 -20.730  11.186  -5.624
  358    H    VAL  49           H        VAL  49 -22.596   9.279  -5.360
  359    HA   VAL  49           HA       VAL  49 -21.111   6.862  -5.480
  360    HB   VAL  49           HB       VAL  49 -23.772   7.297  -4.091
  361   1HG1  VAL  49          HG11      VAL  49 -23.190   4.913  -4.354
  362   2HG1  VAL  49          HG12      VAL  49 -21.548   5.220  -3.766
  363   3HG1  VAL  49          HG13      VAL  49 -22.945   5.408  -2.675
  364   1HG2  VAL  49          HG21      VAL  49 -22.085   8.921  -3.297
  365   2HG2  VAL  49          HG22      VAL  49 -22.361   7.682  -2.078
  366   3HG2  VAL  49          HG23      VAL  49 -20.903   7.619  -3.095
  367    H    LYS  50           H        LYS  50 -24.550   7.547  -6.513
  368    HA   LYS  50           HA       LYS  50 -24.835   4.895  -7.493
  369   1HB   LYS  50          HB2       LYS  50 -26.708   6.581  -6.953
  370   2HB   LYS  50          HB3       LYS  50 -26.443   7.229  -8.582
  371   1HG   LYS  50          HG2       LYS  50 -26.809   4.869  -9.485
  372   2HG   LYS  50          HG3       LYS  50 -27.156   4.347  -7.828
  373   1HD   LYS  50          HD2       LYS  50 -28.993   6.117  -7.793
  374   2HD   LYS  50          HD3       LYS  50 -28.735   6.318  -9.528
  375   1HE   LYS  50          HE2       LYS  50 -29.466   3.672  -8.179
  376   2HE   LYS  50          HE3       LYS  50 -30.645   4.809  -8.830
  377   1HZ   LYS  50          HZ1       LYS  50 -28.660   3.257 -10.399
  378   2HZ   LYS  50          HZ2       LYS  50 -30.275   3.191 -10.455
  379   3HZ   LYS  50          HZ3       LYS  50 -29.531   4.519 -11.022
  380    H    ALA  51           H        ALA  51 -23.875   7.940  -9.187
  381    HA   ALA  51           HA       ALA  51 -23.842   6.956 -11.780
  382   1HB   ALA  51          HB1       ALA  51 -21.866   8.898 -10.480
  383   2HB   ALA  51          HB2       ALA  51 -22.079   8.684 -12.222
  384   3HB   ALA  51          HB3       ALA  51 -23.412   9.326 -11.256
  385    H    MET  52           H        MET  52 -21.165   6.745  -9.361
  386    HA   MET  52           HA       MET  52 -19.513   5.229 -11.207
  387   1HB   MET  52          HB2       MET  52 -19.312   5.763  -8.226
  388   2HB   MET  52          HB3       MET  52 -18.076   4.940  -9.180
  389   1HG   MET  52          HG2       MET  52 -18.990   7.815  -9.465
  390   2HG   MET  52          HG3       MET  52 -17.430   7.235  -8.898
  391   1HE   MET  52          HE1       MET  52 -15.731   5.807 -10.516
  392   2HE   MET  52          HE2       MET  52 -17.037   4.814 -11.204
  393   3HE   MET  52          HE3       MET  52 -15.939   5.675 -12.269
  394    H    LYS  53           H        LYS  53 -21.751   4.338  -8.525
  395    HA   LYS  53           HA       LYS  53 -20.944   1.646  -8.324
  396   1HB   LYS  53          HB2       LYS  53 -22.350   2.946  -6.706
  397   2HB   LYS  53          HB3       LYS  53 -23.682   2.892  -7.872
  398   1HG   LYS  53          HG2       LYS  53 -23.537   0.331  -7.685
  399   2HG   LYS  53          HG3       LYS  53 -22.433   0.579  -6.324
  400   1HD   LYS  53          HD2       LYS  53 -25.251   1.701  -6.598
  401   2HD   LYS  53          HD3       LYS  53 -24.859   0.252  -5.674
  402   1HE   LYS  53          HE2       LYS  53 -23.763   3.039  -5.061
  403   2HE   LYS  53          HE3       LYS  53 -25.230   2.377  -4.341
  404   1HZ   LYS  53          HZ1       LYS  53 -23.884   0.598  -3.374
  405   2HZ   LYS  53          HZ2       LYS  53 -22.499   1.258  -3.977
  406   3HZ   LYS  53          HZ3       LYS  53 -23.362   2.070  -2.885
  407    H    GLU  54           H        GLU  54 -23.178   3.266 -10.580
  408    HA   GLU  54           HA       GLU  54 -24.137   0.902 -11.835
  409   1HB   GLU  54          HB2       GLU  54 -23.936   3.790 -12.737
  410   2HB   GLU  54          HB3       GLU  54 -24.677   2.551 -13.743
  411   1HG   GLU  54          HG2       GLU  54 -25.562   3.275 -10.927
  412   2HG   GLU  54          HG3       GLU  54 -26.279   3.910 -12.402
  413    H    VAL  55           H        VAL  55 -20.987   2.433 -12.084
  414    HA   VAL  55           HA       VAL  55 -20.271   0.999 -14.561
  415    HB   VAL  55           HB       VAL  55 -18.383   2.433 -12.636
  416   1HG1  VAL  55          HG11      VAL  55 -18.191   1.829 -15.622
  417   2HG1  VAL  55          HG12      VAL  55 -17.036   2.817 -14.704
  418   3HG1  VAL  55          HG13      VAL  55 -17.205   1.108 -14.331
  419   1HG2  VAL  55          HG21      VAL  55 -18.576   4.434 -14.106
  420   2HG2  VAL  55          HG22      VAL  55 -19.891   3.630 -14.989
  421   3HG2  VAL  55          HG23      VAL  55 -20.089   4.079 -13.278
  422    H    GLY  56           H        GLY  56 -20.727   0.193 -11.276
  423   1HA   GLY  56          HA1       GLY  56 -20.207  -1.740 -10.132
  424   2HA   GLY  56          HA2       GLY  56 -19.076  -2.237 -11.404
  425    H    ILE  57           H        ILE  57 -18.985   1.054 -10.019
  426    HA   ILE  57           HA       ILE  57 -16.445   0.408  -8.594
  427    HB   ILE  57           HB       ILE  57 -17.172   2.884 -10.190
  428   1HG1  ILE  57          HG12      ILE  57 -15.000   0.793 -10.690
  429   2HG1  ILE  57          HG13      ILE  57 -16.522   0.888 -11.577
  430   1HG2  ILE  57          HG21      ILE  57 -14.615   2.231  -8.645
  431   2HG2  ILE  57          HG22      ILE  57 -14.932   3.715  -9.572
  432   3HG2  ILE  57          HG23      ILE  57 -15.853   3.383  -8.117
  433   1HD1  ILE  57          HD11      ILE  57 -15.933   3.158 -12.372
  434   2HD1  ILE  57          HD12      ILE  57 -14.334   2.986 -11.602
  435   3HD1  ILE  57          HD13      ILE  57 -14.821   1.895 -12.913
  436    H    ASP  58           H        ASP  58 -17.451   0.059  -6.700
  437    HA   ASP  58           HA       ASP  58 -19.698   1.683  -5.811
  438   1HB   ASP  58          HB2       ASP  58 -19.684  -0.698  -5.365
  439   2HB   ASP  58          HB3       ASP  58 -18.176  -0.562  -4.445
  440    H    ILE  59           H        ILE  59 -18.647   3.795  -5.796
  441    HA   ILE  59           HA       ILE  59 -16.450   4.249  -4.008
  442    HB   ILE  59           HB       ILE  59 -16.588   6.547  -4.540
  443   1HG1  ILE  59          HG12      ILE  59 -19.170   6.168  -6.059
  444   2HG1  ILE  59          HG13      ILE  59 -19.117   6.739  -4.395
  445   1HG2  ILE  59          HG21      ILE  59 -17.179   5.005  -7.065
  446   2HG2  ILE  59          HG22      ILE  59 -16.279   6.530  -6.926
  447   3HG2  ILE  59          HG23      ILE  59 -15.615   5.050  -6.222
  448   1HD1  ILE  59          HD11      ILE  59 -17.937   8.169  -6.789
  449   2HD1  ILE  59          HD12      ILE  59 -19.253   8.688  -5.716
  450   3HD1  ILE  59          HD13      ILE  59 -17.603   8.608  -5.097
  451    H    SER  60           H        SER  60 -19.437   3.373  -3.001
  452    HA   SER  60           HA       SER  60 -20.298   5.340  -1.236
  453   1HB   SER  60          HB2       SER  60 -20.320   2.352  -0.645
  454   2HB   SER  60          HB3       SER  60 -21.437   3.583  -0.035
  455    HG   SER  60           HG       SER  60 -21.232   2.378  -2.566
  456    H    ASN  61           H        ASN  61 -17.517   3.199  -0.977
  457    HA   ASN  61           HA       ASN  61 -17.022   3.483   1.833
  458   1HB   ASN  61          HB2       ASN  61 -16.207   1.577   0.490
  459   2HB   ASN  61          HB3       ASN  61 -15.210   2.667  -0.481
  460   1HD2  ASN  61          HD22      ASN  61 -15.710   1.595   2.954
  461   2HD2  ASN  61          HD21      ASN  61 -14.035   1.765   3.400
  462    H    GLN  62           H        GLN  62 -16.448   5.662  -0.849
  463    HA   GLN  62           HA       GLN  62 -14.079   6.924   0.203
  464   1HB   GLN  62          HB2       GLN  62 -16.079   7.915  -1.878
  465   2HB   GLN  62          HB3       GLN  62 -14.495   8.621  -1.513
  466   1HG   GLN  62          HG2       GLN  62 -13.413   6.476  -2.154
  467   2HG   GLN  62          HG3       GLN  62 -14.982   5.856  -2.665
  468   1HE2  GLN  62          HE22      GLN  62 -15.091   9.128  -3.608
  469   2HE2  GLN  62          HE21      GLN  62 -14.529   8.863  -5.255
  470    H    THR  63           H        THR  63 -14.250   9.390   0.567
  471    HA   THR  63           HA       THR  63 -16.712  10.358   1.734
  472    HB   THR  63           HB       THR  63 -15.223  11.327   3.679
  473    HG1  THR  63           HG1      THR  63 -13.244  10.443   2.998
  474   1HG2  THR  63          HG21      THR  63 -16.013   8.390   3.814
  475   2HG2  THR  63          HG22      THR  63 -15.816   9.519   5.170
  476   3HG2  THR  63          HG23      THR  63 -17.128   9.762   4.007
  477    H    SER  64           H        SER  64 -16.736  12.687   1.733
  478    HA   SER  64           HA       SER  64 -14.770  13.886  -0.125
  479   1HB   SER  64          HB2       SER  64 -17.402  14.969   0.926
  480   2HB   SER  64          HB3       SER  64 -16.412  15.638  -0.388
  481    HG   SER  64           HG       SER  64 -18.324  14.178  -0.837
  482    H    ASP  65           H        ASP  65 -13.771  15.838   0.422
  483    HA   ASP  65           HA       ASP  65 -13.811  16.929   3.138
  484   1HB   ASP  65          HB2       ASP  65 -12.092  15.009   3.083
  485   2HB   ASP  65          HB3       ASP  65 -11.215  15.952   1.865
  486    H    ILE  66           H        ILE  66 -12.495  19.013   3.134
  487    HA   ILE  66           HA       ILE  66 -12.493  20.241   0.435
  488    HB   ILE  66           HB       ILE  66 -12.726  22.304   1.443
  489   1HG1  ILE  66          HG12      ILE  66 -12.040  21.046   4.127
  490   2HG1  ILE  66          HG13      ILE  66 -11.094  22.242   3.216
  491   1HG2  ILE  66          HG21      ILE  66 -14.846  22.123   2.532
  492   2HG2  ILE  66          HG22      ILE  66 -14.704  20.662   1.533
  493   3HG2  ILE  66          HG23      ILE  66 -14.433  20.567   3.273
  494   1HD1  ILE  66          HD11      ILE  66 -13.761  22.649   4.595
  495   2HD1  ILE  66          HD12      ILE  66 -12.212  23.435   4.954
  496   3HD1  ILE  66          HD13      ILE  66 -13.080  23.820   3.440
  497    H    ILE  67           H        ILE  67 -10.587  21.652  -0.024
  498    HA   ILE  67           HA       ILE  67  -8.373  19.985  -0.063
  499    HB   ILE  67           HB       ILE  67  -8.914  21.534  -1.761
  500   1HG1  ILE  67          HG12      ILE  67  -6.573  20.621  -1.435
  501   2HG1  ILE  67          HG13      ILE  67  -6.823  21.937  -2.564
  502   1HG2  ILE  67          HG21      ILE  67  -9.692  23.483  -0.577
  503   2HG2  ILE  67          HG22      ILE  67  -8.047  23.827   0.015
  504   3HG2  ILE  67          HG23      ILE  67  -8.412  23.892  -1.719
  505   1HD1  ILE  67          HD11      ILE  67  -5.690  22.359   0.217
  506   2HD1  ILE  67          HD12      ILE  67  -4.751  22.211  -1.275
  507   3HD1  ILE  67          HD13      ILE  67  -5.869  23.567  -1.067
  508    H    ASP  68           H        ASP  68  -7.071  19.302   1.340
  509    HA   ASP  68           HA       ASP  68  -6.040  21.007   3.542
  510   1HB   ASP  68          HB2       ASP  68  -6.711  18.740   4.153
  511   2HB   ASP  68          HB3       ASP  68  -5.693  18.054   2.882
  512    H    SER  69           H        SER  69  -4.402  22.285   2.901
  513    HA   SER  69           HA       SER  69  -3.032  22.103   0.494
  514   1HB   SER  69          HB2       SER  69  -2.046  23.473   3.020
  515   2HB   SER  69          HB3       SER  69  -1.756  23.958   1.340
  516    HG   SER  69           HG       SER  69  -3.420  25.180   2.416
  517    H    ASP  70           H        ASP  70  -2.325  20.413   3.518
  518    HA   ASP  70           HA       ASP  70   0.493  20.136   3.084
  519   1HB   ASP  70          HB2       ASP  70  -0.513  19.820   5.294
  520   2HB   ASP  70          HB3       ASP  70  -1.430  18.428   4.699
  521    H    ILE  71           H        ILE  71  -2.333  18.204   2.137
  522    HA   ILE  71           HA       ILE  71  -0.801  15.992   1.054
  523    HB   ILE  71           HB       ILE  71  -3.666  16.883   0.560
  524   1HG1  ILE  71          HG12      ILE  71  -2.488  14.596   2.209
  525   2HG1  ILE  71          HG13      ILE  71  -3.151  16.095   2.869
  526   1HG2  ILE  71          HG21      ILE  71  -3.996  14.674  -0.513
  527   2HG2  ILE  71          HG22      ILE  71  -2.818  15.605  -1.403
  528   3HG2  ILE  71          HG23      ILE  71  -2.263  14.311  -0.322
  529   1HD1  ILE  71          HD11      ILE  71  -4.691  13.894   1.451
  530   2HD1  ILE  71          HD12      ILE  71  -4.818  14.411   3.136
  531   3HD1  ILE  71          HD13      ILE  71  -5.381  15.492   1.843
  532    H    LEU  72           H        LEU  72  -2.347  18.939  -0.338
  533    HA   LEU  72           HA       LEU  72  -1.590  18.544  -3.008
  534   1HB   LEU  72          HB2       LEU  72  -3.146  20.257  -2.262
  535   2HB   LEU  72          HB3       LEU  72  -1.902  21.090  -1.366
  536    HG   LEU  72           HG       LEU  72  -1.130  20.772  -4.182
  537   1HD1  LEU  72          HD11      LEU  72  -3.561  20.763  -4.581
  538   2HD1  LEU  72          HD12      LEU  72  -3.744  22.242  -3.626
  539   3HD1  LEU  72          HD13      LEU  72  -2.834  22.274  -5.156
  540   1HD2  LEU  72          HD21      LEU  72  -0.855  23.233  -3.993
  541   2HD2  LEU  72          HD22      LEU  72  -1.673  23.197  -2.423
  542   3HD2  LEU  72          HD23      LEU  72  -0.118  22.378  -2.634
  543    H    ASN  73           H        ASN  73   0.260  20.154  -0.378
  544    HA   ASN  73           HA       ASN  73   2.468  20.808  -2.036
  545   1HB   ASN  73          HB2       ASN  73   1.962  20.830   0.942
  546   2HB   ASN  73          HB3       ASN  73   3.606  21.013   0.363
  547   1HD2  ASN  73          HD22      ASN  73   0.349  22.462   0.091
  548   2HD2  ASN  73          HD21      ASN  73   0.883  23.984  -0.608
  549    H    ASN  74           H        ASN  74   1.647  17.646  -1.162
  550    HA   ASN  74           HA       ASN  74   4.443  16.865  -1.740
  551   1HB   ASN  74          HB2       ASN  74   4.648  15.259  -0.134
  552   2HB   ASN  74          HB3       ASN  74   3.944  16.607   0.765
  553   1HD2  ASN  74          HD22      ASN  74   1.549  16.404   1.313
  554   2HD2  ASN  74          HD21      ASN  74   0.947  14.773   1.524
  555    H    ALA  75           H        ALA  75   1.345  16.738  -2.891
  556    HA   ALA  75           HA       ALA  75   1.178  14.020  -3.723
  557   1HB   ALA  75          HB1       ALA  75   0.049  16.538  -5.019
  558   2HB   ALA  75          HB2       ALA  75  -0.463  14.867  -5.337
  559   3HB   ALA  75          HB3       ALA  75  -0.747  15.586  -3.743
  560    H    ASP  76           H        ASP  76   1.755  13.128  -5.884
  561    HA   ASP  76           HA       ASP  76   4.176  14.288  -7.097
  562   1HB   ASP  76          HB2       ASP  76   3.744  11.825  -7.223
  563   2HB   ASP  76          HB3       ASP  76   2.268  12.147  -8.149
  564    H    LEU  77           H        LEU  77   0.675  14.253  -7.513
  565    HA   LEU  77           HA       LEU  77   0.782  16.323  -9.609
  566   1HB   LEU  77          HB2       LEU  77   0.782  14.252 -10.794
  567   2HB   LEU  77          HB3       LEU  77  -0.445  13.565  -9.726
  568    HG   LEU  77           HG       LEU  77  -2.121  15.160 -10.616
  569   1HD1  LEU  77          HD11      LEU  77  -1.773  16.420 -12.621
  570   2HD1  LEU  77          HD12      LEU  77  -0.490  16.915 -11.520
  571   3HD1  LEU  77          HD13      LEU  77  -0.142  15.780 -12.843
  572   1HD2  LEU  77          HD21      LEU  77  -0.699  13.436 -12.662
  573   2HD2  LEU  77          HD22      LEU  77  -1.870  12.859 -11.464
  574   3HD2  LEU  77          HD23      LEU  77  -2.398  13.956 -12.748
  575    H    VAL  78           H        VAL  78  -0.930  17.629  -9.626
  576    HA   VAL  78           HA       VAL  78  -3.284  17.070  -7.885
  577    HB   VAL  78           HB       VAL  78  -2.064  19.774  -8.602
  578   1HG1  VAL  78          HG11      VAL  78  -3.726  20.706  -7.025
  579   2HG1  VAL  78          HG12      VAL  78  -4.535  19.883  -8.355
  580   3HG1  VAL  78          HG13      VAL  78  -4.418  19.082  -6.774
  581   1HG2  VAL  78          HG21      VAL  78  -2.146  18.366  -5.895
  582   2HG2  VAL  78          HG22      VAL  78  -0.704  18.578  -6.908
  583   3HG2  VAL  78          HG23      VAL  78  -1.498  19.993  -6.250
  584    H    VAL  79           H        VAL  79  -5.248  17.158  -9.030
  585    HA   VAL  79           HA       VAL  79  -5.072  17.944 -11.918
  586    HB   VAL  79           HB       VAL  79  -6.706  15.677 -10.735
  587   1HG1  VAL  79          HG11      VAL  79  -7.180  15.167 -13.142
  588   2HG1  VAL  79          HG12      VAL  79  -7.805  16.749 -12.669
  589   3HG1  VAL  79          HG13      VAL  79  -6.296  16.640 -13.604
  590   1HG2  VAL  79          HG21      VAL  79  -5.232  14.216 -12.146
  591   2HG2  VAL  79          HG22      VAL  79  -4.178  15.619 -12.426
  592   3HG2  VAL  79          HG23      VAL  79  -4.404  14.966 -10.782
  593    H    THR  80           H        THR  80  -6.075  19.796 -12.099
  594    HA   THR  80           HA       THR  80  -8.276  20.508 -10.266
  595    HB   THR  80           HB       THR  80  -8.026  22.760 -11.274
  596    HG1  THR  80           HG1      THR  80  -5.828  21.536 -12.618
  597   1HG2  THR  80          HG21      THR  80  -6.873  22.242  -9.187
  598   2HG2  THR  80          HG22      THR  80  -5.515  21.506 -10.062
  599   3HG2  THR  80          HG23      THR  80  -5.821  23.240 -10.205
  600    H    LEU  81           H        LEU  81 -10.091  19.526 -10.854
  601    HA   LEU  81           HA       LEU  81 -10.483  18.569 -13.545
  602   1HB   LEU  81          HB2       LEU  81 -12.174  18.539 -11.034
  603   2HB   LEU  81          HB3       LEU  81 -12.748  17.832 -12.543
  604    HG   LEU  81           HG       LEU  81 -10.136  17.006 -11.201
  605   1HD1  LEU  81          HD11      LEU  81 -12.090  16.557  -9.751
  606   2HD1  LEU  81          HD12      LEU  81 -12.853  15.651 -11.082
  607   3HD1  LEU  81          HD13      LEU  81 -11.340  15.074 -10.353
  608   1HD2  LEU  81          HD21      LEU  81 -10.403  14.969 -12.639
  609   2HD2  LEU  81          HD22      LEU  81 -11.803  15.730 -13.424
  610   3HD2  LEU  81          HD23      LEU  81 -10.191  16.433 -13.601
  611    H    CYS  82           H        CYS  82 -11.126  21.682 -12.304
  612    HA   CYS  82           HA       CYS  82 -12.413  22.216 -14.791
  613   1HB   CYS  82          HB2       CYS  82 -14.406  23.292 -14.051
  614   2HB   CYS  82          HB3       CYS  82 -14.363  21.685 -13.291
  615    HG   CYS  82           HG       CYS  82 -13.542  22.388 -11.013
  616    H    GLY  83           H        GLY  83 -12.389  24.589 -15.262
  617   1HA   GLY  83          HA1       GLY  83  -9.779  25.480 -14.756
  618   2HA   GLY  83          HA2       GLY  83 -11.064  26.415 -15.540
  619    H    ASP  84           H        ASP  84 -12.911  26.677 -13.401
  620    HA   ASP  84           HA       ASP  84 -11.775  28.914 -12.062
  621   1HB   ASP  84          HB2       ASP  84 -14.194  28.641 -12.532
  622   2HB   ASP  84          HB3       ASP  84 -14.277  27.347 -11.329
  623    H    ALA  85           H        ALA  85 -12.063  25.506 -11.109
  624    HA   ALA  85           HA       ALA  85 -11.532  25.850  -8.328
  625   1HB   ALA  85          HB1       ALA  85 -11.039  23.476  -8.329
  626   2HB   ALA  85          HB2       ALA  85 -12.440  23.751  -9.363
  627   3HB   ALA  85          HB3       ALA  85 -10.844  23.451 -10.088
  628    H    ALA  86           H        ALA  86  -9.409  25.888 -11.159
  629    HA   ALA  86           HA       ALA  86  -7.042  25.043  -9.847
  630   1HB   ALA  86          HB1       ALA  86  -5.899  25.831 -11.834
  631   2HB   ALA  86          HB2       ALA  86  -7.417  25.033 -12.311
  632   3HB   ALA  86          HB3       ALA  86  -7.298  26.813 -12.309
  633    H    ASP  87           H        ASP  87  -8.707  28.078  -9.560
  634    HA   ASP  87           HA       ASP  87  -6.516  29.759  -8.850
  635   1HB   ASP  87          HB2       ASP  87  -8.785  30.615  -9.230
  636   2HB   ASP  87          HB3       ASP  87  -9.385  29.687  -7.848
  637    H    LYS  88           H        LYS  88  -8.224  27.174  -7.139
  638    HA   LYS  88           HA       LYS  88  -7.078  27.931  -4.537
  639   1HB   LYS  88          HB2       LYS  88  -9.508  27.229  -4.929
  640   2HB   LYS  88          HB3       LYS  88  -8.892  25.604  -5.228
  641   1HG   LYS  88          HG2       LYS  88  -9.621  25.607  -3.013
  642   2HG   LYS  88          HG3       LYS  88  -7.859  25.698  -2.896
  643   1HD   LYS  88          HD2       LYS  88  -7.971  28.099  -2.404
  644   2HD   LYS  88          HD3       LYS  88  -9.735  28.093  -2.668
  645   1HE   LYS  88          HE2       LYS  88 -10.002  26.434  -0.855
  646   2HE   LYS  88          HE3       LYS  88  -8.258  26.428  -0.581
  647   1HZ   LYS  88          HZ1       LYS  88  -8.417  28.775   0.057
  648   2HZ   LYS  88          HZ2       LYS  88 -10.032  28.779  -0.195
  649   3HZ   LYS  88          HZ3       LYS  88  -9.393  27.874   0.997
  650    H    CYS  89           H        CYS  89  -4.930  27.507  -5.852
  651    HA   CYS  89           HA       CYS  89  -4.023  24.733  -5.164
  652   1HB   CYS  89          HB2       CYS  89  -3.045  26.473  -7.455
  653   2HB   CYS  89          HB3       CYS  89  -2.333  24.937  -6.930
  654    HG   CYS  89           HG       CYS  89  -5.205  25.680  -8.287
  655    HA   PRO  90           HA       PRO  90  -1.826  27.822  -2.526
  656   1HB   PRO  90          HB2       PRO  90  -1.930  26.507  -0.134
  657   2HB   PRO  90          HB3       PRO  90  -3.285  27.456  -0.805
  658   1HG   PRO  90          HG2       PRO  90  -2.853  24.469  -0.993
  659   2HG   PRO  90          HG3       PRO  90  -4.340  25.341  -0.492
  660   1HD   PRO  90          HD2       PRO  90  -4.003  24.418  -3.025
  661   2HD   PRO  90          HD3       PRO  90  -4.837  25.962  -2.699
  662    H    MET  91           H        MET  91  -0.325  26.988  -4.187
  663    HA   MET  91           HA       MET  91   1.843  26.823  -4.642
  664   1HB   MET  91          HB2       MET  91   2.370  25.912  -1.793
  665   2HB   MET  91          HB3       MET  91   3.571  26.342  -3.006
  666   1HG   MET  91          HG2       MET  91   2.622  28.630  -3.144
  667   2HG   MET  91          HG3       MET  91   1.450  28.213  -1.887
  668   1HE   MET  91          HE1       MET  91   3.320  30.766  -1.756
  669   2HE   MET  91          HE2       MET  91   2.145  30.330  -0.494
  670   3HE   MET  91          HE3       MET  91   3.820  30.721  -0.052
  671    H    THR  92           H        THR  92   1.704  25.311  -6.246
  672    HA   THR  92           HA       THR  92   2.284  22.491  -5.500
  673    HB   THR  92           HB       THR  92   1.613  22.021  -7.860
  674    HG1  THR  92           HG1      THR  92   1.881  24.157  -8.654
  675   1HG2  THR  92          HG21      THR  92   0.037  21.804  -5.933
  676   2HG2  THR  92          HG22      THR  92  -0.573  23.432  -6.304
  677   3HG2  THR  92          HG23      THR  92  -0.740  22.115  -7.488
  678    HA   PRO  93           HA       PRO  93   6.343  24.424  -6.728
  679   1HB   PRO  93          HB2       PRO  93   7.968  22.885  -5.119
  680   2HB   PRO  93          HB3       PRO  93   7.075  24.316  -4.530
  681   1HG   PRO  93          HG2       PRO  93   6.262  21.399  -4.354
  682   2HG   PRO  93          HG3       PRO  93   6.295  22.618  -3.037
  683   1HD   PRO  93          HD2       PRO  93   4.005  22.045  -4.356
  684   2HD   PRO  93          HD3       PRO  93   4.400  23.726  -3.885
  685    HA   PRO  94           HA       PRO  94   7.637  21.601  -9.845
  686   1HB   PRO  94          HB2       PRO  94  10.304  21.220  -8.461
  687   2HB   PRO  94          HB3       PRO  94   9.974  21.462 -10.209
  688   1HG   PRO  94          HG2       PRO  94  10.756  23.563  -8.704
  689   2HG   PRO  94          HG3       PRO  94   9.387  23.763  -9.847
  690   1HD   PRO  94          HD2       PRO  94   9.305  23.345  -6.862
  691   2HD   PRO  94          HD3       PRO  94   8.317  24.438  -7.877
  692    H    HIS  95           H        HIS  95   8.241  20.296  -6.582
  693    HA   HIS  95           HA       HIS  95   8.423  17.531  -7.337
  694   1HB   HIS  95          HB2       HIS  95   7.509  18.765  -4.706
  695   2HB   HIS  95          HB3       HIS  95   8.071  17.114  -4.949
  696    HD1  HIS  95           HD1      HIS  95  10.815  17.141  -6.055
  697    HD2  HIS  95           HD2      HIS  95   9.336  20.338  -3.745
  698    HE1  HIS  95           HE1      HIS  95  12.849  18.416  -5.211
  699    H    VAL  96           H        VAL  96   5.803  19.638  -7.547
  700    HA   VAL  96           HA       VAL  96   3.674  17.574  -7.350
  701    HB   VAL  96           HB       VAL  96   3.567  20.483  -6.404
  702   1HG1  VAL  96          HG11      VAL  96   1.431  19.921  -5.473
  703   2HG1  VAL  96          HG12      VAL  96   1.431  19.475  -7.177
  704   3HG1  VAL  96          HG13      VAL  96   1.613  18.216  -5.937
  705   1HG2  VAL  96          HG21      VAL  96   3.458  19.695  -4.092
  706   2HG2  VAL  96          HG22      VAL  96   3.907  18.067  -4.615
  707   3HG2  VAL  96          HG23      VAL  96   5.035  19.414  -4.829
  708    H    LYS  97           H        LYS  97   3.671  17.351  -9.649
  709    HA   LYS  97           HA       LYS  97   3.580  19.740 -11.335
  710   1HB   LYS  97          HB2       LYS  97   3.535  18.317 -13.162
  711   2HB   LYS  97          HB3       LYS  97   4.533  17.463 -11.997
  712   1HG   LYS  97          HG2       LYS  97   2.134  16.321 -11.422
  713   2HG   LYS  97          HG3       LYS  97   1.836  16.808 -13.102
  714   1HD   LYS  97          HD2       LYS  97   4.000  15.603 -13.718
  715   2HD   LYS  97          HD3       LYS  97   4.073  15.049 -12.032
  716   1HE   LYS  97          HE2       LYS  97   1.614  14.191 -12.512
  717   2HE   LYS  97          HE3       LYS  97   2.076  14.321 -14.211
  718   1HZ   LYS  97          HZ1       LYS  97   2.546  12.116 -13.382
  719   2HZ   LYS  97          HZ2       LYS  97   3.996  12.836 -13.603
  720   3HZ   LYS  97          HZ3       LYS  97   3.366  12.685 -12.082
  721    H    ARG  98           H        ARG  98   1.549  20.018 -12.747
  722    HA   ARG  98           HA       ARG  98  -0.921  19.318 -11.310
  723   1HB   ARG  98          HB2       ARG  98  -0.253  21.339 -10.197
  724   2HB   ARG  98          HB3       ARG  98  -0.002  22.184 -11.733
  725   1HG   ARG  98          HG2       ARG  98  -2.318  22.303 -12.186
  726   2HG   ARG  98          HG3       ARG  98  -2.725  21.044 -11.024
  727   1HD   ARG  98          HD2       ARG  98  -3.320  23.443 -10.375
  728   2HD   ARG  98          HD3       ARG  98  -2.513  22.436  -9.178
  729    HE   ARG  98           HE       ARG  98  -0.598  23.698  -9.259
  730   1HH1  ARG  98          HH11      ARG  98  -2.685  24.962 -11.875
  731   2HH1  ARG  98          HH12      ARG  98  -2.093  26.570 -11.698
  732   1HH2  ARG  98          HH21      ARG  98   0.240  25.701  -9.152
  733   2HH2  ARG  98          HH22      ARG  98  -0.295  26.995 -10.179
  734    H    GLU  99           H        GLU  99  -2.742  19.336 -12.579
  735    HA   GLU  99           HA       GLU  99  -2.410  19.880 -15.467
  736   1HB   GLU  99          HB2       GLU  99  -1.976  17.475 -14.925
  737   2HB   GLU  99          HB3       GLU  99  -3.573  17.363 -14.184
  738   1HG   GLU  99          HG2       GLU  99  -3.452  16.393 -16.447
  739   2HG   GLU  99          HG3       GLU  99  -4.651  17.682 -16.318
  740    H    HIS 100           H        HIS 100  -4.567  20.110 -16.535
  741    HA   HIS 100           HA       HIS 100  -6.638  21.195 -14.691
  742   1HB   HIS 100          HB2       HIS 100  -5.528  22.760 -17.046
  743   2HB   HIS 100          HB3       HIS 100  -6.618  23.318 -15.788
  744    HD1  HIS 100           HD1      HIS 100  -2.873  22.629 -16.394
  745    HD2  HIS 100           HD2      HIS 100  -5.497  24.311 -13.578
  746    HE1  HIS 100           HE1      HIS 100  -1.417  23.842 -14.696
  747    H    TRP 101           H        TRP 101  -8.694  20.915 -15.436
  748    HA   TRP 101           HA       TRP 101  -9.196  20.538 -18.322
  749   1HB   TRP 101          HB2       TRP 101 -10.510  18.898 -16.131
  750   2HB   TRP 101          HB3       TRP 101 -10.647  18.710 -17.883
  751    HD1  TRP 101           HD1      TRP 101  -8.570  17.665 -14.952
  752    HE1  TRP 101           HE1      TRP 101  -6.627  16.169 -15.657
  753    HE3  TRP 101           HE3      TRP 101  -8.868  18.301 -20.025
  754    HZ2  TRP 101           HZ2      TRP 101  -5.371  15.305 -18.121
  755    HZ3  TRP 101           HZ3      TRP 101  -7.282  17.127 -21.527
  756    HH2  TRP 101           HH2      TRP 101  -5.541  15.624 -20.587
  757    H    GLY 102           H        GLY 102 -12.002  20.468 -18.183
  758   1HA   GLY 102          HA1       GLY 102 -12.937  22.801 -16.659
  759   2HA   GLY 102          HA2       GLY 102 -12.523  23.142 -18.328
  760    H    PHE 103           H        PHE 103 -14.585  20.971 -16.271
  761    HA   PHE 103           HA       PHE 103 -16.740  21.587 -18.123
  762   1HB   PHE 103          HB2       PHE 103 -17.551  19.167 -18.091
  763   2HB   PHE 103          HB3       PHE 103 -16.344  19.676 -19.236
  764    HD1  PHE 103           HD1      PHE 103 -13.782  19.245 -18.511
  765    HD2  PHE 103           HD2      PHE 103 -17.225  17.036 -17.150
  766    HE1  PHE 103           HE1      PHE 103 -12.320  17.342 -17.953
  767    HE2  PHE 103           HE2      PHE 103 -15.782  15.057 -16.774
  768    HZ   PHE 103           HZ       PHE 103 -13.326  15.201 -17.185
  769    H    ASP 104           H        ASP 104 -18.800  21.273 -17.351
  770    HA   ASP 104           HA       ASP 104 -19.021  22.522 -14.816
  771   1HB   ASP 104          HB2       ASP 104 -20.368  22.999 -16.871
  772   2HB   ASP 104          HB3       ASP 104 -21.175  21.440 -16.660
  773    H    ASP 105           H        ASP 105 -20.656  21.960 -13.175
  774    HA   ASP 105           HA       ASP 105 -20.004  19.332 -12.131
  775   1HB   ASP 105          HB2       ASP 105 -20.076  21.535 -10.824
  776   2HB   ASP 105          HB3       ASP 105 -21.823  21.393 -10.869
  777    HA   PRO 106           HA       PRO 106 -23.722  17.673 -13.811
  778   1HB   PRO 106          HB2       PRO 106 -23.666  15.111 -12.786
  779   2HB   PRO 106          HB3       PRO 106 -22.525  15.690 -14.032
  780   1HG   PRO 106          HG2       PRO 106 -22.119  15.486 -11.035
  781   2HG   PRO 106          HG3       PRO 106 -21.004  14.972 -12.341
  782   1HD   PRO 106          HD2       PRO 106 -20.747  17.368 -11.036
  783   2HD   PRO 106          HD3       PRO 106 -20.347  17.199 -12.768
  784    H    ALA 107           H        ALA 107 -23.391  17.641 -10.272
  785    HA   ALA 107           HA       ALA 107 -25.859  16.365  -9.745
  786   1HB   ALA 107          HB1       ALA 107 -25.532  17.185  -7.440
  787   2HB   ALA 107          HB2       ALA 107 -24.051  16.488  -8.127
  788   3HB   ALA 107          HB3       ALA 107 -24.234  18.258  -8.002
  789    H    ARG 108           H        ARG 108 -25.394  19.515 -10.932
  790    HA   ARG 108           HA       ARG 108 -28.082  20.335 -10.020
  791   1HB   ARG 108          HB2       ARG 108 -27.300  22.723 -10.101
  792   2HB   ARG 108          HB3       ARG 108 -26.874  21.737  -8.730
  793   1HG   ARG 108          HG2       ARG 108 -24.922  22.090 -11.021
  794   2HG   ARG 108          HG3       ARG 108 -25.098  23.337  -9.786
  795   1HD   ARG 108          HD2       ARG 108 -24.441  20.437  -9.155
  796   2HD   ARG 108          HD3       ARG 108 -23.239  21.723  -9.348
  797    HE   ARG 108           HE       ARG 108 -25.127  22.541  -7.412
  798   1HH1  ARG 108          HH21      ARG 108 -22.487  20.139  -7.811
  799   2HH1  ARG 108          HH22      ARG 108 -22.053  20.213  -6.119
  800   1HH2  ARG 108          HH11      ARG 108 -24.527  22.493  -5.156
  801   2HH2  ARG 108          HH12      ARG 108 -23.204  21.481  -4.653
  802    H    ALA 109           H        ALA 109 -26.764  19.066 -12.614
  803    HA   ALA 109           HA       ALA 109 -27.496  20.783 -14.770
  804   1HB   ALA 109          HB1       ALA 109 -27.543  17.739 -14.451
  805   2HB   ALA 109          HB2       ALA 109 -27.644  18.617 -15.992
  806   3HB   ALA 109          HB3       ALA 109 -26.152  18.700 -15.020
  807    H    GLN 110           H        GLN 110 -29.568  20.956 -15.747
  808    HA   GLN 110           HA       GLN 110 -31.905  19.709 -14.393
  809   1HB   GLN 110          HB2       GLN 110 -31.222  22.672 -14.563
  810   2HB   GLN 110          HB3       GLN 110 -32.894  22.140 -14.420
  811   1HG   GLN 110          HG2       GLN 110 -32.586  21.215 -12.269
  812   2HG   GLN 110          HG3       GLN 110 -30.835  21.203 -12.404
  813   1HE2  GLN 110          HE22      GLN 110 -29.616  23.052 -12.011
  814   2HE2  GLN 110          HE21      GLN 110 -30.313  24.526 -11.353
  815    H    GLY 111           H        GLY 111 -33.896  20.113 -15.596
  816   1HA   GLY 111          HA1       GLY 111 -34.575  21.359 -17.822
  817   2HA   GLY 111          HA2       GLY 111 -33.572  20.068 -18.526
  818    H    THR 112           H        THR 112 -34.009  17.927 -17.001
  819    HA   THR 112           HA       THR 112 -36.580  17.442 -15.992
  820    HB   THR 112           HB       THR 112 -37.370  17.280 -18.249
  821    HG1  THR 112           HG1      THR 112 -38.179  15.282 -18.171
  822   1HG2  THR 112          HG21      THR 112 -35.359  16.992 -19.560
  823   2HG2  THR 112          HG22      THR 112 -35.059  15.398 -18.832
  824   3HG2  THR 112          HG23      THR 112 -36.458  15.651 -19.897
  825    H    GLU 113           H        GLU 113 -36.545  15.025 -15.250
  826    HA   GLU 113           HA       GLU 113 -34.141  14.697 -13.772
  827   1HB   GLU 113          HB2       GLU 113 -36.277  13.855 -12.975
  828   2HB   GLU 113          HB3       GLU 113 -36.432  12.775 -14.370
  829   1HG   GLU 113          HG2       GLU 113 -34.515  11.455 -13.638
  830   2HG   GLU 113          HG3       GLU 113 -34.182  12.587 -12.321
  831    H    GLU 114           H        GLU 114 -35.273  13.179 -16.786
  832    HA   GLU 114           HA       GLU 114 -33.050  11.388 -16.950
  833   1HB   GLU 114          HB2       GLU 114 -33.785  10.897 -19.211
  834   2HB   GLU 114          HB3       GLU 114 -35.134  10.878 -18.076
  835   1HG   GLU 114          HG2       GLU 114 -35.835  13.123 -18.853
  836   2HG   GLU 114          HG3       GLU 114 -34.473  13.167 -19.981
  837    H    GLU 115           H        GLU 115 -33.443  14.769 -17.872
  838    HA   GLU 115           HA       GLU 115 -31.131  14.824 -19.601
  839   1HB   GLU 115          HB2       GLU 115 -33.027  16.443 -19.789
  840   2HB   GLU 115          HB3       GLU 115 -32.588  17.108 -18.215
  841   1HG   GLU 115          HG2       GLU 115 -31.713  18.569 -19.862
  842   2HG   GLU 115          HG3       GLU 115 -30.338  17.731 -19.161
  843    H    LYS 116           H        LYS 116 -31.911  15.685 -16.209
  844    HA   LYS 116           HA       LYS 116 -29.340  16.501 -15.376
  845   1HB   LYS 116          HB2       LYS 116 -31.273  16.952 -14.032
  846   2HB   LYS 116          HB3       LYS 116 -31.701  15.244 -13.942
  847   1HG   LYS 116          HG2       LYS 116 -29.779  14.741 -12.591
  848   2HG   LYS 116          HG3       LYS 116 -29.170  16.402 -12.706
  849   1HD   LYS 116          HD2       LYS 116 -31.933  15.853 -11.594
  850   2HD   LYS 116          HD3       LYS 116 -30.498  15.531 -10.597
  851   1HE   LYS 116          HE2       LYS 116 -29.768  17.906 -10.969
  852   2HE   LYS 116          HE3       LYS 116 -31.295  18.200 -11.806
  853   1HZ   LYS 116          HZ1       LYS 116 -31.039  17.366  -8.971
  854   2HZ   LYS 116          HZ2       LYS 116 -31.433  18.858  -9.490
  855   3HZ   LYS 116          HZ3       LYS 116 -32.459  17.618  -9.744
  856    H    TRP 117           H        TRP 117 -30.834  13.233 -15.288
  857    HA   TRP 117           HA       TRP 117 -28.498  11.932 -14.305
  858   1HB   TRP 117          HB2       TRP 117 -30.712  10.875 -14.248
  859   2HB   TRP 117          HB3       TRP 117 -30.748  10.802 -16.011
  860    HD1  TRP 117           HD1      TRP 117 -29.252   8.972 -17.202
  861    HE1  TRP 117           HE1      TRP 117 -28.044   6.854 -16.403
  862    HE3  TRP 117           HE3      TRP 117 -29.328   9.837 -12.156
  863    HZ2  TRP 117           HZ2      TRP 117 -27.000   5.818 -13.952
  864    HZ3  TRP 117           HZ3      TRP 117 -28.095   8.335 -10.620
  865    HH2  TRP 117           HH2      TRP 117 -26.913   6.324 -11.502
  866    H    ALA 118           H        ALA 118 -29.596  12.528 -17.720
  867    HA   ALA 118           HA       ALA 118 -27.477  11.130 -18.946
  868   1HB   ALA 118          HB1       ALA 118 -28.912  13.642 -19.912
  869   2HB   ALA 118          HB2       ALA 118 -27.913  12.565 -20.908
  870   3HB   ALA 118          HB3       ALA 118 -29.422  11.963 -20.195
  871    H    PHE 119           H        PHE 119 -27.588  14.490 -17.663
  872    HA   PHE 119           HA       PHE 119 -24.977  15.185 -18.523
  873   1HB   PHE 119          HB2       PHE 119 -26.959  16.605 -17.481
  874   2HB   PHE 119          HB3       PHE 119 -26.112  16.291 -15.974
  875    HD1  PHE 119           HD1      PHE 119 -23.569  16.954 -15.892
  876    HD2  PHE 119           HD2      PHE 119 -26.285  18.316 -18.951
  877    HE1  PHE 119           HE1      PHE 119 -22.049  18.850 -16.394
  878    HE2  PHE 119           HE2      PHE 119 -24.750  20.193 -19.471
  879    HZ   PHE 119           HZ       PHE 119 -22.632  20.463 -18.201
  880    H    PHE 120           H        PHE 120 -26.123  13.520 -15.509
  881    HA   PHE 120           HA       PHE 120 -23.612  13.334 -14.200
  882   1HB   PHE 120          HB2       PHE 120 -25.633  11.076 -14.293
  883   2HB   PHE 120          HB3       PHE 120 -24.356  11.325 -13.148
  884    HD1  PHE 120           HD1      PHE 120 -25.724  14.579 -13.290
  885    HD2  PHE 120           HD2      PHE 120 -26.678  10.559 -12.043
  886    HE1  PHE 120           HE1      PHE 120 -27.283  15.463 -11.608
  887    HE2  PHE 120           HE2      PHE 120 -28.324  11.461 -10.424
  888    HZ   PHE 120           HZ       PHE 120 -28.605  13.920 -10.177
  889    H    GLN 121           H        GLN 121 -25.130  11.167 -16.671
  890    HA   GLN 121           HA       GLN 121 -22.950   9.364 -16.830
  891   1HB   GLN 121          HB2       GLN 121 -24.967  10.069 -19.005
  892   2HB   GLN 121          HB3       GLN 121 -23.911   8.666 -19.005
  893   1HG   GLN 121          HG2       GLN 121 -26.112   9.201 -16.964
  894   2HG   GLN 121          HG3       GLN 121 -26.224   8.122 -18.340
  895   1HE2  GLN 121          HE22      GLN 121 -25.097   8.452 -15.050
  896   2HE2  GLN 121          HE21      GLN 121 -24.400   6.855 -14.914
  897    H    ARG 122           H        ARG 122 -23.585  12.318 -18.757
  898    HA   ARG 122           HA       ARG 122 -21.339  12.027 -20.490
  899   1HB   ARG 122          HB2       ARG 122 -23.029  14.395 -19.628
  900   2HB   ARG 122          HB3       ARG 122 -21.485  14.697 -20.409
  901   1HG   ARG 122          HG2       ARG 122 -23.048  14.750 -22.141
  902   2HG   ARG 122          HG3       ARG 122 -22.163  13.235 -22.322
  903   1HD   ARG 122          HD2       ARG 122 -24.109  12.059 -21.185
  904   2HD   ARG 122          HD3       ARG 122 -24.945  13.614 -21.146
  905    HE   ARG 122           HE       ARG 122 -25.327  13.541 -23.416
  906   1HH1  ARG 122          HH21      ARG 122 -23.293  10.770 -22.517
  907   2HH1  ARG 122          HH22      ARG 122 -23.511   9.944 -24.014
  908   1HH2  ARG 122          HH11      ARG 122 -25.619  12.440 -25.407
  909   2HH2  ARG 122          HH12      ARG 122 -24.866  10.918 -25.689
  910    H    VAL 123           H        VAL 123 -21.593  13.819 -17.349
  911    HA   VAL 123           HA       VAL 123 -18.830  14.559 -17.434
  912    HB   VAL 123           HB       VAL 123 -20.767  14.359 -15.097
  913   1HG1  VAL 123          HG11      VAL 123 -17.977  15.598 -15.228
  914   2HG1  VAL 123          HG12      VAL 123 -19.139  15.877 -13.925
  915   3HG1  VAL 123          HG13      VAL 123 -18.495  14.259 -14.182
  916   1HG2  VAL 123          HG21      VAL 123 -19.743  16.740 -16.732
  917   2HG2  VAL 123          HG22      VAL 123 -21.365  16.042 -16.848
  918   3HG2  VAL 123          HG23      VAL 123 -20.849  16.834 -15.354
  919    H    ARG 124           H        ARG 124 -20.484  11.655 -16.040
  920    HA   ARG 124           HA       ARG 124 -18.223  10.544 -14.799
  921   1HB   ARG 124          HB2       ARG 124 -20.858   9.706 -15.200
  922   2HB   ARG 124          HB3       ARG 124 -20.004   8.666 -16.344
  923   1HG   ARG 124          HG2       ARG 124 -18.545   7.939 -14.395
  924   2HG   ARG 124          HG3       ARG 124 -19.608   8.837 -13.337
  925   1HD   ARG 124          HD2       ARG 124 -20.133   6.409 -13.478
  926   2HD   ARG 124          HD3       ARG 124 -21.497   7.459 -13.914
  927    HE   ARG 124           HE       ARG 124 -20.025   6.653 -16.246
  928   1HH1  ARG 124          HH21      ARG 124 -22.303   5.273 -13.901
  929   2HH1  ARG 124          HH22      ARG 124 -23.220   4.425 -15.109
  930   1HH2  ARG 124          HH11      ARG 124 -21.163   5.428 -17.811
  931   2HH2  ARG 124          HH12      ARG 124 -22.562   4.538 -17.364
  932    H    ASP 125           H        ASP 125 -19.410  10.114 -18.133
  933    HA   ASP 125           HA       ASP 125 -17.388   8.354 -18.999
  934   1HB   ASP 125          HB2       ASP 125 -19.476   8.674 -20.230
  935   2HB   ASP 125          HB3       ASP 125 -19.048  10.351 -20.585
  936    H    GLU 126           H        GLU 126 -17.536  11.969 -19.094
  937    HA   GLU 126           HA       GLU 126 -15.032  12.079 -20.465
  938   1HB   GLU 126          HB2       GLU 126 -16.804  14.185 -19.220
  939   2HB   GLU 126          HB3       GLU 126 -15.259  14.594 -19.967
  940   1HG   GLU 126          HG2       GLU 126 -17.415  13.049 -21.469
  941   2HG   GLU 126          HG3       GLU 126 -17.353  14.804 -21.413
  942    H    ILE 127           H        ILE 127 -15.851  12.080 -17.004
  943    HA   ILE 127           HA       ILE 127 -13.204  12.937 -16.185
  944    HB   ILE 127           HB       ILE 127 -15.651  12.370 -14.880
  945   1HG1  ILE 127          HG12      ILE 127 -14.394  12.948 -12.754
  946   2HG1  ILE 127          HG13      ILE 127 -12.933  13.088 -13.747
  947   1HG2  ILE 127          HG21      ILE 127 -15.177  10.082 -14.640
  948   2HG2  ILE 127          HG22      ILE 127 -13.627  10.425 -13.822
  949   3HG2  ILE 127          HG23      ILE 127 -15.182  10.876 -13.073
  950   1HD1  ILE 127          HD11      ILE 127 -13.931  14.892 -14.997
  951   2HD1  ILE 127          HD12      ILE 127 -15.541  14.582 -14.287
  952   3HD1  ILE 127          HD13      ILE 127 -14.224  15.239 -13.286
  953    H    GLY 128           H        GLY 128 -14.798   9.771 -16.840
  954   1HA   GLY 128          HA1       GLY 128 -12.573   8.134 -16.233
  955   2HA   GLY 128          HA2       GLY 128 -13.944   7.709 -17.281
  956    H    ASN 129           H        ASN 129 -13.702   9.507 -19.349
  957    HA   ASN 129           HA       ASN 129 -11.706   8.482 -21.037
  958   1HB   ASN 129          HB2       ASN 129 -13.837   9.557 -21.734
  959   2HB   ASN 129          HB3       ASN 129 -13.211  11.111 -21.183
  960   1HD2  ASN 129          HD22      ASN 129 -13.679  11.889 -23.307
  961   2HD2  ASN 129          HD21      ASN 129 -12.671  11.443 -24.682
  962    H    ARG 130           H        ARG 130 -11.699  11.433 -19.005
  963    HA   ARG 130           HA       ARG 130  -9.201  12.470 -19.920
  964   1HB   ARG 130          HB2       ARG 130 -11.091  13.073 -17.769
  965   2HB   ARG 130          HB3       ARG 130  -9.507  12.913 -17.067
  966   1HG   ARG 130          HG2       ARG 130  -9.747  15.169 -17.551
  967   2HG   ARG 130          HG3       ARG 130  -8.628  14.555 -18.771
  968   1HD   ARG 130          HD2       ARG 130 -11.615  14.992 -19.199
  969   2HD   ARG 130          HD3       ARG 130 -10.391  16.191 -19.581
  970    HE   ARG 130           HE       ARG 130  -9.388  14.610 -21.190
  971   1HH1  ARG 130          HH21      ARG 130 -12.758  13.991 -20.269
  972   2HH1  ARG 130          HH22      ARG 130 -13.268  13.549 -21.868
  973   1HH2  ARG 130          HH11      ARG 130  -9.908  13.410 -23.076
  974   2HH2  ARG 130          HH12      ARG 130 -11.566  13.021 -23.418
  975    H    LEU 131           H        LEU 131 -10.017  10.211 -17.294
  976    HA   LEU 131           HA       LEU 131  -7.281   9.953 -16.474
  977   1HB   LEU 131          HB2       LEU 131  -9.798   8.389 -15.811
  978   2HB   LEU 131          HB3       LEU 131  -8.254   8.103 -14.993
  979    HG   LEU 131           HG       LEU 131  -9.442  10.918 -15.144
  980   1HD1  LEU 131          HD11      LEU 131 -11.172   9.588 -14.192
  981   2HD1  LEU 131          HD12      LEU 131 -10.031   8.832 -13.046
  982   3HD1  LEU 131          HD13      LEU 131 -10.409  10.566 -12.933
  983   1HD2  LEU 131          HD21      LEU 131  -7.479   9.618 -13.222
  984   2HD2  LEU 131          HD22      LEU 131  -7.074  10.767 -14.512
  985   3HD2  LEU 131          HD23      LEU 131  -8.084  11.295 -13.179
  986    H    LYS 132           H        LYS 132  -9.340   8.046 -18.655
  987    HA   LYS 132           HA       LYS 132  -7.473   5.988 -19.190
  988   1HB   LYS 132          HB2       LYS 132  -9.559   5.531 -19.975
  989   2HB   LYS 132          HB3       LYS 132  -9.891   7.147 -20.524
  990   1HG   LYS 132          HG2       LYS 132  -7.888   5.417 -22.017
  991   2HG   LYS 132          HG3       LYS 132  -9.625   5.182 -22.205
  992   1HD   LYS 132          HD2       LYS 132  -9.451   7.915 -22.540
  993   2HD   LYS 132          HD3       LYS 132  -7.913   7.384 -23.236
  994   1HE   LYS 132          HE2       LYS 132  -9.066   5.936 -24.811
  995   2HE   LYS 132          HE3       LYS 132 -10.606   6.170 -23.970
  996   1HZ   LYS 132          HZ1       LYS 132 -10.529   7.549 -25.913
  997   2HZ   LYS 132          HZ2       LYS 132 -10.532   8.516 -24.590
  998   3HZ   LYS 132          HZ3       LYS 132  -9.146   8.275 -25.448
  999    H    GLU 133           H        GLU 133  -7.861   9.180 -20.873
 1000    HA   GLU 133           HA       GLU 133  -5.585   8.707 -22.577
 1001   1HB   GLU 133          HB2       GLU 133  -6.794  11.313 -21.548
 1002   2HB   GLU 133          HB3       GLU 133  -5.482  11.211 -22.735
 1003   1HG   GLU 133          HG2       GLU 133  -6.945   9.933 -24.264
 1004   2HG   GLU 133          HG3       GLU 133  -8.291  10.102 -23.136
 1005    H    PHE 134           H        PHE 134  -5.863  10.385 -19.405
 1006    HA   PHE 134           HA       PHE 134  -3.169  11.135 -19.216
 1007   1HB   PHE 134          HB2       PHE 134  -4.828  12.021 -17.771
 1008   2HB   PHE 134          HB3       PHE 134  -5.304  10.416 -17.214
 1009    HD1  PHE 134           HD1      PHE 134  -4.283   9.346 -15.404
 1010    HD2  PHE 134           HD2      PHE 134  -2.627  12.992 -16.990
 1011    HE1  PHE 134           HE1      PHE 134  -2.726   9.489 -13.461
 1012    HE2  PHE 134           HE2      PHE 134  -1.064  13.120 -15.073
 1013    HZ   PHE 134           HZ       PHE 134  -1.131  11.367 -13.308
 1014    H    ALA 135           H        ALA 135  -4.696   8.016 -18.424
 1015    HA   ALA 135           HA       ALA 135  -2.316   6.847 -17.334
 1016   1HB   ALA 135          HB1       ALA 135  -4.545   6.031 -16.735
 1017   2HB   ALA 135          HB2       ALA 135  -4.838   5.528 -18.414
 1018   3HB   ALA 135          HB3       ALA 135  -3.576   4.732 -17.453
 1019    H    GLU 136           H        GLU 136  -3.958   6.571 -20.495
 1020    HA   GLU 136           HA       GLU 136  -2.152   4.661 -21.591
 1021   1HB   GLU 136          HB2       GLU 136  -4.223   6.506 -22.826
 1022   2HB   GLU 136          HB3       GLU 136  -3.280   5.379 -23.790
 1023   1HG   GLU 136          HG2       GLU 136  -5.026   4.503 -21.448
 1024   2HG   GLU 136          HG3       GLU 136  -5.564   4.553 -23.121
 1025    H    THR 137           H        THR 137  -2.311   8.197 -21.833
 1026    HA   THR 137           HA       THR 137  -0.100   8.250 -23.661
 1027    HB   THR 137           HB       THR 137  -0.475  10.586 -23.816
 1028    HG1  THR 137           HG1      THR 137  -2.457  10.285 -21.828
 1029   1HG2  THR 137          HG21      THR 137  -2.792  10.568 -24.639
 1030   2HG2  THR 137          HG22      THR 137  -1.946   9.071 -25.091
 1031   3HG2  THR 137          HG23      THR 137  -3.115   9.054 -23.766
 1032    H    GLY 138           H        GLY 138  -0.558   8.322 -20.225
 1033   1HA   GLY 138          HA1       GLY 138   0.768   8.668 -18.438
 1034   2HA   GLY 138          HA2       GLY 138   2.199   8.473 -19.485
 1035    H    LYS 139           H        LYS 139  -0.499  10.796 -19.634
 1036    HA   LYS 139           HA       LYS 139   0.951  12.890 -20.627
 1037   1HB   LYS 139          HB2       LYS 139  -1.596  12.504 -20.377
 1038   2HB   LYS 139          HB3       LYS 139  -1.458  13.350 -18.839
 1039   1HG   LYS 139          HG2       LYS 139  -0.615  15.340 -19.909
 1040   2HG   LYS 139          HG3       LYS 139  -0.428  14.514 -21.458
 1041   1HD   LYS 139          HD2       LYS 139  -3.038  15.208 -20.062
 1042   2HD   LYS 139          HD3       LYS 139  -2.391  15.945 -21.519
 1043   1HE   LYS 139          HE2       LYS 139  -3.535  13.136 -21.203
 1044   2HE   LYS 139          HE3       LYS 139  -4.182  14.477 -22.149
 1045   1HZ   LYS 139          HZ1       LYS 139  -2.067  14.259 -23.512
 1046   2HZ   LYS 139          HZ2       LYS 139  -1.838  12.801 -22.755
 1047   3HZ   LYS 139          HZ3       LYS 139  -3.158  13.056 -23.659
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1   1.852  -0.424  -2.439
    2   2H    MET   1           H2       MET   1   3.405  -0.084  -2.021
    3   3H    MET   1           H3       MET   1   2.653  -1.405  -1.403
    4    HA   MET   1           HA       MET   1   1.042  -0.026  -0.287
    5   1HB   MET   1          HB2       MET   1   3.099  -0.856   0.879
    6   2HB   MET   1          HB3       MET   1   3.880   0.694   0.553
    7   1HG   MET   1          HG2       MET   1   2.027   1.832   1.793
    8   2HG   MET   1          HG3       MET   1   1.308   0.265   2.140
    9   1HE   MET   1          HE1       MET   1   2.177  -1.439   3.892
   10   2HE   MET   1          HE2       MET   1   3.710  -1.637   3.007
   11   3HE   MET   1          HE3       MET   1   3.727  -1.307   4.750
   12    H    GLU   2           H        GLU   2   3.830   2.238  -1.025
   13    HA   GLU   2           HA       GLU   2   1.903   4.185  -2.138
   14   1HB   GLU   2          HB2       GLU   2   3.984   4.791   0.019
   15   2HB   GLU   2          HB3       GLU   2   3.036   5.988  -0.868
   16   1HG   GLU   2          HG2       GLU   2   0.948   5.018   0.118
   17   2HG   GLU   2          HG3       GLU   2   1.934   3.909   1.063
   18    H    ASN   3           H        ASN   3   3.007   5.602  -3.654
   19    HA   ASN   3           HA       ASN   3   5.845   5.399  -4.071
   20   1HB   ASN   3          HB2       ASN   3   5.451   3.325  -5.147
   21   2HB   ASN   3          HB3       ASN   3   4.028   3.919  -5.973
   22   1HD2  ASN   3          HD22      ASN   3   4.278   4.862  -7.993
   23   2HD2  ASN   3          HD21      ASN   3   5.847   5.116  -8.762
   24    H    LYS   4           H        LYS   4   2.731   6.333  -5.539
   25    HA   LYS   4           HA       LYS   4   3.804   9.095  -5.854
   26   1HB   LYS   4          HB2       LYS   4   2.217   7.493  -7.907
   27   2HB   LYS   4          HB3       LYS   4   2.258   9.254  -7.921
   28   1HG   LYS   4          HG2       LYS   4   4.682   9.284  -8.184
   29   2HG   LYS   4          HG3       LYS   4   4.749   7.523  -8.119
   30   1HD   LYS   4          HD2       LYS   4   3.356   9.174 -10.275
   31   2HD   LYS   4          HD3       LYS   4   4.915   8.337 -10.415
   32   1HE   LYS   4          HE2       LYS   4   3.644   6.184  -9.801
   33   2HE   LYS   4          HE3       LYS   4   2.157   7.098 -10.050
   34   1HZ   LYS   4          HZ1       LYS   4   2.992   5.779 -11.998
   35   2HZ   LYS   4          HZ2       LYS   4   2.720   7.372 -12.337
   36   3HZ   LYS   4          HZ3       LYS   4   4.247   6.806 -12.135
   37    H    ILE   5           H        ILE   5   1.935  10.659  -5.986
   38    HA   ILE   5           HA       ILE   5  -0.572   9.688  -4.763
   39    HB   ILE   5           HB       ILE   5   1.227  11.916  -3.724
   40   1HG1  ILE   5          HG12      ILE   5  -0.302   9.775  -2.214
   41   2HG1  ILE   5          HG13      ILE   5   1.357   9.568  -2.783
   42   1HG2  ILE   5          HG21      ILE   5  -0.700  12.715  -2.322
   43   2HG2  ILE   5          HG22      ILE   5  -1.021  12.944  -4.030
   44   3HG2  ILE   5          HG23      ILE   5  -1.768  11.584  -3.191
   45   1HD1  ILE   5          HD11      ILE   5   2.062  11.529  -1.436
   46   2HD1  ILE   5          HD12      ILE   5   0.420  11.617  -0.746
   47   3HD1  ILE   5          HD13      ILE   5   1.419  10.186  -0.471
   48    H    ILE   6           H        ILE   6  -2.292  10.517  -5.823
   49    HA   ILE   6           HA       ILE   6  -1.883  12.837  -7.615
   50    HB   ILE   6           HB       ILE   6  -2.008  11.027  -9.097
   51   1HG1  ILE   6          HG12      ILE   6  -4.771  12.315  -8.938
   52   2HG1  ILE   6          HG13      ILE   6  -3.327  13.044  -9.641
   53   1HG2  ILE   6          HG21      ILE   6  -3.746   9.311  -9.135
   54   2HG2  ILE   6          HG22      ILE   6  -2.918   9.276  -7.587
   55   3HG2  ILE   6          HG23      ILE   6  -4.521  10.042  -7.716
   56   1HD1  ILE   6          HD11      ILE   6  -4.655  12.203 -11.440
   57   2HD1  ILE   6          HD12      ILE   6  -3.270  11.096 -11.292
   58   3HD1  ILE   6          HD13      ILE   6  -4.856  10.622 -10.663
   59    H    TYR   7           H        TYR   7  -3.385  14.442  -7.224
   60    HA   TYR   7           HA       TYR   7  -5.457  13.903  -5.153
   61   1HB   TYR   7          HB2       TYR   7  -3.295  14.826  -4.337
   62   2HB   TYR   7          HB3       TYR   7  -3.538  16.242  -5.346
   63    HD1  TYR   7           HD1      TYR   7  -5.922  14.346  -3.052
   64    HD2  TYR   7           HD2      TYR   7  -3.790  18.014  -3.857
   65    HE1  TYR   7           HE1      TYR   7  -6.806  15.319  -0.955
   66    HE2  TYR   7           HE2      TYR   7  -4.665  18.973  -1.737
   67    HH   TYR   7           HH       TYR   7  -5.551  18.451   0.266
   68    H    PHE   8           H        PHE   8  -7.346  14.098  -6.238
   69    HA   PHE   8           HA       PHE   8  -7.818  16.000  -8.400
   70   1HB   PHE   8          HB2       PHE   8  -9.593  14.108  -6.763
   71   2HB   PHE   8          HB3       PHE   8 -10.140  15.014  -8.157
   72    HD1  PHE   8           HD1      PHE   8  -8.999  14.613 -10.405
   73    HD2  PHE   8           HD2      PHE   8  -8.458  11.982  -7.040
   74    HE1  PHE   8           HE1      PHE   8  -7.964  12.928 -11.893
   75    HE2  PHE   8           HE2      PHE   8  -7.423  10.296  -8.546
   76    HZ   PHE   8           HZ       PHE   8  -7.161  10.782 -10.954
   77    H    LEU   9           H        LEU   9  -8.953  17.909  -8.299
   78    HA   LEU   9           HA       LEU   9  -9.920  18.783  -5.649
   79   1HB   LEU   9          HB2       LEU   9  -7.448  19.311  -6.214
   80   2HB   LEU   9          HB3       LEU   9  -8.032  20.360  -7.484
   81    HG   LEU   9           HG       LEU   9  -7.299  21.474  -5.376
   82   1HD1  LEU   9          HD11      LEU   9  -9.006  23.122  -5.233
   83   2HD1  LEU   9          HD12      LEU   9  -8.972  22.567  -6.906
   84   3HD1  LEU   9          HD13      LEU   9 -10.262  22.022  -5.808
   85   1HD2  LEU   9          HD21      LEU   9  -8.058  19.798  -3.778
   86   2HD2  LEU   9          HD22      LEU   9  -8.798  21.374  -3.400
   87   3HD2  LEU   9          HD23      LEU   9  -9.756  20.145  -4.157
   88    H    CYS  10           H        CYS  10 -11.832  19.962  -5.754
   89    HA   CYS  10           HA       CYS  10 -12.607  21.215  -8.315
   90   1HB   CYS  10          HB2       CYS  10 -13.283  18.684  -8.200
   91   2HB   CYS  10          HB3       CYS  10 -14.496  19.210  -7.019
   92    HG   CYS  10           HG       CYS  10 -13.926  20.382 -10.089
   93    H    THR  11           H        THR  11 -15.009  22.250  -7.926
   94    HA   THR  11           HA       THR  11 -14.629  24.020  -5.720
   95    HB   THR  11           HB       THR  11 -17.067  24.716  -6.531
   96    HG1  THR  11           HG1      THR  11 -17.325  24.263  -8.690
   97   1HG2  THR  11          HG21      THR  11 -15.023  26.044  -6.691
   98   2HG2  THR  11          HG22      THR  11 -14.468  25.098  -8.074
   99   3HG2  THR  11          HG23      THR  11 -15.922  26.119  -8.219
  100    H    GLY  12           H        GLY  12 -15.885  20.906  -5.592
  101   1HA   GLY  12          HA1       GLY  12 -16.410  21.284  -2.823
  102   2HA   GLY  12          HA2       GLY  12 -17.910  20.905  -3.697
  103    H    ASN  13           H        ASN  13 -15.810  19.343  -1.875
  104    HA   ASN  13           HA       ASN  13 -14.962  17.212  -3.655
  105   1HB   ASN  13          HB2       ASN  13 -13.673  18.028  -1.642
  106   2HB   ASN  13          HB3       ASN  13 -14.884  17.282  -0.621
  107   1HD2  ASN  13          HD22      ASN  13 -13.782  15.671  -3.712
  108   2HD2  ASN  13          HD21      ASN  13 -12.996  14.369  -2.851
  109    H    SER  14           H        SER  14 -17.783  17.583  -3.624
  110    HA   SER  14           HA       SER  14 -18.846  15.214  -2.166
  111   1HB   SER  14          HB2       SER  14 -20.159  17.811  -3.040
  112   2HB   SER  14          HB3       SER  14 -20.937  16.529  -2.108
  113    HG   SER  14           HG       SER  14 -20.004  18.389  -0.921
  114    H    CYS  15           H        CYS  15 -17.929  16.112  -5.282
  115    HA   CYS  15           HA       CYS  15 -19.869  14.290  -6.551
  116   1HB   CYS  15          HB2       CYS  15 -20.439  16.119  -8.227
  117   2HB   CYS  15          HB3       CYS  15 -21.108  16.313  -6.609
  118    HG   CYS  15           HG       CYS  15 -20.462  18.675  -7.414
  119    H    ARG  16           H        ARG  16 -18.010  16.716  -8.254
  120    HA   ARG  16           HA       ARG  16 -17.177  14.874 -10.216
  121   1HB   ARG  16          HB2       ARG  16 -16.299  17.681  -9.468
  122   2HB   ARG  16          HB3       ARG  16 -15.606  16.857 -10.863
  123   1HG   ARG  16          HG2       ARG  16 -17.590  16.838 -12.063
  124   2HG   ARG  16          HG3       ARG  16 -18.623  16.958 -10.642
  125   1HD   ARG  16          HD2       ARG  16 -16.813  19.228 -11.530
  126   2HD   ARG  16          HD3       ARG  16 -18.461  19.028 -12.132
  127    HE   ARG  16           HE       ARG  16 -18.860  18.942  -9.437
  128   1HH1  ARG  16          HH21      ARG  16 -17.254  21.331 -11.531
  129   2HH1  ARG  16          HH22      ARG  16 -17.338  22.581 -10.323
  130   1HH2  ARG  16          HH11      ARG  16 -19.378  20.746  -8.142
  131   2HH2  ARG  16          HH12      ARG  16 -18.359  22.168  -8.269
  132    H    SER  17           H        SER  17 -15.183  16.171  -7.448
  133    HA   SER  17           HA       SER  17 -12.908  14.703  -8.421
  134   1HB   SER  17          HB2       SER  17 -11.874  15.430  -6.283
  135   2HB   SER  17          HB3       SER  17 -12.533  16.721  -7.255
  136    HG   SER  17           HG       SER  17 -13.114  17.093  -5.188
  137    H    GLN  18           H        GLN  18 -15.584  13.807  -6.307
  138    HA   GLN  18           HA       GLN  18 -14.303  11.450  -5.192
  139   1HB   GLN  18          HB2       GLN  18 -17.244  12.217  -5.607
  140   2HB   GLN  18          HB3       GLN  18 -16.718  10.798  -4.736
  141   1HG   GLN  18          HG2       GLN  18 -15.914  13.621  -3.936
  142   2HG   GLN  18          HG3       GLN  18 -17.353  12.820  -3.333
  143   1HE2  GLN  18          HE22      GLN  18 -15.290  13.736  -1.649
  144   2HE2  GLN  18          HE21      GLN  18 -14.520  12.337  -0.887
  145    H    MET  19           H        MET  19 -16.405  12.107  -8.064
  146    HA   MET  19           HA       MET  19 -16.454   9.363  -8.947
  147   1HB   MET  19          HB2       MET  19 -16.806  11.946 -10.539
  148   2HB   MET  19          HB3       MET  19 -17.121  10.315 -11.143
  149   1HG   MET  19          HG2       MET  19 -18.738  10.025  -9.190
  150   2HG   MET  19          HG3       MET  19 -18.597  11.757  -8.920
  151   1HE   MET  19          HE1       MET  19 -20.138  13.219 -12.257
  152   2HE   MET  19          HE2       MET  19 -19.400  13.612 -10.685
  153   3HE   MET  19          HE3       MET  19 -18.419  12.881 -11.981
  154    H    ALA  20           H        ALA  20 -14.317  12.161  -9.817
  155    HA   ALA  20           HA       ALA  20 -12.700  10.827 -11.675
  156   1HB   ALA  20          HB1       ALA  20 -11.799  12.936  -9.666
  157   2HB   ALA  20          HB2       ALA  20 -11.049  12.550 -11.226
  158   3HB   ALA  20          HB3       ALA  20 -12.659  13.291 -11.180
  159    H    GLU  21           H        GLU  21 -12.341  11.003  -8.112
  160    HA   GLU  21           HA       GLU  21  -9.969   9.548  -7.840
  161   1HB   GLU  21          HB2       GLU  21 -11.066  10.873  -6.064
  162   2HB   GLU  21          HB3       GLU  21 -12.402   9.714  -5.993
  163   1HG   GLU  21          HG2       GLU  21 -10.745   7.949  -5.378
  164   2HG   GLU  21          HG3       GLU  21  -9.505   9.218  -5.290
  165    H    GLY  22           H        GLY  22 -13.387   8.384  -7.851
  166   1HA   GLY  22          HA1       GLY  22 -12.938   5.632  -7.613
  167   2HA   GLY  22          HA2       GLY  22 -14.306   6.389  -8.434
  168    H    TRP  23           H        TRP  23 -13.192   7.544 -10.749
  169    HA   TRP  23           HA       TRP  23 -12.730   5.170 -12.331
  170   1HB   TRP  23          HB2       TRP  23 -12.293   8.096 -13.016
  171   2HB   TRP  23          HB3       TRP  23 -12.077   6.774 -14.146
  172    HD1  TRP  23           HD1      TRP  23 -14.729   8.852 -12.511
  173    HE1  TRP  23           HE1      TRP  23 -16.946   8.546 -13.685
  174    HE3  TRP  23           HE3      TRP  23 -13.587   4.731 -15.351
  175    HZ2  TRP  23           HZ2      TRP  23 -18.072   6.844 -15.701
  176    HZ3  TRP  23           HZ3      TRP  23 -15.262   3.852 -16.958
  177    HH2  TRP  23           HH2      TRP  23 -17.522   4.950 -17.141
  178    H    ALA  24           H        ALA  24 -10.478   7.617 -10.926
  179    HA   ALA  24           HA       ALA  24  -8.249   6.689 -12.382
  180   1HB   ALA  24          HB1       ALA  24  -6.897   7.930 -10.706
  181   2HB   ALA  24          HB2       ALA  24  -8.332   8.866 -11.168
  182   3HB   ALA  24          HB3       ALA  24  -8.323   8.019  -9.636
  183    H    LYS  25           H        LYS  25  -9.602   5.498  -9.290
  184    HA   LYS  25           HA       LYS  25  -7.448   3.737  -8.681
  185   1HB   LYS  25          HB2       LYS  25 -10.436   3.589  -8.114
  186   2HB   LYS  25          HB3       LYS  25  -9.295   2.400  -7.474
  187   1HG   LYS  25          HG2       LYS  25  -8.129   4.012  -6.173
  188   2HG   LYS  25          HG3       LYS  25  -8.880   5.373  -7.017
  189   1HD   LYS  25          HD2       LYS  25 -11.088   4.753  -6.106
  190   2HD   LYS  25          HD3       LYS  25 -10.338   3.416  -5.192
  191   1HE   LYS  25          HE2       LYS  25  -8.935   5.020  -3.948
  192   2HE   LYS  25          HE3       LYS  25  -9.512   6.341  -4.969
  193   1HZ   LYS  25          HZ1       LYS  25 -11.781   5.818  -4.103
  194   2HZ   LYS  25          HZ2       LYS  25 -11.060   4.886  -2.935
  195   3HZ   LYS  25          HZ3       LYS  25 -10.762   6.517  -3.061
  196    H    GLN  26           H        GLN  26  -9.904   3.456 -11.178
  197    HA   GLN  26           HA       GLN  26  -9.435   0.574 -11.602
  198   1HB   GLN  26          HB2       GLN  26 -11.208   2.714 -12.806
  199   2HB   GLN  26          HB3       GLN  26 -10.838   1.300 -13.763
  200   1HG   GLN  26          HG2       GLN  26 -12.998   1.339 -12.360
  201   2HG   GLN  26          HG3       GLN  26 -12.039  -0.134 -12.438
  202   1HE2  GLN  26          HE22      GLN  26 -12.157   2.873 -10.293
  203   2HE2  GLN  26          HE21      GLN  26 -12.077   1.933  -8.837
  204    H    TYR  27           H        TYR  27  -8.744   3.678 -13.235
  205    HA   TYR  27           HA       TYR  27  -7.303   2.387 -15.379
  206   1HB   TYR  27          HB2       TYR  27  -7.755   5.259 -14.534
  207   2HB   TYR  27          HB3       TYR  27  -6.743   4.848 -15.918
  208    HD1  TYR  27           HD1      TYR  27  -9.991   5.817 -15.092
  209    HD2  TYR  27           HD2      TYR  27  -7.878   2.984 -17.566
  210    HE1  TYR  27           HE1      TYR  27 -11.942   5.680 -16.594
  211    HE2  TYR  27           HE2      TYR  27  -9.865   2.769 -19.023
  212    HH   TYR  27           HH       TYR  27 -12.882   4.647 -18.468
  213    H    LEU  28           H        LEU  28  -6.266   3.778 -12.291
  214    HA   LEU  28           HA       LEU  28  -3.410   3.589 -13.072
  215   1HB   LEU  28          HB2       LEU  28  -4.655   4.655 -10.517
  216   2HB   LEU  28          HB3       LEU  28  -2.980   4.796 -11.027
  217    HG   LEU  28           HG       LEU  28  -5.355   6.151 -12.365
  218   1HD1  LEU  28          HD11      LEU  28  -4.411   8.199 -11.460
  219   2HD1  LEU  28          HD12      LEU  28  -4.711   7.047 -10.137
  220   3HD1  LEU  28          HD13      LEU  28  -3.059   7.303 -10.741
  221   1HD2  LEU  28          HD21      LEU  28  -3.737   7.357 -13.731
  222   2HD2  LEU  28          HD22      LEU  28  -2.402   6.411 -13.053
  223   3HD2  LEU  28          HD23      LEU  28  -3.642   5.636 -14.067
  224    H    GLY  29           H        GLY  29  -3.115   3.075  -9.935
  225   1HA   GLY  29          HA1       GLY  29  -3.860   0.447  -9.355
  226   2HA   GLY  29          HA2       GLY  29  -2.325   0.364 -10.245
  227    H    ASP  30           H        ASP  30  -1.865  -0.538  -7.890
  228    HA   ASP  30           HA       ASP  30  -1.790   1.245  -5.713
  229   1HB   ASP  30          HB2       ASP  30  -1.812  -1.260  -5.598
  230   2HB   ASP  30          HB3       ASP  30  -0.100  -1.256  -6.052
  231    H    GLU  31           H        GLU  31   0.318   1.111  -8.358
  232    HA   GLU  31           HA       GLU  31   2.763   2.187  -7.388
  233   1HB   GLU  31          HB2       GLU  31   2.236   1.224  -9.668
  234   2HB   GLU  31          HB3       GLU  31   1.243   2.636 -10.004
  235   1HG   GLU  31          HG2       GLU  31   3.357   4.047  -9.734
  236   2HG   GLU  31          HG3       GLU  31   4.262   2.537  -9.642
  237    H    TRP  32           H        TRP  32  -0.389   3.490  -7.248
  238    HA   TRP  32           HA       TRP  32   0.634   6.204  -6.652
  239   1HB   TRP  32          HB2       TRP  32  -2.031   5.587  -7.977
  240   2HB   TRP  32          HB3       TRP  32  -1.305   7.158  -7.721
  241    HD1  TRP  32           HD1      TRP  32  -0.635   3.979  -9.825
  242    HE1  TRP  32           HE1      TRP  32   0.043   4.693 -12.192
  243    HE3  TRP  32           HE3      TRP  32  -0.485   9.056  -9.147
  244    HZ2  TRP  32           HZ2      TRP  32   0.337   7.103 -13.660
  245    HZ3  TRP  32           HZ3      TRP  32  -0.091  10.544 -11.084
  246    HH2  TRP  32           HH2      TRP  32   0.252   9.551 -13.366
  247    H    LYS  33           H        LYS  33  -0.857   7.328  -5.250
  248    HA   LYS  33           HA       LYS  33  -3.000   5.757  -3.911
  249   1HB   LYS  33          HB2       LYS  33  -1.052   7.785  -2.753
  250   2HB   LYS  33          HB3       LYS  33  -2.573   7.377  -1.961
  251   1HG   LYS  33          HG2       LYS  33  -0.392   5.354  -2.598
  252   2HG   LYS  33          HG3       LYS  33  -0.540   6.252  -1.090
  253   1HD   LYS  33          HD2       LYS  33  -1.501   4.248  -0.510
  254   2HD   LYS  33          HD3       LYS  33  -2.896   5.248  -0.855
  255   1HE   LYS  33          HE2       LYS  33  -3.203   2.993  -1.698
  256   2HE   LYS  33          HE3       LYS  33  -3.168   4.106  -3.066
  257   1HZ   LYS  33          HZ1       LYS  33  -1.132   3.299  -3.727
  258   2HZ   LYS  33          HZ2       LYS  33  -0.695   2.743  -2.222
  259   3HZ   LYS  33          HZ3       LYS  33  -1.764   1.919  -3.107
  260    H    VAL  34           H        VAL  34  -4.924   6.804  -3.956
  261    HA   VAL  34           HA       VAL  34  -4.990   9.344  -5.491
  262    HB   VAL  34           HB       VAL  34  -5.456   8.082  -7.223
  263   1HG1  VAL  34          HG11      VAL  34  -6.331   5.683  -5.608
  264   2HG1  VAL  34          HG12      VAL  34  -6.183   5.779  -7.388
  265   3HG1  VAL  34          HG13      VAL  34  -4.752   5.927  -6.387
  266   1HG2  VAL  34          HG21      VAL  34  -7.759   7.538  -7.659
  267   2HG2  VAL  34          HG22      VAL  34  -8.137   7.531  -5.945
  268   3HG2  VAL  34          HG23      VAL  34  -7.690   9.055  -6.741
  269    H    TYR  35           H        TYR  35  -5.954  10.834  -4.413
  270    HA   TYR  35           HA       TYR  35  -8.377  10.203  -2.832
  271   1HB   TYR  35          HB2       TYR  35  -6.850  12.375  -1.606
  272   2HB   TYR  35          HB3       TYR  35  -7.665  11.021  -0.876
  273    HD1  TYR  35           HD1      TYR  35  -4.528  12.531  -1.779
  274    HD2  TYR  35           HD2      TYR  35  -6.364   8.795  -0.640
  275    HE1  TYR  35           HE1      TYR  35  -2.355  11.726  -0.970
  276    HE2  TYR  35           HE2      TYR  35  -4.171   7.958   0.156
  277    HH   TYR  35           HH       TYR  35  -1.918   8.471   0.514
  278    H    SER  36           H        SER  36  -9.481  12.367  -2.245
  279    HA   SER  36           HA       SER  36  -9.061  14.438  -4.309
  280   1HB   SER  36          HB2       SER  36 -11.530  14.542  -4.533
  281   2HB   SER  36          HB3       SER  36 -10.841  13.036  -5.159
  282    HG   SER  36           HG       SER  36 -11.574  11.951  -3.382
  283    H    ALA  37           H        ALA  37  -9.972  16.493  -3.737
  284    HA   ALA  37           HA       ALA  37 -11.117  16.892  -1.081
  285   1HB   ALA  37          HB1       ALA  37  -8.634  18.411  -1.973
  286   2HB   ALA  37          HB2       ALA  37  -9.601  18.671  -0.495
  287   3HB   ALA  37          HB3       ALA  37  -8.694  17.175  -0.687
  288    H    GLY  38           H        GLY  38 -11.296  19.668  -1.215
  289   1HA   GLY  38          HA1       GLY  38 -11.851  20.657  -3.831
  290   2HA   GLY  38          HA2       GLY  38 -13.346  20.229  -2.982
  291    H    ILE  39           H        ILE  39 -13.093  22.768  -3.644
  292    HA   ILE  39           HA       ILE  39 -11.834  24.600  -1.899
  293    HB   ILE  39           HB       ILE  39 -14.293  24.594  -3.647
  294   1HG1  ILE  39          HG12      ILE  39 -13.145  26.371  -4.850
  295   2HG1  ILE  39          HG13      ILE  39 -11.902  26.452  -3.610
  296   1HG2  ILE  39          HG21      ILE  39 -15.116  25.989  -1.847
  297   2HG2  ILE  39          HG22      ILE  39 -13.618  26.955  -1.866
  298   3HG2  ILE  39          HG23      ILE  39 -14.737  26.977  -3.251
  299   1HD1  ILE  39          HD11      ILE  39 -12.373  24.191  -5.585
  300   2HD1  ILE  39          HD12      ILE  39 -11.031  25.335  -5.567
  301   3HD1  ILE  39          HD13      ILE  39 -11.135  24.148  -4.290
  302    H    GLU  40           H        GLU  40 -14.837  22.780  -1.581
  303    HA   GLU  40           HA       GLU  40 -14.638  22.940   1.325
  304   1HB   GLU  40          HB2       GLU  40 -16.967  23.539   1.681
  305   2HB   GLU  40          HB3       GLU  40 -16.115  24.827   0.843
  306   1HG   GLU  40          HG2       GLU  40 -17.120  24.105  -1.319
  307   2HG   GLU  40          HG3       GLU  40 -17.964  22.794  -0.494
  308    H    ALA  41           H        ALA  41 -16.654  21.413   2.124
  309    HA   ALA  41           HA       ALA  41 -17.155  19.134   0.324
  310   1HB   ALA  41          HB1       ALA  41 -15.688  18.905   3.000
  311   2HB   ALA  41          HB2       ALA  41 -16.300  17.552   2.039
  312   3HB   ALA  41          HB3       ALA  41 -14.998  18.572   1.393
  313    H    HIS  42           H        HIS  42 -18.803  17.756   1.252
  314    HA   HIS  42           HA       HIS  42 -20.183  18.662   3.706
  315   1HB   HIS  42          HB2       HIS  42 -21.283  19.891   1.853
  316   2HB   HIS  42          HB3       HIS  42 -21.558  18.374   0.997
  317    HD1  HIS  42           HD1      HIS  42 -22.716  20.140   4.263
  318    HD2  HIS  42           HD2      HIS  42 -23.735  17.028   1.612
  319    HE1  HIS  42           HE1      HIS  42 -25.013  19.314   4.980
  320    H    GLY  43           H        GLY  43 -19.914  16.291   0.997
  321   1HA   GLY  43          HA1       GLY  43 -19.556  13.958   2.398
  322   2HA   GLY  43          HA2       GLY  43 -21.316  14.183   2.349
  323    H    LEU  44           H        LEU  44 -19.327  12.367   0.726
  324    HA   LEU  44           HA       LEU  44 -19.651  13.134  -2.010
  325   1HB   LEU  44          HB2       LEU  44 -19.066  11.050  -2.666
  326   2HB   LEU  44          HB3       LEU  44 -18.093  11.370  -1.235
  327    HG   LEU  44           HG       LEU  44 -20.585   9.649  -1.366
  328   1HD1  LEU  44          HD11      LEU  44 -17.663   8.894  -1.170
  329   2HD1  LEU  44          HD12      LEU  44 -19.026   7.758  -1.175
  330   3HD1  LEU  44          HD13      LEU  44 -18.674   8.723  -2.619
  331   1HD2  LEU  44          HD21      LEU  44 -18.597  10.048   0.920
  332   2HD2  LEU  44          HD22      LEU  44 -20.334  10.455   0.937
  333   3HD2  LEU  44          HD23      LEU  44 -19.827   8.771   0.871
  334    H    ASN  45           H        ASN  45 -21.445  13.555  -3.044
  335    HA   ASN  45           HA       ASN  45 -23.912  13.099  -1.667
  336   1HB   ASN  45          HB2       ASN  45 -24.801  14.729  -2.970
  337   2HB   ASN  45          HB3       ASN  45 -23.111  15.148  -3.167
  338   1HD2  ASN  45          HD22      ASN  45 -22.043  14.401  -5.227
  339   2HD2  ASN  45          HD21      ASN  45 -23.063  14.121  -6.650
  340    HA   PRO  46           HA       PRO  46 -25.512   9.428  -3.336
  341   1HB   PRO  46          HB2       PRO  46 -27.938  10.917  -4.352
  342   2HB   PRO  46          HB3       PRO  46 -27.863   9.421  -3.370
  343   1HG   PRO  46          HG2       PRO  46 -28.425  11.804  -2.200
  344   2HG   PRO  46          HG3       PRO  46 -27.301  10.654  -1.404
  345   1HD   PRO  46          HD2       PRO  46 -26.620  13.092  -3.070
  346   2HD   PRO  46          HD3       PRO  46 -25.919  12.547  -1.514
  347    H    ASN  47           H        ASN  47 -25.777  12.182  -5.681
  348    HA   ASN  47           HA       ASN  47 -26.088  10.452  -7.944
  349   1HB   ASN  47          HB2       ASN  47 -26.431  12.338  -9.020
  350   2HB   ASN  47          HB3       ASN  47 -26.096  13.276  -7.591
  351   1HD2  ASN  47          HD22      ASN  47 -25.191  12.730 -10.828
  352   2HD2  ASN  47          HD21      ASN  47 -23.598  13.452 -10.775
  353    H    ALA  48           H        ALA  48 -23.176  11.568  -6.185
  354    HA   ALA  48           HA       ALA  48 -21.390  10.747  -8.303
  355   1HB   ALA  48          HB1       ALA  48 -19.633  11.053  -6.621
  356   2HB   ALA  48          HB2       ALA  48 -20.774  12.407  -6.562
  357   3HB   ALA  48          HB3       ALA  48 -20.839  11.143  -5.318
  358    H    VAL  49           H        VAL  49 -22.635   9.326  -5.249
  359    HA   VAL  49           HA       VAL  49 -21.104   6.931  -5.428
  360    HB   VAL  49           HB       VAL  49 -23.753   7.321  -3.991
  361   1HG1  VAL  49          HG11      VAL  49 -21.489   5.268  -3.772
  362   2HG1  VAL  49          HG12      VAL  49 -22.838   5.422  -2.614
  363   3HG1  VAL  49          HG13      VAL  49 -23.152   4.952  -4.288
  364   1HG2  VAL  49          HG21      VAL  49 -22.313   7.698  -2.002
  365   2HG2  VAL  49          HG22      VAL  49 -20.876   7.671  -3.045
  366   3HG2  VAL  49          HG23      VAL  49 -22.082   8.965  -3.208
  367    H    LYS  50           H        LYS  50 -24.540   7.629  -6.454
  368    HA   LYS  50           HA       LYS  50 -24.913   4.999  -7.449
  369   1HB   LYS  50          HB2       LYS  50 -26.744   6.606  -6.872
  370   2HB   LYS  50          HB3       LYS  50 -26.358   7.536  -8.333
  371   1HG   LYS  50          HG2       LYS  50 -26.858   5.534  -9.729
  372   2HG   LYS  50          HG3       LYS  50 -27.184   4.588  -8.266
  373   1HD   LYS  50          HD2       LYS  50 -29.075   6.075  -7.714
  374   2HD   LYS  50          HD3       LYS  50 -28.731   7.060  -9.153
  375   1HE   LYS  50          HE2       LYS  50 -29.133   5.085 -10.604
  376   2HE   LYS  50          HE3       LYS  50 -29.455   4.094  -9.176
  377   1HZ   LYS  50          HZ1       LYS  50 -31.371   5.510  -8.708
  378   2HZ   LYS  50          HZ2       LYS  50 -31.076   6.425 -10.032
  379   3HZ   LYS  50          HZ3       LYS  50 -31.500   4.861 -10.194
  380    H    ALA  51           H        ALA  51 -23.779   8.008  -9.109
  381    HA   ALA  51           HA       ALA  51 -23.855   6.961 -11.692
  382   1HB   ALA  51          HB1       ALA  51 -22.052   8.665 -12.204
  383   2HB   ALA  51          HB2       ALA  51 -23.449   9.333 -11.342
  384   3HB   ALA  51          HB3       ALA  51 -21.927   8.991 -10.472
  385    H    MET  52           H        MET  52 -21.185   6.776  -9.279
  386    HA   MET  52           HA       MET  52 -19.502   5.265 -11.085
  387   1HB   MET  52          HB2       MET  52 -19.406   5.743  -8.089
  388   2HB   MET  52          HB3       MET  52 -18.119   4.999  -9.041
  389   1HG   MET  52          HG2       MET  52 -19.149   7.839  -9.287
  390   2HG   MET  52          HG3       MET  52 -17.582   7.328  -8.674
  391   1HE   MET  52          HE1       MET  52 -15.818   5.978 -11.923
  392   2HE   MET  52          HE2       MET  52 -15.606   6.372 -10.205
  393   3HE   MET  52          HE3       MET  52 -16.732   5.097 -10.717
  394    H    LYS  53           H        LYS  53 -21.791   4.379  -8.422
  395    HA   LYS  53           HA       LYS  53 -21.009   1.679  -8.250
  396   1HB   LYS  53          HB2       LYS  53 -22.390   2.998  -6.625
  397   2HB   LYS  53          HB3       LYS  53 -23.743   2.918  -7.767
  398   1HG   LYS  53          HG2       LYS  53 -23.595   0.376  -7.569
  399   2HG   LYS  53          HG3       LYS  53 -22.408   0.607  -6.276
  400   1HD   LYS  53          HD2       LYS  53 -25.225   1.754  -6.352
  401   2HD   LYS  53          HD3       LYS  53 -24.798   0.278  -5.488
  402   1HE   LYS  53          HE2       LYS  53 -23.615   3.030  -4.882
  403   2HE   LYS  53          HE3       LYS  53 -25.052   2.385  -4.094
  404   1HZ   LYS  53          HZ1       LYS  53 -23.693   0.560  -3.236
  405   2HZ   LYS  53          HZ2       LYS  53 -22.328   1.210  -3.896
  406   3HZ   LYS  53          HZ3       LYS  53 -23.120   2.017  -2.754
  407    H    GLU  54           H        GLU  54 -23.332   3.312 -10.412
  408    HA   GLU  54           HA       GLU  54 -24.235   0.927 -11.687
  409   1HB   GLU  54          HB2       GLU  54 -24.318   3.875 -12.425
  410   2HB   GLU  54          HB3       GLU  54 -24.981   2.646 -13.500
  411   1HG   GLU  54          HG2       GLU  54 -25.826   3.037 -10.598
  412   2HG   GLU  54          HG3       GLU  54 -26.666   3.697 -11.995
  413    H    VAL  55           H        VAL  55 -21.250   2.739 -12.113
  414    HA   VAL  55           HA       VAL  55 -20.623   1.427 -14.677
  415    HB   VAL  55           HB       VAL  55 -18.881   3.027 -12.742
  416   1HG1  VAL  55          HG11      VAL  55 -17.283   3.227 -14.601
  417   2HG1  VAL  55          HG12      VAL  55 -17.440   1.559 -14.068
  418   3HG1  VAL  55          HG13      VAL  55 -18.244   2.083 -15.565
  419   1HG2  VAL  55          HG21      VAL  55 -20.047   3.824 -15.453
  420   2HG2  VAL  55          HG22      VAL  55 -20.701   4.345 -13.897
  421   3HG2  VAL  55          HG23      VAL  55 -19.075   4.838 -14.359
  422    H    GLY  56           H        GLY  56 -20.424   0.747 -11.247
  423   1HA   GLY  56          HA1       GLY  56 -20.115  -1.510 -10.476
  424   2HA   GLY  56          HA2       GLY  56 -18.920  -1.791 -11.750
  425    H    ILE  57           H        ILE  57 -18.967   1.273  -9.968
  426    HA   ILE  57           HA       ILE  57 -16.398   0.576  -8.623
  427    HB   ILE  57           HB       ILE  57 -17.221   3.108 -10.076
  428   1HG1  ILE  57          HG12      ILE  57 -15.043   1.099 -10.806
  429   2HG1  ILE  57          HG13      ILE  57 -16.613   1.207 -11.601
  430   1HG2  ILE  57          HG21      ILE  57 -14.917   3.908  -9.527
  431   2HG2  ILE  57          HG22      ILE  57 -15.799   3.540  -8.055
  432   3HG2  ILE  57          HG23      ILE  57 -14.598   2.392  -8.661
  433   1HD1  ILE  57          HD11      ILE  57 -15.030   2.336 -12.974
  434   2HD1  ILE  57          HD12      ILE  57 -16.137   3.531 -12.288
  435   3HD1  ILE  57          HD13      ILE  57 -14.484   3.360 -11.635
  436    H    ASP  58           H        ASP  58 -17.223   0.237  -6.635
  437    HA   ASP  58           HA       ASP  58 -19.523   1.723  -5.663
  438   1HB   ASP  58          HB2       ASP  58 -19.313  -0.663  -5.227
  439   2HB   ASP  58          HB3       ASP  58 -17.816  -0.398  -4.317
  440    H    ILE  59           H        ILE  59 -18.494   3.907  -5.759
  441    HA   ILE  59           HA       ILE  59 -16.277   4.446  -4.014
  442    HB   ILE  59           HB       ILE  59 -16.495   6.736  -4.511
  443   1HG1  ILE  59          HG12      ILE  59 -19.092   6.307  -6.006
  444   2HG1  ILE  59          HG13      ILE  59 -19.038   6.845  -4.333
  445   1HG2  ILE  59          HG21      ILE  59 -17.084   5.205  -7.046
  446   2HG2  ILE  59          HG22      ILE  59 -16.209   6.747  -6.895
  447   3HG2  ILE  59          HG23      ILE  59 -15.511   5.272  -6.220
  448   1HD1  ILE  59          HD11      ILE  59 -19.246   8.813  -5.634
  449   2HD1  ILE  59          HD12      ILE  59 -17.597   8.773  -5.004
  450   3HD1  ILE  59          HD13      ILE  59 -17.901   8.362  -6.703
  451    H    SER  60           H        SER  60 -19.369   3.635  -3.055
  452    HA   SER  60           HA       SER  60 -20.127   5.505  -1.182
  453   1HB   SER  60          HB2       SER  60 -20.174   2.515  -0.613
  454   2HB   SER  60          HB3       SER  60 -21.339   3.748  -0.110
  455    HG   SER  60           HG       SER  60 -21.007   2.405  -2.547
  456    H    ASN  61           H        ASN  61 -17.421   3.273  -1.076
  457    HA   ASN  61           HA       ASN  61 -16.810   3.342   1.698
  458   1HB   ASN  61          HB2       ASN  61 -14.845   2.191   1.133
  459   2HB   ASN  61          HB3       ASN  61 -16.015   1.636  -0.049
  460   1HD2  ASN  61          HD22      ASN  61 -15.713   2.370  -2.369
  461   2HD2  ASN  61          HD21      ASN  61 -14.172   3.033  -2.824
  462    H    GLN  62           H        GLN  62 -16.324   5.793  -0.755
  463    HA   GLN  62           HA       GLN  62 -13.906   6.891   0.370
  464   1HB   GLN  62          HB2       GLN  62 -15.786   8.007  -1.748
  465   2HB   GLN  62          HB3       GLN  62 -14.199   8.654  -1.313
  466   1HG   GLN  62          HG2       GLN  62 -13.163   6.505  -1.988
  467   2HG   GLN  62          HG3       GLN  62 -14.745   5.902  -2.486
  468   1HE2  GLN  62          HE22      GLN  62 -14.773   9.185  -3.447
  469   2HE2  GLN  62          HE21      GLN  62 -14.301   8.863  -5.109
  470    H    THR  63           H        THR  63 -13.988   9.348   0.857
  471    HA   THR  63           HA       THR  63 -16.341  10.298   2.271
  472    HB   THR  63           HB       THR  63 -14.699  10.911   4.224
  473    HG1  THR  63           HG1      THR  63 -12.783  10.133   3.342
  474   1HG2  THR  63          HG21      THR  63 -16.616   9.348   4.453
  475   2HG2  THR  63          HG22      THR  63 -15.562   8.003   3.959
  476   3HG2  THR  63          HG23      THR  63 -15.229   8.897   5.456
  477    H    SER  64           H        SER  64 -15.888  12.709   2.937
  478    HA   SER  64           HA       SER  64 -14.281  13.906   0.769
  479   1HB   SER  64          HB2       SER  64 -16.066  15.687   0.849
  480   2HB   SER  64          HB3       SER  64 -16.607  14.093   0.313
  481    HG   SER  64           HG       SER  64 -16.942  15.165   2.926
  482    H    ASP  65           H        ASP  65 -13.240  15.899   1.139
  483    HA   ASP  65           HA       ASP  65 -13.125  17.068   3.827
  484   1HB   ASP  65          HB2       ASP  65 -11.396  15.190   3.757
  485   2HB   ASP  65          HB3       ASP  65 -10.623  16.052   2.417
  486    H    ILE  66           H        ILE  66 -11.999  19.184   3.730
  487    HA   ILE  66           HA       ILE  66 -12.253  20.423   1.068
  488    HB   ILE  66           HB       ILE  66 -12.283  22.475   2.128
  489   1HG1  ILE  66          HG12      ILE  66 -11.213  21.176   4.660
  490   2HG1  ILE  66          HG13      ILE  66 -10.379  22.344   3.611
  491   1HG2  ILE  66          HG21      ILE  66 -13.692  20.777   4.227
  492   2HG2  ILE  66          HG22      ILE  66 -14.198  22.332   3.539
  493   3HG2  ILE  66          HG23      ILE  66 -14.248  20.858   2.559
  494   1HD1  ILE  66          HD11      ILE  66 -11.168  23.582   5.486
  495   2HD1  ILE  66          HD12      ILE  66 -12.265  23.978   4.131
  496   3HD1  ILE  66          HD13      ILE  66 -12.774  22.834   5.396
  497    H    ILE  67           H        ILE  67 -10.402  21.900   0.458
  498    HA   ILE  67           HA       ILE  67  -8.256  20.294  -0.083
  499    HB   ILE  67           HB       ILE  67  -9.048  22.180  -1.391
  500   1HG1  ILE  67          HG12      ILE  67  -6.054  22.081  -0.852
  501   2HG1  ILE  67          HG13      ILE  67  -6.970  21.049  -1.954
  502   1HG2  ILE  67          HG21      ILE  67  -8.529  24.431  -1.089
  503   2HG2  ILE  67          HG22      ILE  67  -9.118  23.902   0.485
  504   3HG2  ILE  67          HG23      ILE  67  -7.360  24.107   0.204
  505   1HD1  ILE  67          HD11      ILE  67  -7.597  23.202  -3.228
  506   2HD1  ILE  67          HD12      ILE  67  -6.406  24.014  -2.210
  507   3HD1  ILE  67          HD13      ILE  67  -5.900  22.693  -3.293
  508    H    ASP  68           H        ASP  68  -6.973  19.334   1.333
  509    HA   ASP  68           HA       ASP  68  -5.607  20.901   3.441
  510   1HB   ASP  68          HB2       ASP  68  -6.329  18.633   4.003
  511   2HB   ASP  68          HB3       ASP  68  -5.369  17.968   2.676
  512    H    SER  69           H        SER  69  -4.235  22.305   2.450
  513    HA   SER  69           HA       SER  69  -2.938  21.906   0.040
  514   1HB   SER  69          HB2       SER  69  -1.796  23.706   2.167
  515   2HB   SER  69          HB3       SER  69  -1.950  23.989   0.419
  516    HG   SER  69           HG       SER  69  -3.471  25.167   1.719
  517    H    ASP  70           H        ASP  70  -2.092  20.433   3.112
  518    HA   ASP  70           HA       ASP  70   0.740  20.243   2.579
  519   1HB   ASP  70          HB2       ASP  70  -0.141  20.145   4.871
  520   2HB   ASP  70          HB3       ASP  70  -1.010  18.655   4.477
  521    H    ILE  71           H        ILE  71  -2.108  18.210   1.941
  522    HA   ILE  71           HA       ILE  71  -0.602  15.915   0.971
  523    HB   ILE  71           HB       ILE  71  -3.481  16.788   0.511
  524   1HG1  ILE  71          HG12      ILE  71  -2.241  14.528   2.149
  525   2HG1  ILE  71          HG13      ILE  71  -2.872  16.040   2.810
  526   1HG2  ILE  71          HG21      ILE  71  -3.865  14.555  -0.512
  527   2HG2  ILE  71          HG22      ILE  71  -2.719  15.471  -1.461
  528   3HG2  ILE  71          HG23      ILE  71  -2.129  14.191  -0.379
  529   1HD1  ILE  71          HD11      ILE  71  -4.470  13.815   1.494
  530   2HD1  ILE  71          HD12      ILE  71  -4.534  14.368   3.172
  531   3HD1  ILE  71          HD13      ILE  71  -5.145  15.421   1.877
  532    H    LEU  72           H        LEU  72  -2.193  18.748  -0.527
  533    HA   LEU  72           HA       LEU  72  -1.410  18.354  -3.190
  534   1HB   LEU  72          HB2       LEU  72  -2.998  19.962  -2.618
  535   2HB   LEU  72          HB3       LEU  72  -1.968  20.778  -1.475
  536    HG   LEU  72           HG       LEU  72  -1.203  20.796  -4.385
  537   1HD1  LEU  72          HD11      LEU  72  -3.576  21.345  -4.446
  538   2HD1  LEU  72          HD12      LEU  72  -3.391  22.437  -3.068
  539   3HD1  LEU  72          HD13      LEU  72  -2.653  22.843  -4.640
  540   1HD2  LEU  72          HD21      LEU  72  -0.910  22.741  -2.043
  541   2HD2  LEU  72          HD22      LEU  72   0.388  21.897  -2.910
  542   3HD2  LEU  72          HD23      LEU  72  -0.521  23.169  -3.712
  543    H    ASN  73           H        ASN  73   0.459  20.007  -0.570
  544    HA   ASN  73           HA       ASN  73   2.641  20.637  -2.261
  545   1HB   ASN  73          HB2       ASN  73   2.152  20.684   0.703
  546   2HB   ASN  73          HB3       ASN  73   3.822  20.677   0.186
  547   1HD2  ASN  73          HD22      ASN  73   0.799  22.520  -0.022
  548   2HD2  ASN  73          HD21      ASN  73   1.541  23.996  -0.622
  549    H    ASN  74           H        ASN  74   1.838  17.482  -1.230
  550    HA   ASN  74           HA       ASN  74   4.606  16.658  -1.924
  551   1HB   ASN  74          HB2       ASN  74   4.816  15.078  -0.292
  552   2HB   ASN  74          HB3       ASN  74   4.152  16.455   0.591
  553   1HD2  ASN  74          HD22      ASN  74   1.761  16.319   1.172
  554   2HD2  ASN  74          HD21      ASN  74   1.134  14.707   1.444
  555    H    ALA  75           H        ALA  75   1.520  16.634  -3.025
  556    HA   ALA  75           HA       ALA  75   1.259  13.938  -3.897
  557   1HB   ALA  75          HB1       ALA  75  -0.371  14.850  -5.479
  558   2HB   ALA  75          HB2       ALA  75  -0.628  15.549  -3.876
  559   3HB   ALA  75          HB3       ALA  75   0.186  16.503  -5.138
  560    H    ASP  76           H        ASP  76   1.816  13.067  -6.052
  561    HA   ASP  76           HA       ASP  76   4.254  14.221  -7.261
  562   1HB   ASP  76          HB2       ASP  76   3.866  11.757  -7.333
  563   2HB   ASP  76          HB3       ASP  76   2.381  12.028  -8.261
  564    H    LEU  77           H        LEU  77   0.751  14.174  -7.645
  565    HA   LEU  77           HA       LEU  77   0.835  16.236  -9.752
  566   1HB   LEU  77          HB2       LEU  77   0.796  14.164 -10.937
  567   2HB   LEU  77          HB3       LEU  77  -0.403  13.482  -9.831
  568    HG   LEU  77           HG       LEU  77  -2.111  15.069 -10.694
  569   1HD1  LEU  77          HD11      LEU  77  -0.113  15.694 -12.911
  570   2HD1  LEU  77          HD12      LEU  77  -1.763  16.288 -12.763
  571   3HD1  LEU  77          HD13      LEU  77  -0.540  16.849 -11.628
  572   1HD2  LEU  77          HD21      LEU  77  -2.435  13.827 -12.774
  573   2HD2  LEU  77          HD22      LEU  77  -0.704  13.395 -12.792
  574   3HD2  LEU  77          HD23      LEU  77  -1.761  12.743 -11.543
  575    H    VAL  78           H        VAL  78  -0.879  17.548  -9.739
  576    HA   VAL  78           HA       VAL  78  -3.217  17.009  -7.969
  577    HB   VAL  78           HB       VAL  78  -1.827  19.669  -8.541
  578   1HG1  VAL  78          HG11      VAL  78  -3.381  20.604  -6.813
  579   2HG1  VAL  78          HG12      VAL  78  -4.263  19.991  -8.214
  580   3HG1  VAL  78          HG13      VAL  78  -4.213  19.042  -6.710
  581   1HG2  VAL  78          HG21      VAL  78  -0.600  18.186  -6.869
  582   2HG2  VAL  78          HG22      VAL  78  -1.099  19.754  -6.283
  583   3HG2  VAL  78          HG23      VAL  78  -2.024  18.293  -5.824
  584    H    VAL  79           H        VAL  79  -5.206  17.365  -9.130
  585    HA   VAL  79           HA       VAL  79  -4.936  18.817 -11.684
  586    HB   VAL  79           HB       VAL  79  -6.419  17.427 -12.917
  587   1HG1  VAL  79          HG11      VAL  79  -4.971  15.585 -13.412
  588   2HG1  VAL  79          HG12      VAL  79  -3.964  16.965 -12.949
  589   3HG1  VAL  79          HG13      VAL  79  -4.227  15.636 -11.799
  590   1HG2  VAL  79          HG21      VAL  79  -6.417  15.497 -10.557
  591   2HG2  VAL  79          HG22      VAL  79  -7.801  16.432 -11.188
  592   3HG2  VAL  79          HG23      VAL  79  -7.071  15.171 -12.180
  593    H    THR  80           H        THR  80  -6.343  20.372 -11.888
  594    HA   THR  80           HA       THR  80  -8.482  20.620  -9.836
  595    HB   THR  80           HB       THR  80  -8.686  22.939 -10.860
  596    HG1  THR  80           HG1      THR  80  -6.085  22.380 -11.865
  597   1HG2  THR  80          HG21      THR  80  -6.611  23.760  -9.680
  598   2HG2  THR  80          HG22      THR  80  -7.591  22.636  -8.722
  599   3HG2  THR  80          HG23      THR  80  -6.095  22.075  -9.489
  600    H    LEU  81           H        LEU  81 -10.570  20.357 -10.441
  601    HA   LEU  81           HA       LEU  81 -10.998  19.219 -13.153
  602   1HB   LEU  81          HB2       LEU  81 -12.457  18.842 -10.515
  603   2HB   LEU  81          HB3       LEU  81 -12.893  18.044 -12.022
  604    HG   LEU  81           HG       LEU  81 -10.238  17.678 -10.558
  605   1HD1  LEU  81          HD11      LEU  81 -12.107  16.707  -9.350
  606   2HD1  LEU  81          HD12      LEU  81 -12.669  15.855 -10.804
  607   3HD1  LEU  81          HD13      LEU  81 -11.119  15.423 -10.055
  608   1HD2  LEU  81          HD21      LEU  81  -9.888  17.316 -12.930
  609   2HD2  LEU  81          HD22      LEU  81  -9.970  15.742 -12.141
  610   3HD2  LEU  81          HD23      LEU  81 -11.375  16.336 -13.047
  611    H    CYS  82           H        CYS  82 -11.583  22.223 -11.842
  612    HA   CYS  82           HA       CYS  82 -13.518  22.684 -13.894
  613   1HB   CYS  82          HB2       CYS  82 -15.281  23.679 -12.523
  614   2HB   CYS  82          HB3       CYS  82 -15.072  21.962 -12.166
  615    HG   CYS  82           HG       CYS  82 -15.541  23.427  -9.906
  616    H    GLY  83           H        GLY  83 -13.899  25.047 -14.163
  617   1HA   GLY  83          HA1       GLY  83 -11.459  26.330 -14.459
  618   2HA   GLY  83          HA2       GLY  83 -13.037  27.111 -14.537
  619    H    ASP  84           H        ASP  84 -14.024  27.066 -12.034
  620    HA   ASP  84           HA       ASP  84 -12.608  29.241 -10.879
  621   1HB   ASP  84          HB2       ASP  84 -15.049  28.969 -10.761
  622   2HB   ASP  84          HB3       ASP  84 -14.853  27.554  -9.726
  623    H    ALA  85           H        ALA  85 -12.550  25.757 -10.102
  624    HA   ALA  85           HA       ALA  85 -11.596  26.023  -7.461
  625   1HB   ALA  85          HB1       ALA  85 -12.473  23.899  -8.267
  626   2HB   ALA  85          HB2       ALA  85 -11.164  23.763  -9.472
  627   3HB   ALA  85          HB3       ALA  85 -10.811  23.662  -7.737
  628    H    ALA  86           H        ALA  86  -9.892  26.245 -10.524
  629    HA   ALA  86           HA       ALA  86  -7.245  25.823  -9.547
  630   1HB   ALA  86          HB1       ALA  86  -8.232  27.455 -11.911
  631   2HB   ALA  86          HB2       ALA  86  -6.573  26.864 -11.664
  632   3HB   ALA  86          HB3       ALA  86  -7.895  25.701 -11.913
  633    H    ASP  87           H        ASP  87  -9.393  28.628  -9.293
  634    HA   ASP  87           HA       ASP  87  -7.387  30.614  -8.837
  635   1HB   ASP  87          HB2       ASP  87  -9.801  31.110  -9.285
  636   2HB   ASP  87          HB3       ASP  87 -10.201  30.413  -7.701
  637    H    LYS  88           H        LYS  88  -9.005  28.212  -6.814
  638    HA   LYS  88           HA       LYS  88  -7.933  29.320  -4.297
  639   1HB   LYS  88          HB2       LYS  88 -10.166  28.250  -4.314
  640   2HB   LYS  88          HB3       LYS  88  -9.450  26.754  -4.925
  641   1HG   LYS  88          HG2       LYS  88  -9.944  26.546  -2.584
  642   2HG   LYS  88          HG3       LYS  88  -8.208  26.450  -2.825
  643   1HD   LYS  88          HD2       LYS  88  -7.925  28.758  -2.019
  644   2HD   LYS  88          HD3       LYS  88  -9.692  28.988  -1.972
  645   1HE   LYS  88          HE2       LYS  88  -9.887  27.173  -0.316
  646   2HE   LYS  88          HE3       LYS  88  -8.134  26.928  -0.353
  647   1HZ   LYS  88          HZ1       LYS  88  -9.491  29.407   0.561
  648   2HZ   LYS  88          HZ2       LYS  88  -8.795  28.299   1.530
  649   3HZ   LYS  88          HZ3       LYS  88  -7.871  29.185   0.524
  650    H    CYS  89           H        CYS  89  -7.354  26.553  -6.432
  651    HA   CYS  89           HA       CYS  89  -5.857  24.946  -4.901
  652   1HB   CYS  89          HB2       CYS  89  -6.621  24.505  -7.205
  653   2HB   CYS  89          HB3       CYS  89  -5.259  25.456  -7.825
  654    HG   CYS  89           HG       CYS  89  -4.755  22.908  -8.085
  655    HA   PRO  90           HA       PRO  90  -2.634  27.907  -3.815
  656   1HB   PRO  90          HB2       PRO  90  -1.460  26.548  -1.747
  657   2HB   PRO  90          HB3       PRO  90  -3.029  27.415  -1.670
  658   1HG   PRO  90          HG2       PRO  90  -2.561  24.459  -2.056
  659   2HG   PRO  90          HG3       PRO  90  -3.766  25.269  -0.994
  660   1HD   PRO  90          HD2       PRO  90  -4.403  24.307  -3.454
  661   2HD   PRO  90          HD3       PRO  90  -5.165  25.765  -2.754
  662    H    MET  91           H        MET  91  -0.100  27.762  -3.407
  663    HA   MET  91           HA       MET  91   0.948  27.129  -5.920
  664   1HB   MET  91          HB2       MET  91   2.361  27.649  -3.271
  665   2HB   MET  91          HB3       MET  91   3.193  27.533  -4.819
  666   1HG   MET  91          HG2       MET  91   1.052  29.562  -4.088
  667   2HG   MET  91          HG3       MET  91   2.780  29.868  -4.189
  668   1HE   MET  91          HE1       MET  91   3.511  29.790  -8.028
  669   2HE   MET  91          HE2       MET  91   4.170  30.045  -6.397
  670   3HE   MET  91          HE3       MET  91   3.694  28.413  -6.925
  671    H    THR  92           H        THR  92   1.936  25.478  -6.803
  672    HA   THR  92           HA       THR  92   2.422  22.986  -5.256
  673    HB   THR  92           HB       THR  92   1.916  21.923  -7.575
  674    HG1  THR  92           HG1      THR  92   1.841  23.869  -8.772
  675   1HG2  THR  92          HG21      THR  92  -0.463  21.880  -7.169
  676   2HG2  THR  92          HG22      THR  92   0.431  21.735  -5.648
  677   3HG2  THR  92          HG23      THR  92  -0.343  23.273  -6.073
  678    HA   PRO  93           HA       PRO  93   6.530  24.369  -6.709
  679   1HB   PRO  93          HB2       PRO  93   8.090  22.694  -5.176
  680   2HB   PRO  93          HB3       PRO  93   7.291  24.160  -4.537
  681   1HG   PRO  93          HG2       PRO  93   6.337  21.291  -4.382
  682   2HG   PRO  93          HG3       PRO  93   6.416  22.504  -3.065
  683   1HD   PRO  93          HD2       PRO  93   4.117  21.987  -4.435
  684   2HD   PRO  93          HD3       PRO  93   4.511  23.639  -3.872
  685    HA   PRO  94           HA       PRO  94   7.546  21.594  -9.963
  686   1HB   PRO  94          HB2       PRO  94  10.318  21.204  -8.808
  687   2HB   PRO  94          HB3       PRO  94   9.845  21.526 -10.509
  688   1HG   PRO  94          HG2       PRO  94  10.745  23.552  -8.961
  689   2HG   PRO  94          HG3       PRO  94   9.301  23.805  -9.997
  690   1HD   PRO  94          HD2       PRO  94   9.416  23.242  -7.033
  691   2HD   PRO  94          HD3       PRO  94   8.379  24.391  -7.929
  692    H    HIS  95           H        HIS  95   8.297  20.254  -6.764
  693    HA   HIS  95           HA       HIS  95   8.520  17.504  -7.528
  694   1HB   HIS  95          HB2       HIS  95   7.500  18.694  -4.917
  695   2HB   HIS  95          HB3       HIS  95   8.118  17.063  -5.156
  696    HD1  HIS  95           HD1      HIS  95  10.898  17.226  -6.220
  697    HD2  HIS  95           HD2      HIS  95   9.240  20.276  -3.830
  698    HE1  HIS  95           HE1      HIS  95  12.859  18.547  -5.281
  699    H    VAL  96           H        VAL  96   5.853  19.593  -7.727
  700    HA   VAL  96           HA       VAL  96   3.779  17.466  -7.603
  701    HB   VAL  96           HB       VAL  96   3.550  20.383  -6.692
  702   1HG1  VAL  96          HG11      VAL  96   1.735  18.001  -6.241
  703   2HG1  VAL  96          HG12      VAL  96   1.449  19.678  -5.746
  704   3HG1  VAL  96          HG13      VAL  96   1.481  19.269  -7.460
  705   1HG2  VAL  96          HG21      VAL  96   5.067  19.423  -5.098
  706   2HG2  VAL  96          HG22      VAL  96   3.472  19.618  -4.372
  707   3HG2  VAL  96          HG23      VAL  96   4.022  18.012  -4.873
  708    H    LYS  97           H        LYS  97   3.603  17.205  -9.871
  709    HA   LYS  97           HA       LYS  97   3.567  19.589 -11.581
  710   1HB   LYS  97          HB2       LYS  97   3.437  18.179 -13.415
  711   2HB   LYS  97          HB3       LYS  97   4.513  17.375 -12.289
  712   1HG   LYS  97          HG2       LYS  97   2.111  16.187 -11.641
  713   2HG   LYS  97          HG3       LYS  97   1.866  16.572 -13.357
  714   1HD   LYS  97          HD2       LYS  97   4.108  15.426 -13.808
  715   2HD   LYS  97          HD3       LYS  97   4.098  14.935 -12.103
  716   1HE   LYS  97          HE2       LYS  97   1.723  13.948 -12.660
  717   2HE   LYS  97          HE3       LYS  97   2.214  14.090 -14.353
  718   1HZ   LYS  97          HZ1       LYS  97   2.762  11.916 -13.513
  719   2HZ   LYS  97          HZ2       LYS  97   4.183  12.699 -13.703
  720   3HZ   LYS  97          HZ3       LYS  97   3.528  12.520 -12.196
  721    H    ARG  98           H        ARG  98   1.561  19.895 -12.983
  722    HA   ARG  98           HA       ARG  98  -0.912  19.611 -11.391
  723   1HB   ARG  98          HB2       ARG  98   0.305  21.550 -10.577
  724   2HB   ARG  98          HB3       ARG  98   0.419  22.223 -12.201
  725   1HG   ARG  98          HG2       ARG  98  -1.863  22.840 -12.252
  726   2HG   ARG  98          HG3       ARG  98  -2.300  21.727 -10.923
  727   1HD   ARG  98          HD2       ARG  98  -1.115  22.974  -9.312
  728   2HD   ARG  98          HD3       ARG  98  -0.275  23.961 -10.523
  729    HE   ARG  98           HE       ARG  98  -2.876  24.672 -10.896
  730   1HH1  ARG  98          HH11      ARG  98  -0.674  24.496  -8.115
  731   2HH1  ARG  98          HH12      ARG  98  -1.572  25.590  -7.119
  732   1HH2  ARG  98          HH21      ARG  98  -3.821  26.517  -9.734
  733   2HH2  ARG  98          HH22      ARG  98  -3.312  26.838  -8.105
  734    H    GLU  99           H        GLU  99  -2.782  19.732 -12.628
  735    HA   GLU  99           HA       GLU  99  -2.614  20.439 -15.479
  736   1HB   GLU  99          HB2       GLU  99  -2.593  17.728 -14.566
  737   2HB   GLU  99          HB3       GLU  99  -4.230  18.021 -15.138
  738   1HG   GLU  99          HG2       GLU  99  -1.702  18.591 -16.749
  739   2HG   GLU  99          HG3       GLU  99  -2.589  17.069 -16.791
  740    H    HIS 100           H        HIS 100  -4.902  20.558 -16.364
  741    HA   HIS 100           HA       HIS 100  -6.859  21.441 -14.304
  742   1HB   HIS 100          HB2       HIS 100  -5.377  23.356 -14.798
  743   2HB   HIS 100          HB3       HIS 100  -5.702  23.183 -16.526
  744    HD1  HIS 100           HD1      HIS 100  -7.792  23.702 -13.303
  745    HD2  HIS 100           HD2      HIS 100  -7.667  24.713 -17.386
  746    HE1  HIS 100           HE1      HIS 100  -9.742  25.298 -13.704
  747    H    TRP 101           H        TRP 101  -8.635  20.382 -14.823
  748    HA   TRP 101           HA       TRP 101  -9.524  20.227 -17.664
  749   1HB   TRP 101          HB2       TRP 101 -10.222  18.287 -15.441
  750   2HB   TRP 101          HB3       TRP 101 -10.627  18.164 -17.152
  751    HD1  TRP 101           HD1      TRP 101  -7.576  18.841 -18.162
  752    HE1  TRP 101           HE1      TRP 101  -5.720  17.152 -17.938
  753    HE3  TRP 101           HE3      TRP 101  -9.800  15.720 -14.778
  754    HZ2  TRP 101           HZ2      TRP 101  -5.241  14.677 -16.479
  755    HZ3  TRP 101           HZ3      TRP 101  -8.626  13.691 -13.998
  756    HH2  TRP 101           HH2      TRP 101  -6.337  13.158 -14.828
  757    H    GLY 102           H        GLY 102 -12.088  20.124 -17.668
  758   1HA   GLY 102          HA1       GLY 102 -13.055  22.228 -15.771
  759   2HA   GLY 102          HA2       GLY 102 -13.151  22.413 -17.503
  760    H    PHE 103           H        PHE 103 -14.673  21.066 -14.693
  761    HA   PHE 103           HA       PHE 103 -16.893  20.101 -16.386
  762   1HB   PHE 103          HB2       PHE 103 -15.695  18.780 -13.927
  763   2HB   PHE 103          HB3       PHE 103 -17.228  18.314 -14.661
  764    HD1  PHE 103           HD1      PHE 103 -13.571  18.130 -14.975
  765    HD2  PHE 103           HD2      PHE 103 -17.314  17.478 -17.019
  766    HE1  PHE 103           HE1      PHE 103 -12.393  16.839 -16.737
  767    HE2  PHE 103           HE2      PHE 103 -16.137  16.227 -18.784
  768    HZ   PHE 103           HZ       PHE 103 -13.663  15.895 -18.655
  769    H    ASP 104           H        ASP 104 -18.664  21.113 -16.105
  770    HA   ASP 104           HA       ASP 104 -19.321  22.818 -13.864
  771   1HB   ASP 104          HB2       ASP 104 -20.212  23.130 -16.177
  772   2HB   ASP 104          HB3       ASP 104 -21.031  21.564 -16.046
  773    H    ASP 105           H        ASP 105 -21.135  22.366 -12.378
  774    HA   ASP 105           HA       ASP 105 -20.653  19.830 -11.143
  775   1HB   ASP 105          HB2       ASP 105 -21.115  21.968  -9.925
  776   2HB   ASP 105          HB3       ASP 105 -22.819  21.801 -10.379
  777    HA   PRO 106           HA       PRO 106 -23.819  17.814 -13.518
  778   1HB   PRO 106          HB2       PRO 106 -23.659  15.248 -12.535
  779   2HB   PRO 106          HB3       PRO 106 -22.411  15.967 -13.594
  780   1HG   PRO 106          HG2       PRO 106 -22.397  15.764 -10.567
  781   2HG   PRO 106          HG3       PRO 106 -21.081  15.358 -11.713
  782   1HD   PRO 106          HD2       PRO 106 -21.180  17.754 -10.416
  783   2HD   PRO 106          HD3       PRO 106 -20.584  17.624 -12.102
  784    H    ALA 107           H        ALA 107 -23.908  17.739  -9.947
  785    HA   ALA 107           HA       ALA 107 -26.425  16.396  -9.801
  786   1HB   ALA 107          HB1       ALA 107 -24.804  16.399  -7.945
  787   2HB   ALA 107          HB2       ALA 107 -25.046  18.148  -7.729
  788   3HB   ALA 107          HB3       ALA 107 -26.382  17.022  -7.428
  789    H    ARG 108           H        ARG 108 -25.594  19.682 -10.509
  790    HA   ARG 108           HA       ARG 108 -28.316  20.696  -9.894
  791   1HB   ARG 108          HB2       ARG 108 -25.706  22.100 -10.655
  792   2HB   ARG 108          HB3       ARG 108 -27.264  22.910 -10.536
  793   1HG   ARG 108          HG2       ARG 108 -26.357  23.358  -8.486
  794   2HG   ARG 108          HG3       ARG 108 -27.437  21.996  -8.151
  795   1HD   ARG 108          HD2       ARG 108 -25.457  20.470  -8.201
  796   2HD   ARG 108          HD3       ARG 108 -24.412  21.870  -8.510
  797    HE   ARG 108           HE       ARG 108 -25.815  22.473  -6.190
  798   1HH1  ARG 108          HH21      ARG 108 -23.536  19.933  -7.241
  799   2HH1  ARG 108          HH22      ARG 108 -22.966  19.607  -5.642
  800   1HH2  ARG 108          HH11      ARG 108 -25.037  22.030  -4.069
  801   2HH2  ARG 108          HH12      ARG 108 -23.844  20.818  -3.803
  802    H    ALA 109           H        ALA 109 -26.914  19.087 -12.485
  803    HA   ALA 109           HA       ALA 109 -27.804  20.627 -14.687
  804   1HB   ALA 109          HB1       ALA 109 -26.283  18.642 -14.856
  805   2HB   ALA 109          HB2       ALA 109 -27.631  17.592 -14.354
  806   3HB   ALA 109          HB3       ALA 109 -27.726  18.473 -15.891
  807    H    GLN 110           H        GLN 110 -29.825  20.558 -15.751
  808    HA   GLN 110           HA       GLN 110 -32.093  19.217 -14.463
  809   1HB   GLN 110          HB2       GLN 110 -33.217  21.317 -13.834
  810   2HB   GLN 110          HB3       GLN 110 -31.722  21.058 -12.952
  811   1HG   GLN 110          HG2       GLN 110 -30.598  22.645 -14.670
  812   2HG   GLN 110          HG3       GLN 110 -32.236  23.041 -15.201
  813   1HE2  GLN 110          HE22      GLN 110 -30.096  22.895 -12.310
  814   2HE2  GLN 110          HE21      GLN 110 -30.860  24.224 -11.452
  815    H    GLY 111           H        GLY 111 -34.155  19.824 -15.507
  816   1HA   GLY 111          HA1       GLY 111 -34.936  21.147 -17.636
  817   2HA   GLY 111          HA2       GLY 111 -33.876  19.965 -18.445
  818    H    THR 112           H        THR 112 -34.170  17.708 -16.988
  819    HA   THR 112           HA       THR 112 -36.707  17.050 -16.006
  820    HB   THR 112           HB       THR 112 -37.487  16.972 -18.291
  821    HG1  THR 112           HG1      THR 112 -38.349  15.316 -17.270
  822   1HG2  THR 112          HG21      THR 112 -35.473  16.832 -19.601
  823   2HG2  THR 112          HG22      THR 112 -35.094  15.227 -18.939
  824   3HG2  THR 112          HG23      THR 112 -36.503  15.453 -19.996
  825    H    GLU 113           H        GLU 113 -36.562  14.591 -15.397
  826    HA   GLU 113           HA       GLU 113 -34.142  14.236 -13.963
  827   1HB   GLU 113          HB2       GLU 113 -36.245  13.251 -13.246
  828   2HB   GLU 113          HB3       GLU 113 -36.349  12.274 -14.718
  829   1HG   GLU 113          HG2       GLU 113 -34.377  10.989 -14.079
  830   2HG   GLU 113          HG3       GLU 113 -34.096  12.034 -12.679
  831    H    GLU 114           H        GLU 114 -35.222  12.909 -17.086
  832    HA   GLU 114           HA       GLU 114 -32.922  11.239 -17.383
  833   1HB   GLU 114          HB2       GLU 114 -33.643  10.878 -19.674
  834   2HB   GLU 114          HB3       GLU 114 -34.976  10.700 -18.535
  835   1HG   GLU 114          HG2       GLU 114 -35.819  12.943 -19.139
  836   2HG   GLU 114          HG3       GLU 114 -34.467  13.164 -20.259
  837    H    GLU 115           H        GLU 115 -33.434  14.663 -18.018
  838    HA   GLU 115           HA       GLU 115 -31.144  14.934 -19.756
  839   1HB   GLU 115          HB2       GLU 115 -33.098  16.501 -19.794
  840   2HB   GLU 115          HB3       GLU 115 -32.652  17.054 -18.178
  841   1HG   GLU 115          HG2       GLU 115 -31.843  18.663 -19.720
  842   2HG   GLU 115          HG3       GLU 115 -30.437  17.814 -19.097
  843    H    LYS 116           H        LYS 116 -31.929  15.496 -16.300
  844    HA   LYS 116           HA       LYS 116 -29.363  16.300 -15.425
  845   1HB   LYS 116          HB2       LYS 116 -31.292  16.613 -14.037
  846   2HB   LYS 116          HB3       LYS 116 -31.690  14.893 -14.070
  847   1HG   LYS 116          HG2       LYS 116 -29.758  14.326 -12.771
  848   2HG   LYS 116          HG3       LYS 116 -29.158  15.995 -12.793
  849   1HD   LYS 116          HD2       LYS 116 -31.911  15.432 -11.677
  850   2HD   LYS 116          HD3       LYS 116 -30.490  14.953 -10.730
  851   1HE   LYS 116          HE2       LYS 116 -29.637  17.346 -10.999
  852   2HE   LYS 116          HE3       LYS 116 -31.227  17.746 -11.653
  853   1HZ   LYS 116          HZ1       LYS 116 -32.203  17.033  -9.545
  854   2HZ   LYS 116          HZ2       LYS 116 -30.723  16.661  -8.944
  855   3HZ   LYS 116          HZ3       LYS 116 -31.092  18.203  -9.296
  856    H    TRP 117           H        TRP 117 -30.782  13.002 -15.613
  857    HA   TRP 117           HA       TRP 117 -28.389  11.699 -14.769
  858   1HB   TRP 117          HB2       TRP 117 -30.609  10.621 -14.765
  859   2HB   TRP 117          HB3       TRP 117 -30.615  10.610 -16.529
  860    HD1  TRP 117           HD1      TRP 117 -29.077   8.831 -17.745
  861    HE1  TRP 117           HE1      TRP 117 -27.955   6.639 -16.969
  862    HE3  TRP 117           HE3      TRP 117 -29.183   9.601 -12.690
  863    HZ2  TRP 117           HZ2      TRP 117 -27.089   5.468 -14.517
  864    HZ3  TRP 117           HZ3      TRP 117 -28.059   8.009 -11.164
  865    HH2  TRP 117           HH2      TRP 117 -27.021   5.931 -12.049
  866    H    ALA 118           H        ALA 118 -29.538  12.587 -18.099
  867    HA   ALA 118           HA       ALA 118 -27.410  11.353 -19.477
  868   1HB   ALA 118          HB1       ALA 118 -29.375  12.255 -20.626
  869   2HB   ALA 118          HB2       ALA 118 -28.929  13.910 -20.158
  870   3HB   ALA 118          HB3       ALA 118 -27.902  12.998 -21.276
  871    H    PHE 119           H        PHE 119 -27.534  14.490 -17.760
  872    HA   PHE 119           HA       PHE 119 -24.930  15.337 -18.591
  873   1HB   PHE 119          HB2       PHE 119 -26.929  16.632 -17.461
  874   2HB   PHE 119          HB3       PHE 119 -26.170  16.134 -15.959
  875    HD1  PHE 119           HD1      PHE 119 -26.139  18.462 -18.727
  876    HD2  PHE 119           HD2      PHE 119 -23.714  16.844 -15.549
  877    HE1  PHE 119           HE1      PHE 119 -24.652  20.442 -18.850
  878    HE2  PHE 119           HE2      PHE 119 -22.251  18.854 -15.646
  879    HZ   PHE 119           HZ       PHE 119 -22.711  20.642 -17.315
  880    H    PHE 120           H        PHE 120 -26.117  13.451 -15.729
  881    HA   PHE 120           HA       PHE 120 -23.610  13.090 -14.446
  882   1HB   PHE 120          HB2       PHE 120 -25.786  10.991 -14.668
  883   2HB   PHE 120          HB3       PHE 120 -24.470  11.054 -13.518
  884    HD1  PHE 120           HD1      PHE 120 -25.643  14.403 -13.476
  885    HD2  PHE 120           HD2      PHE 120 -26.739  10.378 -12.352
  886    HE1  PHE 120           HE1      PHE 120 -27.157  15.275 -11.739
  887    HE2  PHE 120           HE2      PHE 120 -28.298  11.276 -10.658
  888    HZ   PHE 120           HZ       PHE 120 -28.483  13.733 -10.321
  889    H    GLN 121           H        GLN 121 -25.139  11.313 -17.209
  890    HA   GLN 121           HA       GLN 121 -23.085   9.344 -17.499
  891   1HB   GLN 121          HB2       GLN 121 -25.030  10.496 -19.535
  892   2HB   GLN 121          HB3       GLN 121 -23.924   9.191 -19.888
  893   1HG   GLN 121          HG2       GLN 121 -26.022   9.071 -17.684
  894   2HG   GLN 121          HG3       GLN 121 -26.286   8.503 -19.324
  895   1HE2  GLN 121          HE22      GLN 121 -25.599   7.369 -16.316
  896   2HE2  GLN 121          HE21      GLN 121 -24.668   5.948 -16.735
  897    H    ARG 122           H        ARG 122 -23.517  12.523 -19.121
  898    HA   ARG 122           HA       ARG 122 -21.174  12.309 -20.715
  899   1HB   ARG 122          HB2       ARG 122 -22.865  14.648 -19.796
  900   2HB   ARG 122          HB3       ARG 122 -21.265  14.976 -20.446
  901   1HG   ARG 122          HG2       ARG 122 -22.761  15.170 -22.262
  902   2HG   ARG 122          HG3       ARG 122 -21.812  13.698 -22.508
  903   1HD   ARG 122          HD2       ARG 122 -23.753  12.383 -21.565
  904   2HD   ARG 122          HD3       ARG 122 -24.676  13.904 -21.504
  905    HE   ARG 122           HE       ARG 122 -23.784  13.719 -24.114
  906   1HH1  ARG 122          HH11      ARG 122 -25.746  11.706 -21.969
  907   2HH1  ARG 122          HH12      ARG 122 -26.696  11.005 -23.234
  908   1HH2  ARG 122          HH21      ARG 122 -25.049  12.807 -25.821
  909   2HH2  ARG 122          HH22      ARG 122 -26.291  11.665 -25.478
  910    H    VAL 123           H        VAL 123 -21.563  13.868 -17.476
  911    HA   VAL 123           HA       VAL 123 -18.796  14.583 -17.414
  912    HB   VAL 123           HB       VAL 123 -20.850  14.371 -15.169
  913   1HG1  VAL 123          HG11      VAL 123 -18.093  15.688 -15.140
  914   2HG1  VAL 123          HG12      VAL 123 -19.330  15.864 -13.878
  915   3HG1  VAL 123          HG13      VAL 123 -18.591  14.286 -14.174
  916   1HG2  VAL 123          HG21      VAL 123 -20.889  16.865 -15.390
  917   2HG2  VAL 123          HG22      VAL 123 -19.768  16.762 -16.753
  918   3HG2  VAL 123          HG23      VAL 123 -21.398  16.083 -16.890
  919    H    ARG 124           H        ARG 124 -20.458  11.629 -15.912
  920    HA   ARG 124           HA       ARG 124 -17.970  10.789 -14.852
  921   1HB   ARG 124          HB2       ARG 124 -18.911   8.615 -14.480
  922   2HB   ARG 124          HB3       ARG 124 -20.190   9.797 -14.168
  923   1HG   ARG 124          HG2       ARG 124 -21.045   9.234 -16.529
  924   2HG   ARG 124          HG3       ARG 124 -19.838   7.962 -16.581
  925   1HD   ARG 124          HD2       ARG 124 -21.681   6.794 -15.914
  926   2HD   ARG 124          HD3       ARG 124 -20.907   7.126 -14.354
  927    HE   ARG 124           HE       ARG 124 -22.654   9.264 -14.848
  928   1HH1  ARG 124          HH21      ARG 124 -22.860   5.789 -14.152
  929   2HH1  ARG 124          HH22      ARG 124 -24.557   5.762 -13.885
  930   1HH2  ARG 124          HH11      ARG 124 -24.936   9.276 -14.230
  931   2HH2  ARG 124          HH12      ARG 124 -25.715   7.827 -13.732
  932    H    ASP 125           H        ASP 125 -19.428  10.174 -18.050
  933    HA   ASP 125           HA       ASP 125 -17.525   8.283 -18.929
  934   1HB   ASP 125          HB2       ASP 125 -19.596   8.676 -20.155
  935   2HB   ASP 125          HB3       ASP 125 -19.101  10.333 -20.530
  936    H    GLU 126           H        GLU 126 -17.515  11.901 -19.173
  937    HA   GLU 126           HA       GLU 126 -15.007  11.887 -20.514
  938   1HB   GLU 126          HB2       GLU 126 -16.777  14.009 -19.379
  939   2HB   GLU 126          HB3       GLU 126 -15.091  14.409 -19.732
  940   1HG   GLU 126          HG2       GLU 126 -16.801  13.038 -21.809
  941   2HG   GLU 126          HG3       GLU 126 -16.848  14.782 -21.573
  942    H    ILE 127           H        ILE 127 -15.875  12.173 -17.030
  943    HA   ILE 127           HA       ILE 127 -13.207  12.871 -16.248
  944    HB   ILE 127           HB       ILE 127 -15.642  12.654 -14.924
  945   1HG1  ILE 127          HG12      ILE 127 -14.322  13.208 -12.824
  946   2HG1  ILE 127          HG13      ILE 127 -12.850  13.046 -13.800
  947   1HG2  ILE 127          HG21      ILE 127 -13.893  10.570 -13.673
  948   2HG2  ILE 127          HG22      ILE 127 -15.417  11.227 -13.029
  949   3HG2  ILE 127          HG23      ILE 127 -15.439  10.322 -14.545
  950   1HD1  ILE 127          HD11      ILE 127 -13.687  14.811 -15.308
  951   2HD1  ILE 127          HD12      ILE 127 -15.222  14.875 -14.409
  952   3HD1  ILE 127          HD13      ILE 127 -13.706  15.400 -13.628
  953    H    GLY 128           H        GLY 128 -14.848   9.736 -16.745
  954   1HA   GLY 128          HA1       GLY 128 -12.650   8.050 -16.093
  955   2HA   GLY 128          HA2       GLY 128 -13.992   7.671 -17.200
  956    H    ASN 129           H        ASN 129 -13.672   9.572 -19.190
  957    HA   ASN 129           HA       ASN 129 -11.623   8.537 -20.812
  958   1HB   ASN 129          HB2       ASN 129 -13.772   9.637 -21.518
  959   2HB   ASN 129          HB3       ASN 129 -13.040  11.185 -21.086
  960   1HD2  ASN 129          HD22      ASN 129 -13.386  11.923 -23.172
  961   2HD2  ASN 129          HD21      ASN 129 -12.433  11.361 -24.549
  962    H    ARG 130           H        ARG 130 -11.653  11.504 -18.803
  963    HA   ARG 130           HA       ARG 130  -9.110  12.526 -19.556
  964   1HB   ARG 130          HB2       ARG 130 -10.201  12.540 -16.702
  965   2HB   ARG 130          HB3       ARG 130  -8.913  13.519 -17.345
  966   1HG   ARG 130          HG2       ARG 130 -11.878  13.877 -17.774
  967   2HG   ARG 130          HG3       ARG 130 -10.759  14.889 -16.938
  968   1HD   ARG 130          HD2       ARG 130 -11.189  16.044 -18.902
  969   2HD   ARG 130          HD3       ARG 130  -9.598  15.336 -19.148
  970    HE   ARG 130           HE       ARG 130 -12.170  14.156 -20.194
  971   1HH1  ARG 130          HH21      ARG 130  -8.769  15.012 -20.788
  972   2HH1  ARG 130          HH22      ARG 130  -8.662  14.072 -22.254
  973   1HH2  ARG 130          HH11      ARG 130 -12.135  13.324 -22.306
  974   2HH2  ARG 130          HH12      ARG 130 -10.565  13.061 -23.086
  975    H    LEU 131           H        LEU 131  -9.984  10.159 -16.977
  976    HA   LEU 131           HA       LEU 131  -7.248   9.751 -16.283
  977   1HB   LEU 131          HB2       LEU 131  -9.829   8.451 -15.509
  978   2HB   LEU 131          HB3       LEU 131  -8.358   7.520 -15.252
  979    HG   LEU 131           HG       LEU 131  -8.972   8.746 -13.302
  980   1HD1  LEU 131          HD11      LEU 131  -6.572   8.185 -13.795
  981   2HD1  LEU 131          HD12      LEU 131  -6.344   9.837 -14.410
  982   3HD1  LEU 131          HD13      LEU 131  -6.758   9.579 -12.730
  983   1HD2  LEU 131          HD21      LEU 131  -8.828  11.125 -13.057
  984   2HD2  LEU 131          HD22      LEU 131  -8.363  11.333 -14.759
  985   3HD2  LEU 131          HD23      LEU 131  -9.986  10.747 -14.331
  986    H    LYS 132           H        LYS 132  -9.376   7.991 -18.532
  987    HA   LYS 132           HA       LYS 132  -7.554   5.910 -19.123
  988   1HB   LYS 132          HB2       LYS 132  -9.708   5.548 -19.850
  989   2HB   LYS 132          HB3       LYS 132  -9.947   7.162 -20.444
  990   1HG   LYS 132          HG2       LYS 132  -8.091   5.239 -21.895
  991   2HG   LYS 132          HG3       LYS 132  -9.843   5.178 -22.085
  992   1HD   LYS 132          HD2       LYS 132  -9.443   7.858 -22.476
  993   2HD   LYS 132          HD3       LYS 132  -7.919   7.219 -23.110
  994   1HE   LYS 132          HE2       LYS 132  -9.077   5.853 -24.728
  995   2HE   LYS 132          HE3       LYS 132 -10.633   6.122 -23.928
  996   1HZ   LYS 132          HZ1       LYS 132 -10.493   8.457 -24.524
  997   2HZ   LYS 132          HZ2       LYS 132  -9.083   8.209 -25.338
  998   3HZ   LYS 132          HZ3       LYS 132 -10.460   7.511 -25.861
  999    H    GLU 133           H        GLU 133  -7.894   9.135 -20.715
 1000    HA   GLU 133           HA       GLU 133  -5.679   8.705 -22.508
 1001   1HB   GLU 133          HB2       GLU 133  -6.797  11.234 -21.219
 1002   2HB   GLU 133          HB3       GLU 133  -5.486  11.233 -22.409
 1003   1HG   GLU 133          HG2       GLU 133  -6.908  10.455 -24.157
 1004   2HG   GLU 133          HG3       GLU 133  -8.223  10.083 -23.033
 1005    H    PHE 134           H        PHE 134  -5.867  10.219 -19.250
 1006    HA   PHE 134           HA       PHE 134  -3.179  10.932 -19.059
 1007   1HB   PHE 134          HB2       PHE 134  -4.892  11.729 -17.589
 1008   2HB   PHE 134          HB3       PHE 134  -5.263  10.095 -17.036
 1009    HD1  PHE 134           HD1      PHE 134  -2.765  12.826 -16.880
 1010    HD2  PHE 134           HD2      PHE 134  -4.079   9.043 -15.277
 1011    HE1  PHE 134           HE1      PHE 134  -1.112  13.029 -15.054
 1012    HE2  PHE 134           HE2      PHE 134  -2.483   9.299 -13.384
 1013    HZ   PHE 134           HZ       PHE 134  -0.996  11.274 -13.296
 1014    H    ALA 135           H        ALA 135  -4.714   7.819 -18.284
 1015    HA   ALA 135           HA       ALA 135  -2.352   6.594 -17.239
 1016   1HB   ALA 135          HB1       ALA 135  -3.665   4.503 -17.386
 1017   2HB   ALA 135          HB2       ALA 135  -4.585   5.814 -16.626
 1018   3HB   ALA 135          HB3       ALA 135  -4.917   5.356 -18.314
 1019    H    GLU 136           H        GLU 136  -4.001   6.442 -20.399
 1020    HA   GLU 136           HA       GLU 136  -2.230   4.485 -21.509
 1021   1HB   GLU 136          HB2       GLU 136  -4.310   6.322 -22.737
 1022   2HB   GLU 136          HB3       GLU 136  -3.387   5.174 -23.694
 1023   1HG   GLU 136          HG2       GLU 136  -5.105   4.343 -21.315
 1024   2HG   GLU 136          HG3       GLU 136  -5.664   4.368 -22.982
 1025    H    THR 137           H        THR 137  -2.370   8.014 -21.749
 1026    HA   THR 137           HA       THR 137  -0.268   8.069 -23.709
 1027    HB   THR 137           HB       THR 137  -0.702  10.420 -23.838
 1028    HG1  THR 137           HG1      THR 137  -2.603  10.041 -21.791
 1029   1HG2  THR 137          HG21      THR 137  -2.172   8.907 -25.098
 1030   2HG2  THR 137          HG22      THR 137  -3.283   8.786 -23.727
 1031   3HG2  THR 137          HG23      THR 137  -3.064  10.345 -24.559
 1032    H    GLY 138           H        GLY 138  -0.586   8.362 -20.243
 1033   1HA   GLY 138          HA1       GLY 138   0.862   8.835 -18.555
 1034   2HA   GLY 138          HA2       GLY 138   2.231   8.690 -19.685
 1035    H    LYS 139           H        LYS 139  -0.647  10.792 -19.750
 1036    HA   LYS 139           HA       LYS 139   0.475  13.041 -20.845
 1037   1HB   LYS 139          HB2       LYS 139  -1.943  12.498 -20.500
 1038   2HB   LYS 139          HB3       LYS 139  -1.778  12.994 -18.810
 1039   1HG   LYS 139          HG2       LYS 139  -1.228  15.263 -19.465
 1040   2HG   LYS 139          HG3       LYS 139  -1.188  14.815 -21.179
 1041   1HD   LYS 139          HD2       LYS 139  -3.650  14.744 -19.376
 1042   2HD   LYS 139          HD3       LYS 139  -3.265  15.999 -20.561
 1043   1HE   LYS 139          HE2       LYS 139  -3.361  14.275 -22.388
 1044   2HE   LYS 139          HE3       LYS 139  -3.844  13.065 -21.195
 1045   1HZ   LYS 139          HZ1       LYS 139  -5.804  13.959 -22.283
 1046   2HZ   LYS 139          HZ2       LYS 139  -5.804  14.457 -20.726
 1047   3HZ   LYS 139          HZ3       LYS 139  -5.373  15.494 -21.918
  Start of MODEL   15
    1   1H    MET   1           H1       MET   1   3.138   3.688   3.135
    2   2H    MET   1           H2       MET   1   1.878   2.665   3.384
    3   3H    MET   1           H3       MET   1   3.375   2.276   3.948
    4    HA   MET   1           HA       MET   1   4.243   2.141   1.740
    5   1HB   MET   1          HB2       MET   1   3.166   0.126   2.868
    6   2HB   MET   1          HB3       MET   1   1.736   0.412   1.877
    7   1HG   MET   1          HG2       MET   1   4.564  -0.052   0.830
    8   2HG   MET   1          HG3       MET   1   3.341  -1.304   1.005
    9   1HE   MET   1          HE1       MET   1   3.857  -2.065  -1.472
   10   2HE   MET   1          HE2       MET   1   3.779  -0.978  -2.875
   11   3HE   MET   1          HE3       MET   1   5.040  -0.747  -1.643
   12    H    GLU   2           H        GLU   2   4.221   3.352  -0.064
   13    HA   GLU   2           HA       GLU   2   1.894   3.759  -1.692
   14   1HB   GLU   2          HB2       GLU   2   2.121   6.281  -1.628
   15   2HB   GLU   2          HB3       GLU   2   1.311   5.549  -0.264
   16   1HG   GLU   2          HG2       GLU   2   4.266   6.162  -0.043
   17   2HG   GLU   2          HG3       GLU   2   3.093   7.471   0.050
   18    H    ASN   3           H        ASN   3   2.680   5.319  -3.566
   19    HA   ASN   3           HA       ASN   3   5.577   5.016  -4.101
   20   1HB   ASN   3          HB2       ASN   3   4.791   2.974  -4.989
   21   2HB   ASN   3          HB3       ASN   3   3.405   3.738  -5.748
   22   1HD2  ASN   3          HD22      ASN   3   3.636   4.620  -7.800
   23   2HD2  ASN   3          HD21      ASN   3   5.166   4.634  -8.681
   24    H    LYS   4           H        LYS   4   2.443   6.205  -5.354
   25    HA   LYS   4           HA       LYS   4   3.666   8.877  -5.743
   26   1HB   LYS   4          HB2       LYS   4   2.029   7.354  -7.816
   27   2HB   LYS   4          HB3       LYS   4   2.192   9.111  -7.846
   28   1HG   LYS   4          HG2       LYS   4   4.636   8.952  -8.006
   29   2HG   LYS   4          HG3       LYS   4   4.544   7.192  -7.989
   30   1HD   LYS   4          HD2       LYS   4   3.438   9.028 -10.149
   31   2HD   LYS   4          HD3       LYS   4   4.870   7.982 -10.242
   32   1HE   LYS   4          HE2       LYS   4   3.269   6.031  -9.702
   33   2HE   LYS   4          HE3       LYS   4   1.952   7.158 -10.028
   34   1HZ   LYS   4          HZ1       LYS   4   4.088   6.532 -11.993
   35   2HZ   LYS   4          HZ2       LYS   4   2.672   5.726 -11.932
   36   3HZ   LYS   4          HZ3       LYS   4   2.690   7.341 -12.281
   37    H    ILE   5           H        ILE   5   1.753  10.485  -6.103
   38    HA   ILE   5           HA       ILE   5  -0.680   9.736  -4.604
   39    HB   ILE   5           HB       ILE   5   1.251  11.996  -3.901
   40   1HG1  ILE   5          HG12      ILE   5   0.409   9.601  -2.240
   41   2HG1  ILE   5          HG13      ILE   5   1.996   9.901  -2.935
   42   1HG2  ILE   5          HG21      ILE   5  -1.502  11.396  -2.751
   43   2HG2  ILE   5          HG22      ILE   5  -0.409  12.677  -2.145
   44   3HG2  ILE   5          HG23      ILE   5  -1.097  12.795  -3.752
   45   1HD1  ILE   5          HD11      ILE   5   2.152  10.425  -0.631
   46   2HD1  ILE   5          HD12      ILE   5   2.191  11.966  -1.509
   47   3HD1  ILE   5          HD13      ILE   5   0.711  11.446  -0.663
   48    H    ILE   6           H        ILE   6  -2.408  10.636  -5.667
   49    HA   ILE   6           HA       ILE   6  -1.932  12.953  -7.449
   50    HB   ILE   6           HB       ILE   6  -2.090  11.215  -8.979
   51   1HG1  ILE   6          HG12      ILE   6  -4.862  12.463  -8.728
   52   2HG1  ILE   6          HG13      ILE   6  -3.443  13.192  -9.481
   53   1HG2  ILE   6          HG21      ILE   6  -2.897   9.387  -7.535
   54   2HG2  ILE   6          HG22      ILE   6  -4.519  10.105  -7.533
   55   3HG2  ILE   6          HG23      ILE   6  -3.810   9.460  -9.030
   56   1HD1  ILE   6          HD11      ILE   6  -4.814  12.377 -11.240
   57   2HD1  ILE   6          HD12      ILE   6  -3.468  11.217 -11.124
   58   3HD1  ILE   6          HD13      ILE   6  -5.059  10.810 -10.448
   59    H    TYR   7           H        TYR   7  -3.407  14.611  -7.027
   60    HA   TYR   7           HA       TYR   7  -5.571  14.013  -5.068
   61   1HB   TYR   7          HB2       TYR   7  -3.463  15.031  -4.171
   62   2HB   TYR   7          HB3       TYR   7  -3.855  16.503  -5.061
   63    HD1  TYR   7           HD1      TYR   7  -3.345  16.903  -2.451
   64    HD2  TYR   7           HD2      TYR   7  -7.051  15.328  -3.990
   65    HE1  TYR   7           HE1      TYR   7  -4.484  17.566  -0.364
   66    HE2  TYR   7           HE2      TYR   7  -8.151  15.874  -1.879
   67    HH   TYR   7           HH       TYR   7  -6.424  17.329   0.907
   68    H    PHE   8           H        PHE   8  -7.476  14.223  -6.200
   69    HA   PHE   8           HA       PHE   8  -7.833  16.117  -8.388
   70   1HB   PHE   8          HB2       PHE   8  -9.715  14.245  -6.851
   71   2HB   PHE   8          HB3       PHE   8 -10.182  15.210  -8.238
   72    HD1  PHE   8           HD1      PHE   8  -8.939  12.003  -7.253
   73    HD2  PHE   8           HD2      PHE   8  -8.827  14.921 -10.405
   74    HE1  PHE   8           HE1      PHE   8  -8.095  10.286  -8.843
   75    HE2  PHE   8           HE2      PHE   8  -7.942  13.216 -11.975
   76    HZ   PHE   8           HZ       PHE   8  -7.537  10.897 -11.166
   77    H    LEU   9           H        LEU   9  -9.024  17.992  -8.340
   78    HA   LEU   9           HA       LEU   9  -9.986  19.010  -5.722
   79   1HB   LEU   9          HB2       LEU   9  -7.534  19.475  -6.253
   80   2HB   LEU   9          HB3       LEU   9  -8.047  20.364  -7.666
   81    HG   LEU   9           HG       LEU   9  -7.382  21.797  -5.822
   82   1HD1  LEU   9          HD11      LEU   9 -10.378  22.208  -6.024
   83   2HD1  LEU   9          HD12      LEU   9  -9.079  23.398  -5.884
   84   3HD1  LEU   9          HD13      LEU   9  -9.283  22.507  -7.393
   85   1HD2  LEU   9          HD21      LEU   9  -7.928  20.381  -3.942
   86   2HD2  LEU   9          HD22      LEU   9  -8.704  21.978  -3.773
   87   3HD2  LEU   9          HD23      LEU   9  -9.659  20.560  -4.238
   88    H    CYS  10           H        CYS  10 -11.946  20.048  -5.965
   89    HA   CYS  10           HA       CYS  10 -12.731  21.145  -8.637
   90   1HB   CYS  10          HB2       CYS  10 -14.532  19.580  -6.721
   91   2HB   CYS  10          HB3       CYS  10 -15.003  20.277  -8.284
   92    HG   CYS  10           HG       CYS  10 -13.128  17.752  -7.471
   93    H    THR  11           H        THR  11 -14.710  22.704  -8.393
   94    HA   THR  11           HA       THR  11 -14.384  24.525  -6.196
   95    HB   THR  11           HB       THR  11 -16.635  25.374  -7.221
   96    HG1  THR  11           HG1      THR  11 -16.891  24.674  -9.359
   97   1HG2  THR  11          HG21      THR  11 -14.323  26.332  -7.507
   98   2HG2  THR  11          HG22      THR  11 -14.136  25.307  -8.946
   99   3HG2  THR  11          HG23      THR  11 -15.399  26.558  -8.901
  100    H    GLY  12           H        GLY  12 -16.084  21.546  -6.445
  101   1HA   GLY  12          HA1       GLY  12 -16.971  21.784  -3.701
  102   2HA   GLY  12          HA2       GLY  12 -18.288  21.561  -4.882
  103    H    ASN  13           H        ASN  13 -16.030  19.990  -2.997
  104    HA   ASN  13           HA       ASN  13 -14.919  17.960  -4.601
  105   1HB   ASN  13          HB2       ASN  13 -14.173  18.544  -2.318
  106   2HB   ASN  13          HB3       ASN  13 -15.715  18.061  -1.661
  107   1HD2  ASN  13          HD22      ASN  13 -14.142  15.917  -4.132
  108   2HD2  ASN  13          HD21      ASN  13 -13.819  14.693  -2.915
  109    H    SER  14           H        SER  14 -17.989  18.138  -2.910
  110    HA   SER  14           HA       SER  14 -18.771  15.752  -2.338
  111   1HB   SER  14          HB2       SER  14 -20.549  17.859  -3.583
  112   2HB   SER  14          HB3       SER  14 -21.017  16.662  -2.353
  113    HG   SER  14           HG       SER  14 -20.404  18.910  -1.687
  114    H    CYS  15           H        CYS  15 -18.407  16.395  -5.747
  115    HA   CYS  15           HA       CYS  15 -19.316  13.663  -6.148
  116   1HB   CYS  15          HB2       CYS  15 -20.653  14.245  -8.218
  117   2HB   CYS  15          HB3       CYS  15 -21.410  14.660  -6.678
  118    HG   CYS  15           HG       CYS  15 -20.770  17.165  -6.650
  119    H    ARG  16           H        ARG  16 -18.145  16.513  -8.056
  120    HA   ARG  16           HA       ARG  16 -17.181  14.977 -10.147
  121   1HB   ARG  16          HB2       ARG  16 -16.383  17.705  -9.108
  122   2HB   ARG  16          HB3       ARG  16 -15.559  17.009 -10.515
  123   1HG   ARG  16          HG2       ARG  16 -17.593  16.815 -11.760
  124   2HG   ARG  16          HG3       ARG  16 -18.584  17.234 -10.353
  125   1HD   ARG  16          HD2       ARG  16 -16.488  19.111 -11.493
  126   2HD   ARG  16          HD3       ARG  16 -18.153  19.084 -12.078
  127    HE   ARG  16           HE       ARG  16 -18.627  19.372  -9.447
  128   1HH1  ARG  16          HH21      ARG  16 -16.597  21.245 -11.667
  129   2HH1  ARG  16          HH22      ARG  16 -16.497  22.613 -10.576
  130   1HH2  ARG  16          HH12      ARG  16 -18.738  21.178  -8.254
  131   2HH2  ARG  16          HH11      ARG  16 -17.706  22.576  -8.574
  132    H    SER  17           H        SER  17 -15.021  16.077  -7.390
  133    HA   SER  17           HA       SER  17 -12.868  14.566  -8.529
  134   1HB   SER  17          HB2       SER  17 -11.986  14.897  -6.042
  135   2HB   SER  17          HB3       SER  17 -11.965  16.156  -7.259
  136    HG   SER  17           HG       SER  17 -12.796  17.044  -5.425
  137    H    GLN  18           H        GLN  18 -15.408  13.745  -6.153
  138    HA   GLN  18           HA       GLN  18 -14.321  11.277  -5.290
  139   1HB   GLN  18          HB2       GLN  18 -17.258  12.032  -5.712
  140   2HB   GLN  18          HB3       GLN  18 -16.688  10.661  -4.781
  141   1HG   GLN  18          HG2       GLN  18 -16.071  13.562  -4.114
  142   2HG   GLN  18          HG3       GLN  18 -17.364  12.628  -3.392
  143   1HE2  GLN  18          HE22      GLN  18 -15.673  13.662  -1.618
  144   2HE2  GLN  18          HE21      GLN  18 -14.548  12.475  -1.011
  145    H    MET  19           H        MET  19 -16.361  12.020  -8.141
  146    HA   MET  19           HA       MET  19 -16.566   9.314  -9.080
  147   1HB   MET  19          HB2       MET  19 -16.822  12.005 -10.498
  148   2HB   MET  19          HB3       MET  19 -17.183  10.450 -11.258
  149   1HG   MET  19          HG2       MET  19 -19.005  10.019  -9.769
  150   2HG   MET  19          HG3       MET  19 -18.524  11.312  -8.684
  151   1HE   MET  19          HE1       MET  19 -20.631  11.953 -12.760
  152   2HE   MET  19          HE2       MET  19 -18.954  11.377 -12.676
  153   3HE   MET  19          HE3       MET  19 -20.274  10.372 -12.032
  154    H    ALA  20           H        ALA  20 -14.327  12.033  -9.918
  155    HA   ALA  20           HA       ALA  20 -12.800  10.697 -11.861
  156   1HB   ALA  20          HB1       ALA  20 -11.075  12.342 -11.396
  157   2HB   ALA  20          HB2       ALA  20 -12.647  13.156 -11.263
  158   3HB   ALA  20          HB3       ALA  20 -11.754  12.694  -9.802
  159    H    GLU  21           H        GLU  21 -12.399  10.754  -8.301
  160    HA   GLU  21           HA       GLU  21 -10.025   9.262  -8.198
  161   1HB   GLU  21          HB2       GLU  21 -10.671  10.464  -6.315
  162   2HB   GLU  21          HB3       GLU  21 -12.280   9.723  -6.227
  163   1HG   GLU  21          HG2       GLU  21 -11.289   7.594  -5.553
  164   2HG   GLU  21          HG3       GLU  21  -9.672   8.264  -5.673
  165    H    GLY  22           H        GLY  22 -13.453   8.113  -8.122
  166   1HA   GLY  22          HA1       GLY  22 -12.927   5.379  -7.753
  167   2HA   GLY  22          HA2       GLY  22 -14.335   6.057  -8.578
  168    H    TRP  23           H        TRP  23 -13.174   7.206 -10.907
  169    HA   TRP  23           HA       TRP  23 -12.631   4.834 -12.497
  170   1HB   TRP  23          HB2       TRP  23 -12.294   7.792 -13.116
  171   2HB   TRP  23          HB3       TRP  23 -12.010   6.514 -14.278
  172    HD1  TRP  23           HD1      TRP  23 -14.715   8.524 -12.665
  173    HE1  TRP  23           HE1      TRP  23 -16.907   8.232 -13.880
  174    HE3  TRP  23           HE3      TRP  23 -13.420   4.621 -15.734
  175    HZ2  TRP  23           HZ2      TRP  23 -18.018   6.516 -15.915
  176    HZ3  TRP  23           HZ3      TRP  23 -15.070   3.745 -17.364
  177    HH2  TRP  23           HH2      TRP  23 -17.384   4.717 -17.459
  178    H    ALA  24           H        ALA  24 -10.537   7.469 -11.179
  179    HA   ALA  24           HA       ALA  24  -8.232   6.664 -12.582
  180   1HB   ALA  24          HB1       ALA  24  -8.551   8.860 -11.397
  181   2HB   ALA  24          HB2       ALA  24  -8.342   8.021  -9.851
  182   3HB   ALA  24          HB3       ALA  24  -7.003   8.080 -11.021
  183    H    LYS  25           H        LYS  25  -9.537   5.530  -9.446
  184    HA   LYS  25           HA       LYS  25  -7.299   3.983  -8.659
  185   1HB   LYS  25          HB2       LYS  25 -10.276   3.640  -8.203
  186   2HB   LYS  25          HB3       LYS  25  -9.104   2.501  -7.536
  187   1HG   LYS  25          HG2       LYS  25  -8.038   4.178  -6.183
  188   2HG   LYS  25          HG3       LYS  25  -8.897   5.489  -6.991
  189   1HD   LYS  25          HD2       LYS  25 -11.061   4.618  -6.161
  190   2HD   LYS  25          HD3       LYS  25 -10.216   3.301  -5.312
  191   1HE   LYS  25          HE2       LYS  25  -9.051   4.891  -3.879
  192   2HE   LYS  25          HE3       LYS  25  -9.612   6.244  -4.865
  193   1HZ   LYS  25          HZ1       LYS  25 -11.231   4.619  -3.019
  194   2HZ   LYS  25          HZ2       LYS  25 -10.992   6.267  -3.070
  195   3HZ   LYS  25          HZ3       LYS  25 -11.924   5.565  -4.190
  196    H    GLN  26           H        GLN  26  -9.747   3.288 -11.148
  197    HA   GLN  26           HA       GLN  26  -8.932   0.513 -11.498
  198   1HB   GLN  26          HB2       GLN  26 -10.196   2.334 -13.565
  199   2HB   GLN  26          HB3       GLN  26 -10.065   0.585 -13.612
  200   1HG   GLN  26          HG2       GLN  26 -11.578   0.461 -11.600
  201   2HG   GLN  26          HG3       GLN  26 -11.806   2.222 -11.728
  202   1HE2  GLN  26          HE22      GLN  26 -12.019   2.784 -14.329
  203   2HE2  GLN  26          HE21      GLN  26 -13.343   1.923 -15.090
  204    H    TYR  27           H        TYR  27  -8.404   3.499 -13.376
  205    HA   TYR  27           HA       TYR  27  -6.649   2.267 -15.226
  206   1HB   TYR  27          HB2       TYR  27  -7.016   5.219 -14.583
  207   2HB   TYR  27          HB3       TYR  27  -6.183   4.585 -15.995
  208    HD1  TYR  27           HD1      TYR  27  -9.241   5.922 -14.979
  209    HD2  TYR  27           HD2      TYR  27  -7.615   2.714 -17.363
  210    HE1  TYR  27           HE1      TYR  27 -11.325   5.854 -16.321
  211    HE2  TYR  27           HE2      TYR  27  -9.717   2.598 -18.655
  212    HH   TYR  27           HH       TYR  27 -11.856   3.492 -18.961
  213    H    LEU  28           H        LEU  28  -5.889   4.023 -12.239
  214    HA   LEU  28           HA       LEU  28  -3.026   4.137 -12.947
  215   1HB   LEU  28          HB2       LEU  28  -4.544   5.335 -10.597
  216   2HB   LEU  28          HB3       LEU  28  -2.898   5.671 -11.054
  217    HG   LEU  28           HG       LEU  28  -5.379   6.461 -12.595
  218   1HD1  LEU  28          HD11      LEU  28  -4.628   8.726 -12.128
  219   2HD1  LEU  28          HD12      LEU  28  -4.720   7.821 -10.604
  220   3HD1  LEU  28          HD13      LEU  28  -3.144   8.121 -11.357
  221   1HD2  LEU  28          HD21      LEU  28  -3.902   7.541 -14.226
  222   2HD2  LEU  28          HD22      LEU  28  -2.475   6.825 -13.442
  223   3HD2  LEU  28          HD23      LEU  28  -3.682   5.804 -14.255
  224    H    GLY  29           H        GLY  29  -5.116   2.700 -10.456
  225   1HA   GLY  29          HA1       GLY  29  -4.806   0.797  -9.223
  226   2HA   GLY  29          HA2       GLY  29  -3.299   0.510 -10.092
  227    H    ASP  30           H        ASP  30  -2.897  -0.285  -7.843
  228    HA   ASP  30           HA       ASP  30  -2.670   1.301  -5.545
  229   1HB   ASP  30          HB2       ASP  30  -2.798  -1.159  -5.617
  230   2HB   ASP  30          HB3       ASP  30  -1.185  -1.226  -6.336
  231    H    GLU  31           H        GLU  31  -0.575   1.238  -8.248
  232    HA   GLU  31           HA       GLU  31   1.924   2.114  -7.210
  233   1HB   GLU  31          HB2       GLU  31   1.427   1.238  -9.489
  234   2HB   GLU  31          HB3       GLU  31   0.438   2.642  -9.831
  235   1HG   GLU  31          HG2       GLU  31   2.519   4.068  -9.585
  236   2HG   GLU  31          HG3       GLU  31   3.447   2.570  -9.436
  237    H    TRP  32           H        TRP  32  -1.147   3.670  -7.005
  238    HA   TRP  32           HA       TRP  32   0.176   6.226  -6.299
  239   1HB   TRP  32          HB2       TRP  32  -2.430   6.118  -7.840
  240   2HB   TRP  32          HB3       TRP  32  -1.437   7.512  -7.481
  241    HD1  TRP  32           HD1      TRP  32  -0.990   4.250  -9.519
  242    HE1  TRP  32           HE1      TRP  32  -0.180   4.816 -11.861
  243    HE3  TRP  32           HE3      TRP  32  -0.655   9.326  -9.020
  244    HZ2  TRP  32           HZ2      TRP  32   0.250   7.173 -13.422
  245    HZ3  TRP  32           HZ3      TRP  32  -0.175  10.730 -10.996
  246    HH2  TRP  32           HH2      TRP  32   0.259   9.648 -13.226
  247    H    LYS  33           H        LYS  33  -0.888   7.368  -4.684
  248    HA   LYS  33           HA       LYS  33  -3.257   6.132  -3.336
  249   1HB   LYS  33          HB2       LYS  33  -1.450   8.462  -2.572
  250   2HB   LYS  33          HB3       LYS  33  -2.937   7.998  -1.733
  251   1HG   LYS  33          HG2       LYS  33  -1.871   5.597  -1.657
  252   2HG   LYS  33          HG3       LYS  33  -0.344   6.442  -1.960
  253   1HD   LYS  33          HD2       LYS  33  -2.333   7.027   0.261
  254   2HD   LYS  33          HD3       LYS  33  -0.881   6.027   0.462
  255   1HE   LYS  33          HE2       LYS  33   0.476   8.075  -0.341
  256   2HE   LYS  33          HE3       LYS  33  -1.012   9.015  -0.149
  257   1HZ   LYS  33          HZ1       LYS  33  -0.991   8.243   2.221
  258   2HZ   LYS  33          HZ2       LYS  33   0.515   7.609   1.965
  259   3HZ   LYS  33          HZ3       LYS  33   0.256   9.216   1.829
  260    H    VAL  34           H        VAL  34  -5.242   7.250  -3.492
  261    HA   VAL  34           HA       VAL  34  -5.277   9.494  -5.467
  262    HB   VAL  34           HB       VAL  34  -7.289   7.221  -5.358
  263   1HG1  VAL  34          HG11      VAL  34  -7.956   8.019  -7.525
  264   2HG1  VAL  34          HG12      VAL  34  -7.884   9.438  -6.463
  265   3HG1  VAL  34          HG13      VAL  34  -6.574   9.131  -7.617
  266   1HG2  VAL  34          HG21      VAL  34  -4.830   7.402  -7.161
  267   2HG2  VAL  34          HG22      VAL  34  -5.205   6.113  -5.994
  268   3HG2  VAL  34          HG23      VAL  34  -6.206   6.313  -7.429
  269    H    TYR  35           H        TYR  35  -6.267  11.241  -4.692
  270    HA   TYR  35           HA       TYR  35  -8.231  10.955  -2.447
  271   1HB   TYR  35          HB2       TYR  35  -6.188  13.151  -2.884
  272   2HB   TYR  35          HB3       TYR  35  -7.310  13.038  -1.542
  273    HD1  TYR  35           HD1      TYR  35  -7.077  10.536  -0.285
  274    HD2  TYR  35           HD2      TYR  35  -4.019  12.815  -2.307
  275    HE1  TYR  35           HE1      TYR  35  -5.364   9.543   1.198
  276    HE2  TYR  35           HE2      TYR  35  -2.329  11.895  -0.816
  277    HH   TYR  35           HH       TYR  35  -3.145   9.577   1.843
  278    H    SER  36           H        SER  36  -9.702  12.677  -2.216
  279    HA   SER  36           HA       SER  36 -10.198  14.446  -4.551
  280   1HB   SER  36          HB2       SER  36 -12.211  12.792  -2.935
  281   2HB   SER  36          HB3       SER  36 -12.596  13.918  -4.246
  282    HG   SER  36           HG       SER  36 -11.234  11.455  -4.347
  283    H    ALA  37           H        ALA  37 -10.373  16.544  -3.863
  284    HA   ALA  37           HA       ALA  37 -11.876  17.096  -1.406
  285   1HB   ALA  37          HB1       ALA  37  -9.128  18.306  -1.893
  286   2HB   ALA  37          HB2       ALA  37 -10.285  18.704  -0.594
  287   3HB   ALA  37          HB3       ALA  37  -9.556  17.113  -0.623
  288    H    GLY  38           H        GLY  38 -11.680  19.862  -1.502
  289   1HA   GLY  38          HA1       GLY  38 -11.785  20.939  -4.158
  290   2HA   GLY  38          HA2       GLY  38 -13.404  20.664  -3.500
  291    H    ILE  39           H        ILE  39 -12.897  23.141  -4.049
  292    HA   ILE  39           HA       ILE  39 -11.830  24.894  -2.088
  293    HB   ILE  39           HB       ILE  39 -14.089  25.006  -4.098
  294   1HG1  ILE  39          HG12      ILE  39 -12.805  26.862  -5.069
  295   2HG1  ILE  39          HG13      ILE  39 -11.609  26.734  -3.775
  296   1HG2  ILE  39          HG21      ILE  39 -15.053  26.334  -2.330
  297   2HG2  ILE  39          HG22      ILE  39 -13.534  27.251  -2.138
  298   3HG2  ILE  39          HG23      ILE  39 -14.506  27.391  -3.621
  299   1HD1  ILE  39          HD11      ILE  39 -10.910  24.531  -4.641
  300   2HD1  ILE  39          HD12      ILE  39 -12.183  24.614  -5.890
  301   3HD1  ILE  39          HD13      ILE  39 -10.848  25.764  -5.908
  302    H    GLU  40           H        GLU  40 -14.977  23.181  -2.309
  303    HA   GLU  40           HA       GLU  40 -15.042  23.152   0.629
  304   1HB   GLU  40          HB2       GLU  40 -17.339  23.841   0.811
  305   2HB   GLU  40          HB3       GLU  40 -16.396  25.113   0.046
  306   1HG   GLU  40          HG2       GLU  40 -17.262  24.435  -2.184
  307   2HG   GLU  40          HG3       GLU  40 -18.199  23.131  -1.445
  308    H    ALA  41           H        ALA  41 -17.065  21.737   1.262
  309    HA   ALA  41           HA       ALA  41 -17.685  19.485  -0.521
  310   1HB   ALA  41          HB1       ALA  41 -15.594  18.769   0.591
  311   2HB   ALA  41          HB2       ALA  41 -16.275  19.196   2.177
  312   3HB   ALA  41          HB3       ALA  41 -16.987  17.878   1.239
  313    H    HIS  42           H        HIS  42 -19.504  18.327   0.387
  314    HA   HIS  42           HA       HIS  42 -20.855  19.540   2.761
  315   1HB   HIS  42          HB2       HIS  42 -21.849  20.458   0.683
  316   2HB   HIS  42          HB3       HIS  42 -22.160  18.821   0.102
  317    HD1  HIS  42           HD1      HIS  42 -24.477  17.798   0.857
  318    HD2  HIS  42           HD2      HIS  42 -23.209  21.156   3.062
  319    HE1  HIS  42           HE1      HIS  42 -26.399  18.399   2.410
  320    H    GLY  43           H        GLY  43 -20.466  16.732   0.540
  321   1HA   GLY  43          HA1       GLY  43 -20.126  14.845   2.570
  322   2HA   GLY  43          HA2       GLY  43 -21.838  14.798   2.084
  323    H    LEU  44           H        LEU  44 -20.688  12.534   1.444
  324    HA   LEU  44           HA       LEU  44 -19.598  12.627  -1.309
  325   1HB   LEU  44          HB2       LEU  44 -18.761  10.880   0.161
  326   2HB   LEU  44          HB3       LEU  44 -20.409  10.361   0.560
  327    HG   LEU  44           HG       LEU  44 -20.792   9.639  -1.732
  328   1HD1  LEU  44          HD11      LEU  44 -18.906   9.480  -3.349
  329   2HD1  LEU  44          HD12      LEU  44 -19.368  11.153  -3.038
  330   3HD1  LEU  44          HD13      LEU  44 -17.911  10.470  -2.264
  331   1HD2  LEU  44          HD21      LEU  44 -19.767   8.119  -0.018
  332   2HD2  LEU  44          HD22      LEU  44 -19.334   7.698  -1.684
  333   3HD2  LEU  44          HD23      LEU  44 -18.172   8.547  -0.662
  334    H    ASN  45           H        ASN  45 -21.169  13.407  -2.741
  335    HA   ASN  45           HA       ASN  45 -23.889  13.421  -2.008
  336   1HB   ASN  45          HB2       ASN  45 -22.700  15.076  -3.475
  337   2HB   ASN  45          HB3       ASN  45 -22.703  13.868  -4.768
  338   1HD2  ASN  45          HD22      ASN  45 -24.358  14.265  -6.205
  339   2HD2  ASN  45          HD21      ASN  45 -25.934  14.898  -5.757
  340    HA   PRO  46           HA       PRO  46 -25.064   9.292  -3.190
  341   1HB   PRO  46          HB2       PRO  46 -27.717  10.529  -3.940
  342   2HB   PRO  46          HB3       PRO  46 -27.390   9.060  -2.967
  343   1HG   PRO  46          HG2       PRO  46 -28.031  11.392  -1.743
  344   2HG   PRO  46          HG3       PRO  46 -26.709  10.370  -1.087
  345   1HD   PRO  46          HD2       PRO  46 -26.486  12.825  -2.846
  346   2HD   PRO  46          HD3       PRO  46 -25.555  12.390  -1.375
  347    H    ASN  47           H        ASN  47 -25.805  11.956  -5.506
  348    HA   ASN  47           HA       ASN  47 -26.213  10.275  -7.750
  349   1HB   ASN  47          HB2       ASN  47 -26.404  12.120  -8.937
  350   2HB   ASN  47          HB3       ASN  47 -26.343  13.001  -7.434
  351   1HD2  ASN  47          HD22      ASN  47 -24.987  12.756 -10.566
  352   2HD2  ASN  47          HD21      ASN  47 -23.477  13.577 -10.259
  353    H    ALA  48           H        ALA  48 -23.192  11.369  -6.211
  354    HA   ALA  48           HA       ALA  48 -21.499  10.541  -8.406
  355   1HB   ALA  48          HB1       ALA  48 -20.820  10.944  -5.448
  356   2HB   ALA  48          HB2       ALA  48 -19.677  10.867  -6.797
  357   3HB   ALA  48          HB3       ALA  48 -20.831  12.212  -6.689
  358    H    VAL  49           H        VAL  49 -22.634   9.129  -5.310
  359    HA   VAL  49           HA       VAL  49 -21.139   6.719  -5.495
  360    HB   VAL  49           HB       VAL  49 -23.831   7.078  -4.126
  361   1HG1  VAL  49          HG11      VAL  49 -23.010   5.222  -2.717
  362   2HG1  VAL  49          HG12      VAL  49 -23.107   4.715  -4.413
  363   3HG1  VAL  49          HG13      VAL  49 -21.533   5.118  -3.700
  364   1HG2  VAL  49          HG21      VAL  49 -20.986   7.651  -3.223
  365   2HG2  VAL  49          HG22      VAL  49 -22.350   8.783  -3.268
  366   3HG2  VAL  49          HG23      VAL  49 -22.352   7.468  -2.093
  367    H    LYS  50           H        LYS  50 -24.556   7.414  -6.531
  368    HA   LYS  50           HA       LYS  50 -24.865   4.790  -7.576
  369   1HB   LYS  50          HB2       LYS  50 -26.718   6.420  -6.961
  370   2HB   LYS  50          HB3       LYS  50 -26.417   7.243  -8.504
  371   1HG   LYS  50          HG2       LYS  50 -26.851   5.070  -9.696
  372   2HG   LYS  50          HG3       LYS  50 -27.154   4.293  -8.135
  373   1HD   LYS  50          HD2       LYS  50 -29.067   5.821  -7.745
  374   2HD   LYS  50          HD3       LYS  50 -28.757   6.600  -9.312
  375   1HE   LYS  50          HE2       LYS  50 -29.123   4.432 -10.466
  376   2HE   LYS  50          HE3       LYS  50 -29.427   3.650  -8.909
  377   1HZ   LYS  50          HZ1       LYS  50 -31.485   4.233 -10.018
  378   2HZ   LYS  50          HZ2       LYS  50 -31.363   5.090  -8.640
  379   3HZ   LYS  50          HZ3       LYS  50 -31.086   5.810 -10.082
  380    H    ALA  51           H        ALA  51 -23.870   7.869  -9.213
  381    HA   ALA  51           HA       ALA  51 -23.915   6.856 -11.819
  382   1HB   ALA  51          HB1       ALA  51 -22.290   8.671 -12.360
  383   2HB   ALA  51          HB2       ALA  51 -23.616   9.260 -11.338
  384   3HB   ALA  51          HB3       ALA  51 -22.013   8.933 -10.628
  385    H    MET  52           H        MET  52 -21.242   6.663  -9.402
  386    HA   MET  52           HA       MET  52 -19.505   5.259 -11.257
  387   1HB   MET  52          HB2       MET  52 -19.475   5.698  -8.240
  388   2HB   MET  52          HB3       MET  52 -18.169   4.939  -9.147
  389   1HG   MET  52          HG2       MET  52 -19.176   7.794  -9.417
  390   2HG   MET  52          HG3       MET  52 -17.622   7.267  -8.785
  391   1HE   MET  52          HE1       MET  52 -15.597   6.410 -10.270
  392   2HE   MET  52          HE2       MET  52 -16.707   5.085 -10.681
  393   3HE   MET  52          HE3       MET  52 -15.814   5.895 -11.953
  394    H    LYS  53           H        LYS  53 -21.708   4.261  -8.581
  395    HA   LYS  53           HA       LYS  53 -20.883   1.570  -8.550
  396   1HB   LYS  53          HB2       LYS  53 -22.164   2.835  -6.810
  397   2HB   LYS  53          HB3       LYS  53 -23.611   2.708  -7.822
  398   1HG   LYS  53          HG2       LYS  53 -23.557   0.262  -7.622
  399   2HG   LYS  53          HG3       LYS  53 -22.018   0.326  -6.738
  400   1HD   LYS  53          HD2       LYS  53 -24.560   1.706  -5.783
  401   2HD   LYS  53          HD3       LYS  53 -24.125   0.044  -5.321
  402   1HE   LYS  53          HE2       LYS  53 -21.981   0.879  -4.349
  403   2HE   LYS  53          HE3       LYS  53 -22.430   2.529  -4.779
  404   1HZ   LYS  53          HZ1       LYS  53 -24.374   2.277  -3.293
  405   2HZ   LYS  53          HZ2       LYS  53 -23.830   0.803  -2.829
  406   3HZ   LYS  53          HZ3       LYS  53 -22.941   2.145  -2.517
  407    H    GLU  54           H        GLU  54 -23.261   3.234 -10.602
  408    HA   GLU  54           HA       GLU  54 -24.239   0.911 -11.917
  409   1HB   GLU  54          HB2       GLU  54 -24.129   3.868 -12.614
  410   2HB   GLU  54          HB3       GLU  54 -24.826   2.704 -13.736
  411   1HG   GLU  54          HG2       GLU  54 -25.751   3.011 -10.853
  412   2HG   GLU  54          HG3       GLU  54 -26.466   3.863 -12.217
  413    H    VAL  55           H        VAL  55 -21.141   2.535 -12.266
  414    HA   VAL  55           HA       VAL  55 -20.536   1.266 -14.861
  415    HB   VAL  55           HB       VAL  55 -18.574   2.470 -12.857
  416   1HG1  VAL  55          HG11      VAL  55 -17.171   2.884 -14.855
  417   2HG1  VAL  55          HG12      VAL  55 -17.464   1.168 -14.612
  418   3HG1  VAL  55          HG13      VAL  55 -18.368   2.046 -15.867
  419   1HG2  VAL  55          HG21      VAL  55 -20.216   4.209 -13.422
  420   2HG2  VAL  55          HG22      VAL  55 -18.653   4.562 -14.133
  421   3HG2  VAL  55          HG23      VAL  55 -19.955   3.913 -15.157
  422    H    GLY  56           H        GLY  56 -20.602   0.424 -11.479
  423   1HA   GLY  56          HA1       GLY  56 -20.204  -1.727 -10.598
  424   2HA   GLY  56          HA2       GLY  56 -19.068  -2.088 -11.909
  425    H    ILE  57           H        ILE  57 -18.949   1.098 -10.324
  426    HA   ILE  57           HA       ILE  57 -16.402   0.334  -8.962
  427    HB   ILE  57           HB       ILE  57 -17.203   2.956 -10.277
  428   1HG1  ILE  57          HG12      ILE  57 -15.032   0.980 -11.108
  429   2HG1  ILE  57          HG13      ILE  57 -16.594   1.164 -11.910
  430   1HG2  ILE  57          HG21      ILE  57 -14.937   3.737  -9.668
  431   2HG2  ILE  57          HG22      ILE  57 -15.816   3.289  -8.220
  432   3HG2  ILE  57          HG23      ILE  57 -14.591   2.187  -8.881
  433   1HD1  ILE  57          HD11      ILE  57 -14.363   3.210 -11.811
  434   2HD1  ILE  57          HD12      ILE  57 -15.083   2.400 -13.215
  435   3HD1  ILE  57          HD13      ILE  57 -16.033   3.587 -12.333
  436    H    ASP  58           H        ASP  58 -17.155   0.004  -6.904
  437    HA   ASP  58           HA       ASP  58 -19.243   1.711  -5.752
  438   1HB   ASP  58          HB2       ASP  58 -19.058  -0.482  -4.781
  439   2HB   ASP  58          HB3       ASP  58 -17.320  -0.263  -4.458
  440    H    ILE  59           H        ILE  59 -18.917   3.672  -4.938
  441    HA   ILE  59           HA       ILE  59 -16.249   4.414  -3.934
  442    HB   ILE  59           HB       ILE  59 -16.439   6.624  -4.688
  443   1HG1  ILE  59          HG12      ILE  59 -19.101   6.135  -6.048
  444   2HG1  ILE  59          HG13      ILE  59 -19.019   6.733  -4.396
  445   1HG2  ILE  59          HG21      ILE  59 -17.213   4.913  -7.056
  446   2HG2  ILE  59          HG22      ILE  59 -16.305   6.440  -7.075
  447   3HG2  ILE  59          HG23      ILE  59 -15.593   5.003  -6.330
  448   1HD1  ILE  59          HD11      ILE  59 -17.577   8.628  -5.168
  449   2HD1  ILE  59          HD12      ILE  59 -17.950   8.166  -6.836
  450   3HD1  ILE  59          HD13      ILE  59 -19.254   8.646  -5.726
  451    H    SER  60           H        SER  60 -19.190   3.450  -2.862
  452    HA   SER  60           HA       SER  60 -20.090   5.540  -1.206
  453   1HB   SER  60          HB2       SER  60 -20.188   2.632  -0.353
  454   2HB   SER  60          HB3       SER  60 -21.381   3.909  -0.083
  455    HG   SER  60           HG       SER  60 -20.730   2.464  -2.434
  456    H    ASN  61           H        ASN  61 -17.433   3.309  -0.931
  457    HA   ASN  61           HA       ASN  61 -16.748   3.532   1.814
  458   1HB   ASN  61          HB2       ASN  61 -14.626   2.522   1.091
  459   2HB   ASN  61          HB3       ASN  61 -15.993   1.690   0.370
  460   1HD2  ASN  61          HD22      ASN  61 -16.277   1.756  -1.957
  461   2HD2  ASN  61          HD21      ASN  61 -15.088   2.489  -3.000
  462    H    GLN  62           H        GLN  62 -16.410   5.900  -0.731
  463    HA   GLN  62           HA       GLN  62 -14.047   7.165   0.375
  464   1HB   GLN  62          HB2       GLN  62 -15.928   8.076  -1.844
  465   2HB   GLN  62          HB3       GLN  62 -14.371   8.798  -1.406
  466   1HG   GLN  62          HG2       GLN  62 -13.211   6.685  -1.930
  467   2HG   GLN  62          HG3       GLN  62 -14.746   5.940  -2.387
  468   1HE2  GLN  62          HE22      GLN  62 -14.609   9.233  -3.566
  469   2HE2  GLN  62          HE21      GLN  62 -14.268   8.746  -5.221
  470    H    THR  63           H        THR  63 -14.389   9.691   0.757
  471    HA   THR  63           HA       THR  63 -16.977  10.515   1.704
  472    HB   THR  63           HB       THR  63 -15.806  11.386   3.902
  473    HG1  THR  63           HG1      THR  63 -13.742  10.530   3.481
  474   1HG2  THR  63          HG21      THR  63 -17.733   9.733   3.735
  475   2HG2  THR  63          HG22      THR  63 -16.528   8.438   3.855
  476   3HG2  THR  63          HG23      THR  63 -16.709   9.605   5.179
  477    H    SER  64           H        SER  64 -16.952  12.946   2.115
  478    HA   SER  64           HA       SER  64 -14.954  14.164   0.335
  479   1HB   SER  64          HB2       SER  64 -17.701  15.078   1.258
  480   2HB   SER  64          HB3       SER  64 -16.659  15.966   0.138
  481    HG   SER  64           HG       SER  64 -18.345  14.475  -0.733
  482    H    ASP  65           H        ASP  65 -14.081  16.193   0.780
  483    HA   ASP  65           HA       ASP  65 -13.952  17.252   3.503
  484   1HB   ASP  65          HB2       ASP  65 -12.324  15.262   3.394
  485   2HB   ASP  65          HB3       ASP  65 -11.472  16.147   2.115
  486    H    ILE  66           H        ILE  66 -12.702  19.337   3.438
  487    HA   ILE  66           HA       ILE  66 -12.611  20.489   0.715
  488    HB   ILE  66           HB       ILE  66 -12.645  22.579   1.658
  489   1HG1  ILE  66          HG12      ILE  66 -11.968  21.368   4.361
  490   2HG1  ILE  66          HG13      ILE  66 -10.969  22.456   3.372
  491   1HG2  ILE  66          HG21      ILE  66 -14.426  21.057   3.605
  492   2HG2  ILE  66          HG22      ILE  66 -14.732  22.617   2.820
  493   3HG2  ILE  66          HG23      ILE  66 -14.745  21.120   1.871
  494   1HD1  ILE  66          HD11      ILE  66 -12.841  24.177   3.591
  495   2HD1  ILE  66          HD12      ILE  66 -13.541  23.108   4.830
  496   3HD1  ILE  66          HD13      ILE  66 -11.930  23.808   5.085
  497    H    ILE  67           H        ILE  67 -10.608  21.692   0.170
  498    HA   ILE  67           HA       ILE  67  -8.560  19.876   0.030
  499    HB   ILE  67           HB       ILE  67  -8.976  21.506  -1.590
  500   1HG1  ILE  67          HG12      ILE  67  -6.642  20.532  -1.259
  501   2HG1  ILE  67          HG13      ILE  67  -6.872  21.851  -2.381
  502   1HG2  ILE  67          HG21      ILE  67  -9.709  23.447  -0.388
  503   2HG2  ILE  67          HG22      ILE  67  -8.104  23.673   0.342
  504   3HG2  ILE  67          HG23      ILE  67  -8.342  23.882  -1.409
  505   1HD1  ILE  67          HD11      ILE  67  -5.845  23.460  -0.994
  506   2HD1  ILE  67          HD12      ILE  67  -5.834  22.397   0.417
  507   3HD1  ILE  67          HD13      ILE  67  -4.800  22.029  -0.969
  508    H    ASP  68           H        ASP  68  -6.619  19.531   0.817
  509    HA   ASP  68           HA       ASP  68  -5.825  20.825   3.389
  510   1HB   ASP  68          HB2       ASP  68  -6.582  18.553   3.855
  511   2HB   ASP  68          HB3       ASP  68  -5.543  17.906   2.578
  512    H    SER  69           H        SER  69  -4.163  22.130   2.857
  513    HA   SER  69           HA       SER  69  -2.808  21.890   0.430
  514   1HB   SER  69          HB2       SER  69  -1.847  23.502   2.809
  515   2HB   SER  69          HB3       SER  69  -1.685  23.878   1.080
  516    HG   SER  69           HG       SER  69  -3.379  25.051   2.192
  517    H    ASP  70           H        ASP  70  -2.030  20.306   3.469
  518    HA   ASP  70           HA       ASP  70   0.814  20.189   2.972
  519   1HB   ASP  70          HB2       ASP  70   0.018  20.019   5.259
  520   2HB   ASP  70          HB3       ASP  70  -0.939  18.590   4.862
  521    H    ILE  71           H        ILE  71  -1.965  17.963   2.554
  522    HA   ILE  71           HA       ILE  71  -0.351  15.920   1.266
  523    HB   ILE  71           HB       ILE  71  -3.350  16.408   1.297
  524   1HG1  ILE  71          HG12      ILE  71  -1.514  14.298   2.525
  525   2HG1  ILE  71          HG13      ILE  71  -2.216  15.664   3.404
  526   1HG2  ILE  71          HG21      ILE  71  -1.839  14.026   0.114
  527   2HG2  ILE  71          HG22      ILE  71  -3.613  14.214   0.215
  528   3HG2  ILE  71          HG23      ILE  71  -2.684  15.238  -0.853
  529   1HD1  ILE  71          HD11      ILE  71  -4.512  14.736   2.875
  530   2HD1  ILE  71          HD12      ILE  71  -3.701  13.276   2.245
  531   3HD1  ILE  71          HD13      ILE  71  -3.512  13.729   3.943
  532    H    LEU  72           H        LEU  72  -2.216  18.754   0.048
  533    HA   LEU  72           HA       LEU  72  -1.840  18.307  -2.705
  534   1HB   LEU  72          HB2       LEU  72  -3.184  20.129  -1.517
  535   2HB   LEU  72          HB3       LEU  72  -1.651  20.994  -1.325
  536    HG   LEU  72           HG       LEU  72  -1.476  20.658  -3.957
  537   1HD1  LEU  72          HD11      LEU  72  -4.484  20.433  -3.406
  538   2HD1  LEU  72          HD12      LEU  72  -3.762  20.732  -4.987
  539   3HD1  LEU  72          HD13      LEU  72  -3.467  19.192  -4.160
  540   1HD2  LEU  72          HD21      LEU  72  -1.644  22.840  -2.812
  541   2HD2  LEU  72          HD22      LEU  72  -2.627  22.804  -4.285
  542   3HD2  LEU  72          HD23      LEU  72  -3.406  22.640  -2.695
  543    H    ASN  73           H        ASN  73   0.384  19.933  -0.386
  544    HA   ASN  73           HA       ASN  73   2.407  20.325  -2.376
  545   1HB   ASN  73          HB2       ASN  73   2.276  20.713   0.621
  546   2HB   ASN  73          HB3       ASN  73   3.820  20.795  -0.213
  547   1HD2  ASN  73          HD22      ASN  73   0.597  22.316  -0.071
  548   2HD2  ASN  73          HD21      ASN  73   1.011  23.733  -1.022
  549    H    ASN  74           H        ASN  74   1.493  17.417  -0.893
  550    HA   ASN  74           HA       ASN  74   4.248  16.257  -1.085
  551   1HB   ASN  74          HB2       ASN  74   1.664  15.296   0.202
  552   2HB   ASN  74          HB3       ASN  74   2.906  14.160  -0.271
  553   1HD2  ASN  74          HD22      ASN  74   2.140  16.746   1.962
  554   2HD2  ASN  74          HD21      ASN  74   3.461  16.418   3.065
  555    H    ALA  75           H        ALA  75   1.173  16.552  -2.754
  556    HA   ALA  75           HA       ALA  75   1.080  14.004  -3.866
  557   1HB   ALA  75          HB1       ALA  75  -0.108  16.569  -4.971
  558   2HB   ALA  75          HB2       ALA  75  -0.631  14.908  -5.340
  559   3HB   ALA  75          HB3       ALA  75  -0.831  15.551  -3.700
  560    H    ASP  76           H        ASP  76   1.736  13.156  -5.961
  561    HA   ASP  76           HA       ASP  76   4.115  14.394  -7.162
  562   1HB   ASP  76          HB2       ASP  76   3.801  11.918  -7.188
  563   2HB   ASP  76          HB3       ASP  76   2.333  12.123  -8.152
  564    H    LEU  77           H        LEU  77   0.629  14.250  -7.622
  565    HA   LEU  77           HA       LEU  77   0.727  16.271  -9.770
  566   1HB   LEU  77          HB2       LEU  77   0.683  14.162 -10.917
  567   2HB   LEU  77          HB3       LEU  77  -0.552  13.527  -9.825
  568    HG   LEU  77           HG       LEU  77  -2.209  15.149 -10.749
  569   1HD1  LEU  77          HD11      LEU  77  -0.097  15.704 -12.884
  570   2HD1  LEU  77          HD12      LEU  77  -1.754  16.293 -12.870
  571   3HD1  LEU  77          HD13      LEU  77  -0.620  16.885 -11.665
  572   1HD2  LEU  77          HD21      LEU  77  -2.537  13.924 -12.826
  573   2HD2  LEU  77          HD22      LEU  77  -0.826  13.428 -12.813
  574   3HD2  LEU  77          HD23      LEU  77  -1.938  12.819 -11.576
  575    H    VAL  78           H        VAL  78  -0.976  17.562  -9.810
  576    HA   VAL  78           HA       VAL  78  -3.317  17.113  -8.024
  577    HB   VAL  78           HB       VAL  78  -1.702  19.645  -8.616
  578   1HG1  VAL  78          HG11      VAL  78  -3.293  20.856  -7.181
  579   2HG1  VAL  78          HG12      VAL  78  -4.135  20.175  -8.568
  580   3HG1  VAL  78          HG13      VAL  78  -4.277  19.374  -6.990
  581   1HG2  VAL  78          HG21      VAL  78  -1.345  19.736  -6.171
  582   2HG2  VAL  78          HG22      VAL  78  -2.241  18.199  -5.976
  583   3HG2  VAL  78          HG23      VAL  78  -0.698  18.245  -6.842
  584    H    VAL  79           H        VAL  79  -5.289  17.478  -9.226
  585    HA   VAL  79           HA       VAL  79  -4.924  18.959 -11.737
  586    HB   VAL  79           HB       VAL  79  -6.291  17.637 -13.111
  587   1HG1  VAL  79          HG11      VAL  79  -3.870  17.030 -12.898
  588   2HG1  VAL  79          HG12      VAL  79  -4.329  15.705 -11.809
  589   3HG1  VAL  79          HG13      VAL  79  -4.902  15.716 -13.490
  590   1HG2  VAL  79          HG21      VAL  79  -7.871  16.701 -11.525
  591   2HG2  VAL  79          HG22      VAL  79  -7.144  15.425 -12.501
  592   3HG2  VAL  79          HG23      VAL  79  -6.597  15.668 -10.819
  593    H    THR  80           H        THR  80  -6.227  20.557 -11.958
  594    HA   THR  80           HA       THR  80  -8.375  20.920  -9.929
  595    HB   THR  80           HB       THR  80  -8.204  23.337 -10.876
  596    HG1  THR  80           HG1      THR  80  -6.850  22.880 -12.644
  597   1HG2  THR  80          HG21      THR  80  -6.102  21.899  -9.190
  598   2HG2  THR  80          HG22      THR  80  -6.060  23.654  -9.424
  599   3HG2  THR  80          HG23      THR  80  -7.458  22.901  -8.655
  600    H    LEU  81           H        LEU  81 -10.017  19.812 -10.619
  601    HA   LEU  81           HA       LEU  81 -10.404  19.022 -13.316
  602   1HB   LEU  81          HB2       LEU  81 -12.117  18.821 -10.819
  603   2HB   LEU  81          HB3       LEU  81 -12.577  18.064 -12.336
  604    HG   LEU  81           HG       LEU  81  -9.981  17.435 -10.865
  605   1HD1  LEU  81          HD11      LEU  81 -11.122  15.232 -10.340
  606   2HD1  LEU  81          HD12      LEU  81 -11.717  16.635  -9.466
  607   3HD1  LEU  81          HD13      LEU  81 -12.652  15.983 -10.835
  608   1HD2  LEU  81          HD21      LEU  81 -11.395  16.089 -13.203
  609   2HD2  LEU  81          HD22      LEU  81  -9.823  16.932 -13.249
  610   3HD2  LEU  81          HD23      LEU  81  -9.986  15.420 -12.362
  611    H    CYS  82           H        CYS  82 -11.257  22.113 -12.076
  612    HA   CYS  82           HA       CYS  82 -12.915  22.488 -14.403
  613   1HB   CYS  82          HB2       CYS  82 -14.533  21.615 -12.734
  614   2HB   CYS  82          HB3       CYS  82 -14.185  23.014 -11.689
  615    HG   CYS  82           HG       CYS  82 -16.479  22.834 -13.405
  616    H    GLY  83           H        GLY  83 -13.454  24.787 -14.701
  617   1HA   GLY  83          HA1       GLY  83 -11.237  26.285 -15.072
  618   2HA   GLY  83          HA2       GLY  83 -12.852  26.956 -14.949
  619    H    ASP  84           H        ASP  84 -13.664  27.265 -12.604
  620    HA   ASP  84           HA       ASP  84 -11.912  29.211 -11.470
  621   1HB   ASP  84          HB2       ASP  84 -14.355  29.405 -11.463
  622   2HB   ASP  84          HB3       ASP  84 -14.483  28.010 -10.396
  623    H    ALA  85           H        ALA  85 -12.241  25.791 -10.821
  624    HA   ALA  85           HA       ALA  85 -11.492  25.780  -8.073
  625   1HB   ALA  85          HB1       ALA  85 -11.144  23.437  -8.330
  626   2HB   ALA  85          HB2       ALA  85 -12.483  23.825  -9.419
  627   3HB   ALA  85          HB3       ALA  85 -10.850  23.573 -10.069
  628    H    ALA  86           H        ALA  86  -9.631  26.137 -11.044
  629    HA   ALA  86           HA       ALA  86  -7.077  25.409 -10.030
  630   1HB   ALA  86          HB1       ALA  86  -7.595  25.509 -12.402
  631   2HB   ALA  86          HB2       ALA  86  -7.819  27.276 -12.306
  632   3HB   ALA  86          HB3       ALA  86  -6.218  26.560 -12.020
  633    H    ASP  87           H        ASP  87  -8.968  28.274  -9.354
  634    HA   ASP  87           HA       ASP  87  -6.832  30.065  -8.756
  635   1HB   ASP  87          HB2       ASP  87  -9.191  30.764  -8.928
  636   2HB   ASP  87          HB3       ASP  87  -9.587  29.790  -7.504
  637    H    LYS  88           H        LYS  88  -8.166  27.278  -7.054
  638    HA   LYS  88           HA       LYS  88  -6.875  28.057  -4.519
  639   1HB   LYS  88          HB2       LYS  88  -9.260  27.242  -4.642
  640   2HB   LYS  88          HB3       LYS  88  -8.640  25.662  -5.126
  641   1HG   LYS  88          HG2       LYS  88  -9.184  25.641  -2.806
  642   2HG   LYS  88          HG3       LYS  88  -7.424  25.517  -2.947
  643   1HD   LYS  88          HD2       LYS  88  -7.153  27.862  -2.300
  644   2HD   LYS  88          HD3       LYS  88  -8.913  28.127  -2.389
  645   1HE   LYS  88          HE2       LYS  88  -9.251  26.460  -0.598
  646   2HE   LYS  88          HE3       LYS  88  -7.504  26.202  -0.490
  647   1HZ   LYS  88          HZ1       LYS  88  -8.893  28.760   0.099
  648   2HZ   LYS  88          HZ2       LYS  88  -8.276  27.744   1.209
  649   3HZ   LYS  88          HZ3       LYS  88  -7.277  28.533   0.194
  650    H    CYS  89           H        CYS  89  -4.760  27.903  -5.606
  651    HA   CYS  89           HA       CYS  89  -3.670  25.137  -5.340
  652   1HB   CYS  89          HB2       CYS  89  -1.901  25.885  -6.999
  653   2HB   CYS  89          HB3       CYS  89  -3.496  25.471  -7.631
  654    HG   CYS  89           HG       CYS  89  -4.362  27.720  -8.201
  655    HA   PRO  90           HA       PRO  90  -1.709  27.945  -2.202
  656   1HB   PRO  90          HB2       PRO  90  -2.046  26.403   0.021
  657   2HB   PRO  90          HB3       PRO  90  -3.323  27.467  -0.635
  658   1HG   PRO  90          HG2       PRO  90  -2.951  24.502  -1.155
  659   2HG   PRO  90          HG3       PRO  90  -4.437  25.348  -0.603
  660   1HD   PRO  90          HD2       PRO  90  -4.055  24.767  -3.221
  661   2HD   PRO  90          HD3       PRO  90  -4.780  26.320  -2.726
  662    H    MET  91           H        MET  91  -0.096  27.284  -3.758
  663    HA   MET  91           HA       MET  91   1.957  26.746  -4.323
  664   1HB   MET  91          HB2       MET  91   2.319  25.567  -1.548
  665   2HB   MET  91          HB3       MET  91   3.590  25.731  -2.756
  666   1HG   MET  91          HG2       MET  91   1.981  28.034  -1.603
  667   2HG   MET  91          HG3       MET  91   3.595  27.550  -1.086
  668   1HE   MET  91          HE1       MET  91   2.782  30.521  -1.906
  669   2HE   MET  91          HE2       MET  91   4.406  30.050  -1.354
  670   3HE   MET  91          HE3       MET  91   4.213  30.999  -2.844
  671    H    THR  92           H        THR  92   2.545  25.358  -5.744
  672    HA   THR  92           HA       THR  92   2.374  22.462  -5.279
  673    HB   THR  92           HB       THR  92   1.500  22.130  -7.629
  674    HG1  THR  92           HG1      THR  92   1.762  24.329  -8.297
  675   1HG2  THR  92          HG21      THR  92   0.065  21.826  -5.589
  676   2HG2  THR  92          HG22      THR  92  -0.524  23.485  -5.817
  677   3HG2  THR  92          HG23      THR  92  -0.812  22.257  -7.065
  678    HA   PRO  93           HA       PRO  93   6.513  24.175  -6.542
  679   1HB   PRO  93          HB2       PRO  93   7.187  21.570  -5.154
  680   2HB   PRO  93          HB3       PRO  93   8.054  23.135  -5.076
  681   1HG   PRO  93          HG2       PRO  93   6.438  22.388  -3.050
  682   2HG   PRO  93          HG3       PRO  93   6.390  24.078  -3.655
  683   1HD   PRO  93          HD2       PRO  93   4.493  21.809  -4.264
  684   2HD   PRO  93          HD3       PRO  93   4.140  23.519  -3.897
  685    HA   PRO  94           HA       PRO  94   7.452  21.724 -10.166
  686   1HB   PRO  94          HB2       PRO  94  10.163  21.078  -8.988
  687   2HB   PRO  94          HB3       PRO  94   9.756  21.600 -10.653
  688   1HG   PRO  94          HG2       PRO  94  10.721  23.399  -8.880
  689   2HG   PRO  94          HG3       PRO  94   9.329  23.841  -9.921
  690   1HD   PRO  94          HD2       PRO  94   9.311  22.952  -7.034
  691   2HD   PRO  94          HD3       PRO  94   8.387  24.272  -7.814
  692    H    HIS  95           H        HIS  95   8.212  20.138  -7.066
  693    HA   HIS  95           HA       HIS  95   8.193  17.435  -8.036
  694   1HB   HIS  95          HB2       HIS  95   7.643  18.497  -5.235
  695   2HB   HIS  95          HB3       HIS  95   8.118  16.855  -5.660
  696    HD1  HIS  95           HD1      HIS  95  10.712  16.922  -7.106
  697    HD2  HIS  95           HD2      HIS  95   9.623  19.924  -4.356
  698    HE1  HIS  95           HE1      HIS  95  12.871  18.074  -6.412
  699    H    VAL  96           H        VAL  96   5.653  19.614  -7.917
  700    HA   VAL  96           HA       VAL  96   3.517  17.604  -7.468
  701    HB   VAL  96           HB       VAL  96   3.555  20.520  -6.564
  702   1HG1  VAL  96          HG11      VAL  96   1.527  19.959  -5.350
  703   2HG1  VAL  96          HG12      VAL  96   1.325  19.597  -7.071
  704   3HG1  VAL  96          HG13      VAL  96   1.611  18.283  -5.919
  705   1HG2  VAL  96          HG21      VAL  96   5.147  19.460  -5.128
  706   2HG2  VAL  96          HG22      VAL  96   3.643  19.655  -4.229
  707   3HG2  VAL  96          HG23      VAL  96   4.086  18.066  -4.868
  708    H    LYS  97           H        LYS  97   3.513  17.336  -9.759
  709    HA   LYS  97           HA       LYS  97   3.460  19.657 -11.508
  710   1HB   LYS  97          HB2       LYS  97   3.579  18.170 -13.285
  711   2HB   LYS  97          HB3       LYS  97   4.475  17.365 -12.008
  712   1HG   LYS  97          HG2       LYS  97   2.050  16.218 -11.603
  713   2HG   LYS  97          HG3       LYS  97   1.880  16.648 -13.316
  714   1HD   LYS  97          HD2       LYS  97   4.087  15.447 -13.733
  715   2HD   LYS  97          HD3       LYS  97   4.070  14.969 -12.022
  716   1HE   LYS  97          HE2       LYS  97   1.691  14.011 -12.570
  717   2HE   LYS  97          HE3       LYS  97   2.196  14.121 -14.264
  718   1HZ   LYS  97          HZ1       LYS  97   4.140  12.715 -13.587
  719   2HZ   LYS  97          HZ2       LYS  97   3.487  12.575 -12.075
  720   3HZ   LYS  97          HZ3       LYS  97   2.712  11.951 -13.377
  721    H    ARG  98           H        ARG  98   1.608  19.774 -13.156
  722    HA   ARG  98           HA       ARG  98  -0.997  19.475 -11.793
  723   1HB   ARG  98          HB2       ARG  98   0.320  22.035 -12.725
  724   2HB   ARG  98          HB3       ARG  98  -1.435  21.864 -12.778
  725   1HG   ARG  98          HG2       ARG  98  -1.459  21.247 -10.368
  726   2HG   ARG  98          HG3       ARG  98   0.281  21.482 -10.287
  727   1HD   ARG  98          HD2       ARG  98  -1.110  23.416  -9.416
  728   2HD   ARG  98          HD3       ARG  98   0.120  23.819 -10.607
  729    HE   ARG  98           HE       ARG  98  -1.481  24.782 -11.831
  730   1HH1  ARG  98          HH21      ARG  98  -3.168  22.138 -10.127
  731   2HH1  ARG  98          HH22      ARG  98  -4.681  22.474 -10.940
  732   1HH2  ARG  98          HH11      ARG  98  -3.555  25.198 -12.776
  733   2HH2  ARG  98          HH12      ARG  98  -4.903  24.192 -12.331
  734    H    GLU  99           H        GLU  99  -2.821  19.650 -13.067
  735    HA   GLU  99           HA       GLU  99  -2.675  19.928 -15.941
  736   1HB   GLU  99          HB2       GLU  99  -2.714  17.302 -14.844
  737   2HB   GLU  99          HB3       GLU  99  -4.393  17.631 -15.273
  738   1HG   GLU  99          HG2       GLU  99  -1.987  17.858 -17.139
  739   2HG   GLU  99          HG3       GLU  99  -3.059  16.463 -17.010
  740    H    HIS 100           H        HIS 100  -5.066  20.236 -16.678
  741    HA   HIS 100           HA       HIS 100  -6.835  21.136 -14.474
  742   1HB   HIS 100          HB2       HIS 100  -5.206  22.948 -14.761
  743   2HB   HIS 100          HB3       HIS 100  -5.487  22.966 -16.500
  744    HD1  HIS 100           HD1      HIS 100  -8.593  22.858 -14.211
  745    HD2  HIS 100           HD2      HIS 100  -6.179  25.543 -16.402
  746    HE1  HIS 100           HE1      HIS 100  -9.794  25.071 -14.219
  747    H    TRP 101           H        TRP 101  -8.836  20.545 -15.030
  748    HA   TRP 101           HA       TRP 101  -9.618  20.448 -17.914
  749   1HB   TRP 101          HB2       TRP 101 -10.581  18.636 -15.700
  750   2HB   TRP 101          HB3       TRP 101 -11.004  18.573 -17.411
  751    HD1  TRP 101           HD1      TRP 101  -7.802  18.965 -18.297
  752    HE1  TRP 101           HE1      TRP 101  -6.211  17.021 -18.152
  753    HE3  TRP 101           HE3      TRP 101 -10.641  15.863 -15.376
  754    HZ2  TRP 101           HZ2      TRP 101  -6.067  14.479 -16.781
  755    HZ3  TRP 101           HZ3      TRP 101  -9.740  13.665 -14.671
  756    HH2  TRP 101           HH2      TRP 101  -7.446  12.974 -15.344
  757    H    GLY 102           H        GLY 102 -12.331  20.236 -17.745
  758   1HA   GLY 102          HA1       GLY 102 -13.156  22.810 -16.454
  759   2HA   GLY 102          HA2       GLY 102 -13.384  22.473 -18.159
  760    H    PHE 103           H        PHE 103 -13.932  20.339 -15.288
  761    HA   PHE 103           HA       PHE 103 -16.434  19.437 -16.460
  762   1HB   PHE 103          HB2       PHE 103 -14.851  18.634 -14.006
  763   2HB   PHE 103          HB3       PHE 103 -16.441  17.982 -14.373
  764    HD1  PHE 103           HD1      PHE 103 -12.933  18.197 -15.662
  765    HD2  PHE 103           HD2      PHE 103 -16.821  16.408 -16.133
  766    HE1  PHE 103           HE1      PHE 103 -12.001  16.608 -17.332
  767    HE2  PHE 103           HE2      PHE 103 -15.874  14.764 -17.698
  768    HZ   PHE 103           HZ       PHE 103 -13.464  14.883 -18.353
  769    H    ASP 104           H        ASP 104 -18.097  20.776 -16.354
  770    HA   ASP 104           HA       ASP 104 -18.822  22.458 -14.143
  771   1HB   ASP 104          HB2       ASP 104 -19.654  22.756 -16.470
  772   2HB   ASP 104          HB3       ASP 104 -20.522  21.219 -16.332
  773    H    ASP 105           H        ASP 105 -20.658  22.094 -12.692
  774    HA   ASP 105           HA       ASP 105 -20.200  19.576 -11.384
  775   1HB   ASP 105          HB2       ASP 105 -20.439  21.827 -10.276
  776   2HB   ASP 105          HB3       ASP 105 -22.184  21.688 -10.529
  777    HA   PRO 106           HA       PRO 106 -23.672  17.625 -13.395
  778   1HB   PRO 106          HB2       PRO 106 -23.537  15.116 -12.260
  779   2HB   PRO 106          HB3       PRO 106 -22.380  15.694 -13.495
  780   1HG   PRO 106          HG2       PRO 106 -22.067  15.664 -10.480
  781   2HG   PRO 106          HG3       PRO 106 -20.891  15.123 -11.719
  782   1HD   PRO 106          HD2       PRO 106 -20.766  17.596 -10.562
  783   2HD   PRO 106          HD3       PRO 106 -20.325  17.345 -12.281
  784    H    ALA 107           H        ALA 107 -23.416  17.687  -9.823
  785    HA   ALA 107           HA       ALA 107 -26.022  16.606  -9.386
  786   1HB   ALA 107          HB1       ALA 107 -24.255  16.568  -7.673
  787   2HB   ALA 107          HB2       ALA 107 -24.313  18.338  -7.556
  788   3HB   ALA 107          HB3       ALA 107 -25.718  17.374  -7.069
  789    H    ARG 108           H        ARG 108 -24.986  19.753 -10.395
  790    HA   ARG 108           HA       ARG 108 -27.608  20.982  -9.710
  791   1HB   ARG 108          HB2       ARG 108 -24.934  22.240 -10.486
  792   2HB   ARG 108          HB3       ARG 108 -26.439  23.124 -10.277
  793   1HG   ARG 108          HG2       ARG 108 -25.462  23.461  -8.243
  794   2HG   ARG 108          HG3       ARG 108 -26.545  22.106  -7.902
  795   1HD   ARG 108          HD2       ARG 108 -24.605  20.553  -8.102
  796   2HD   ARG 108          HD3       ARG 108 -23.548  21.938  -8.435
  797    HE   ARG 108           HE       ARG 108 -24.816  22.511  -6.028
  798   1HH1  ARG 108          HH21      ARG 108 -22.636  19.951  -7.242
  799   2HH1  ARG 108          HH22      ARG 108 -21.955  19.628  -5.688
  800   1HH2  ARG 108          HH11      ARG 108 -23.903  22.053  -3.971
  801   2HH2  ARG 108          HH12      ARG 108 -22.707  20.831  -3.787
  802    H    ALA 109           H        ALA 109 -26.584  19.153 -12.200
  803    HA   ALA 109           HA       ALA 109 -27.164  20.752 -14.492
  804   1HB   ALA 109          HB1       ALA 109 -27.222  17.738 -14.117
  805   2HB   ALA 109          HB2       ALA 109 -27.083  18.617 -15.654
  806   3HB   ALA 109          HB3       ALA 109 -25.760  18.705 -14.470
  807    H    GLN 110           H        GLN 110 -29.276  20.698 -12.400
  808    HA   GLN 110           HA       GLN 110 -31.501  19.107 -12.943
  809   1HB   GLN 110          HB2       GLN 110 -31.572  21.921 -11.806
  810   2HB   GLN 110          HB3       GLN 110 -32.772  20.635 -11.616
  811   1HG   GLN 110          HG2       GLN 110 -30.650  19.298 -10.658
  812   2HG   GLN 110          HG3       GLN 110 -30.064  20.931 -10.329
  813   1HE2  GLN 110          HE22      GLN 110 -32.157  22.344  -9.421
  814   2HE2  GLN 110          HE21      GLN 110 -32.916  21.584  -8.042
  815    H    GLY 111           H        GLY 111 -33.496  19.561 -13.946
  816   1HA   GLY 111          HA1       GLY 111 -34.394  21.771 -15.338
  817   2HA   GLY 111          HA2       GLY 111 -33.464  20.835 -16.538
  818    H    THR 112           H        THR 112 -33.811  18.298 -15.957
  819    HA   THR 112           HA       THR 112 -36.378  17.513 -15.016
  820    HB   THR 112           HB       THR 112 -37.086  18.027 -17.274
  821    HG1  THR 112           HG1      THR 112 -38.057  16.234 -16.576
  822   1HG2  THR 112          HG21      THR 112 -34.858  16.227 -18.279
  823   2HG2  THR 112          HG22      THR 112 -36.170  16.910 -19.260
  824   3HG2  THR 112          HG23      THR 112 -34.990  17.990 -18.508
  825    H    GLU 113           H        GLU 113 -36.280  15.106 -14.624
  826    HA   GLU 113           HA       GLU 113 -33.766  14.594 -13.448
  827   1HB   GLU 113          HB2       GLU 113 -35.810  13.635 -12.567
  828   2HB   GLU 113          HB3       GLU 113 -36.072  12.700 -14.051
  829   1HG   GLU 113          HG2       GLU 113 -34.071  11.383 -13.659
  830   2HG   GLU 113          HG3       GLU 113 -33.597  12.400 -12.291
  831    H    GLU 114           H        GLU 114 -35.122  13.463 -16.535
  832    HA   GLU 114           HA       GLU 114 -32.965  11.714 -17.109
  833   1HB   GLU 114          HB2       GLU 114 -33.802  11.639 -19.386
  834   2HB   GLU 114          HB3       GLU 114 -35.124  11.514 -18.227
  835   1HG   GLU 114          HG2       GLU 114 -35.661  13.926 -18.602
  836   2HG   GLU 114          HG3       GLU 114 -34.353  14.022 -19.785
  837    H    GLU 115           H        GLU 115 -33.278  15.220 -17.451
  838    HA   GLU 115           HA       GLU 115 -31.036  15.503 -19.240
  839   1HB   GLU 115          HB2       GLU 115 -32.832  17.177 -19.173
  840   2HB   GLU 115          HB3       GLU 115 -32.455  17.537 -17.488
  841   1HG   GLU 115          HG2       GLU 115 -31.509  19.270 -18.746
  842   2HG   GLU 115          HG3       GLU 115 -30.151  18.281 -18.238
  843    H    LYS 116           H        LYS 116 -31.683  15.979 -15.750
  844    HA   LYS 116           HA       LYS 116 -29.156  16.631 -14.819
  845   1HB   LYS 116          HB2       LYS 116 -31.341  16.724 -13.646
  846   2HB   LYS 116          HB3       LYS 116 -31.348  14.958 -13.503
  847   1HG   LYS 116          HG2       LYS 116 -29.384  14.984 -12.146
  848   2HG   LYS 116          HG3       LYS 116 -29.132  16.726 -12.433
  849   1HD   LYS 116          HD2       LYS 116 -31.475  17.013 -11.299
  850   2HD   LYS 116          HD3       LYS 116 -31.245  15.334 -10.743
  851   1HE   LYS 116          HE2       LYS 116 -28.965  16.046  -9.882
  852   2HE   LYS 116          HE3       LYS 116 -29.365  17.700 -10.352
  853   1HZ   LYS 116          HZ1       LYS 116 -29.759  17.292  -7.991
  854   2HZ   LYS 116          HZ2       LYS 116 -31.169  17.673  -8.711
  855   3HZ   LYS 116          HZ3       LYS 116 -30.842  16.112  -8.313
  856    H    TRP 117           H        TRP 117 -30.632  13.374 -15.138
  857    HA   TRP 117           HA       TRP 117 -28.331  11.905 -14.346
  858   1HB   TRP 117          HB2       TRP 117 -30.636  10.993 -14.379
  859   2HB   TRP 117          HB3       TRP 117 -30.623  11.018 -16.142
  860    HD1  TRP 117           HD1      TRP 117 -29.182   9.149 -17.374
  861    HE1  TRP 117           HE1      TRP 117 -28.100   6.936 -16.610
  862    HE3  TRP 117           HE3      TRP 117 -29.406   9.831 -12.312
  863    HZ2  TRP 117           HZ2      TRP 117 -27.211   5.761 -14.161
  864    HZ3  TRP 117           HZ3      TRP 117 -28.299   8.226 -10.789
  865    HH2  TRP 117           HH2      TRP 117 -27.193   6.182 -11.697
  866    H    ALA 118           H        ALA 118 -29.485  12.881 -17.667
  867    HA   ALA 118           HA       ALA 118 -27.449  11.518 -19.070
  868   1HB   ALA 118          HB1       ALA 118 -28.795  14.164 -19.769
  869   2HB   ALA 118          HB2       ALA 118 -27.833  13.165 -20.876
  870   3HB   ALA 118          HB3       ALA 118 -29.356  12.537 -20.223
  871    H    PHE 119           H        PHE 119 -27.372  14.695 -17.394
  872    HA   PHE 119           HA       PHE 119 -24.757  15.360 -18.302
  873   1HB   PHE 119          HB2       PHE 119 -26.635  16.750 -17.041
  874   2HB   PHE 119          HB3       PHE 119 -25.726  16.266 -15.614
  875    HD1  PHE 119           HD1      PHE 119 -25.859  18.416 -18.556
  876    HD2  PHE 119           HD2      PHE 119 -23.247  16.924 -15.466
  877    HE1  PHE 119           HE1      PHE 119 -24.258  20.253 -19.019
  878    HE2  PHE 119           HE2      PHE 119 -21.667  18.791 -15.899
  879    HZ   PHE 119           HZ       PHE 119 -22.165  20.444 -17.699
  880    H    PHE 120           H        PHE 120 -25.897  13.444 -15.447
  881    HA   PHE 120           HA       PHE 120 -23.364  13.042 -14.228
  882   1HB   PHE 120          HB2       PHE 120 -25.495  10.898 -14.453
  883   2HB   PHE 120          HB3       PHE 120 -24.202  11.009 -13.296
  884    HD1  PHE 120           HD1      PHE 120 -26.604  10.295 -12.269
  885    HD2  PHE 120           HD2      PHE 120 -25.365  14.322 -13.195
  886    HE1  PHE 120           HE1      PHE 120 -28.247  11.185 -10.638
  887    HE2  PHE 120           HE2      PHE 120 -26.945  15.188 -11.527
  888    HZ   PHE 120           HZ       PHE 120 -28.414  13.632 -10.252
  889    H    GLN 121           H        GLN 121 -25.063  11.269 -16.867
  890    HA   GLN 121           HA       GLN 121 -23.094   9.286 -17.306
  891   1HB   GLN 121          HB2       GLN 121 -25.123  10.484 -19.241
  892   2HB   GLN 121          HB3       GLN 121 -24.127   9.088 -19.598
  893   1HG   GLN 121          HG2       GLN 121 -26.131   9.260 -17.306
  894   2HG   GLN 121          HG3       GLN 121 -26.416   8.473 -18.852
  895   1HE2  GLN 121          HE22      GLN 121 -25.797   7.688 -15.743
  896   2HE2  GLN 121          HE21      GLN 121 -24.825   6.254 -15.971
  897    H    ARG 122           H        ARG 122 -23.510  12.443 -18.953
  898    HA   ARG 122           HA       ARG 122 -21.242  12.181 -20.652
  899   1HB   ARG 122          HB2       ARG 122 -22.796  14.565 -19.597
  900   2HB   ARG 122          HB3       ARG 122 -21.232  14.831 -20.354
  901   1HG   ARG 122          HG2       ARG 122 -22.829  15.126 -22.055
  902   2HG   ARG 122          HG3       ARG 122 -21.980  13.615 -22.390
  903   1HD   ARG 122          HD2       ARG 122 -23.914  12.355 -21.411
  904   2HD   ARG 122          HD3       ARG 122 -24.744  13.890 -21.138
  905    HE   ARG 122           HE       ARG 122 -24.270  12.505 -23.692
  906   1HH1  ARG 122          HH21      ARG 122 -25.475  15.465 -22.135
  907   2HH1  ARG 122          HH22      ARG 122 -26.407  15.966 -23.496
  908   1HH2  ARG 122          HH11      ARG 122 -25.503  13.182 -25.502
  909   2HH2  ARG 122          HH12      ARG 122 -26.416  14.641 -25.452
  910    H    VAL 123           H        VAL 123 -21.480  13.671 -17.369
  911    HA   VAL 123           HA       VAL 123 -18.725  14.364 -17.326
  912    HB   VAL 123           HB       VAL 123 -20.831  14.026 -15.151
  913   1HG1  VAL 123          HG11      VAL 123 -17.974  15.016 -14.773
  914   2HG1  VAL 123          HG12      VAL 123 -19.294  15.260 -13.614
  915   3HG1  VAL 123          HG13      VAL 123 -18.736  13.626 -13.981
  916   1HG2  VAL 123          HG21      VAL 123 -19.446  16.484 -16.349
  917   2HG2  VAL 123          HG22      VAL 123 -21.082  15.936 -16.746
  918   3HG2  VAL 123          HG23      VAL 123 -20.712  16.507 -15.114
  919    H    ARG 124           H        ARG 124 -20.328  11.330 -15.970
  920    HA   ARG 124           HA       ARG 124 -17.798  10.454 -15.021
  921   1HB   ARG 124          HB2       ARG 124 -18.755   8.269 -14.674
  922   2HB   ARG 124          HB3       ARG 124 -19.976   9.462 -14.239
  923   1HG   ARG 124          HG2       ARG 124 -21.125   9.032 -16.396
  924   2HG   ARG 124          HG3       ARG 124 -19.886   7.839 -16.818
  925   1HD   ARG 124          HD2       ARG 124 -20.508   6.550 -14.753
  926   2HD   ARG 124          HD3       ARG 124 -21.883   7.654 -14.541
  927    HE   ARG 124           HE       ARG 124 -22.082   6.804 -17.166
  928   1HH1  ARG 124          HH21      ARG 124 -22.136   5.096 -14.026
  929   2HH1  ARG 124          HH22      ARG 124 -22.885   3.690 -14.710
  930   1HH2  ARG 124          HH11      ARG 124 -23.343   5.092 -17.899
  931   2HH2  ARG 124          HH12      ARG 124 -23.530   3.648 -16.963
  932    H    ASP 125           H        ASP 125 -19.400   9.933 -18.167
  933    HA   ASP 125           HA       ASP 125 -17.512   8.095 -19.195
  934   1HB   ASP 125          HB2       ASP 125 -19.646   8.514 -20.304
  935   2HB   ASP 125          HB3       ASP 125 -19.177  10.183 -20.651
  936    H    GLU 126           H        GLU 126 -17.541  11.705 -19.261
  937    HA   GLU 126           HA       GLU 126 -15.110  11.812 -20.744
  938   1HB   GLU 126          HB2       GLU 126 -16.879  13.846 -19.421
  939   2HB   GLU 126          HB3       GLU 126 -15.278  14.313 -19.987
  940   1HG   GLU 126          HG2       GLU 126 -17.410  12.990 -21.699
  941   2HG   GLU 126          HG3       GLU 126 -17.050  14.719 -21.665
  942    H    ILE 127           H        ILE 127 -15.802  11.971 -17.217
  943    HA   ILE 127           HA       ILE 127 -13.124  12.702 -16.529
  944    HB   ILE 127           HB       ILE 127 -15.460  12.355 -15.085
  945   1HG1  ILE 127          HG12      ILE 127 -14.020  12.628 -13.001
  946   2HG1  ILE 127          HG13      ILE 127 -12.608  12.611 -14.074
  947   1HG2  ILE 127          HG21      ILE 127 -15.278   9.973 -14.933
  948   2HG2  ILE 127          HG22      ILE 127 -13.705  10.131 -14.102
  949   3HG2  ILE 127          HG23      ILE 127 -15.197  10.756 -13.358
  950   1HD1  ILE 127          HD11      ILE 127 -15.012  14.472 -14.326
  951   2HD1  ILE 127          HD12      ILE 127 -13.518  14.892 -13.454
  952   3HD1  ILE 127          HD13      ILE 127 -13.461  14.592 -15.202
  953    H    GLY 128           H        GLY 128 -14.748   9.531 -17.033
  954   1HA   GLY 128          HA1       GLY 128 -12.538   7.881 -16.442
  955   2HA   GLY 128          HA2       GLY 128 -13.924   7.459 -17.475
  956    H    ASN 129           H        ASN 129 -13.712   9.175 -19.595
  957    HA   ASN 129           HA       ASN 129 -11.707   8.192 -21.295
  958   1HB   ASN 129          HB2       ASN 129 -13.691   9.259 -22.181
  959   2HB   ASN 129          HB3       ASN 129 -13.353  10.735 -21.282
  960   1HD2  ASN 129          HD22      ASN 129 -13.122  12.294 -22.863
  961   2HD2  ASN 129          HD21      ASN 129 -11.926  12.165 -24.134
  962    H    ARG 130           H        ARG 130 -11.655  11.204 -19.318
  963    HA   ARG 130           HA       ARG 130  -9.164  12.037 -20.472
  964   1HB   ARG 130          HB2       ARG 130 -11.094  13.236 -18.780
  965   2HB   ARG 130          HB3       ARG 130  -9.696  13.069 -17.748
  966   1HG   ARG 130          HG2       ARG 130  -9.684  15.235 -18.828
  967   2HG   ARG 130          HG3       ARG 130  -8.316  14.288 -19.414
  968   1HD   ARG 130          HD2       ARG 130  -9.370  15.526 -21.255
  969   2HD   ARG 130          HD3       ARG 130  -9.539  13.801 -21.516
  970    HE   ARG 130           HE       ARG 130 -11.818  13.922 -21.274
  971   1HH1  ARG 130          HH11      ARG 130 -10.465  17.056 -20.274
  972   2HH1  ARG 130          HH12      ARG 130 -11.965  17.895 -20.431
  973   1HH2  ARG 130          HH21      ARG 130 -13.728  15.015 -21.580
  974   2HH2  ARG 130          HH22      ARG 130 -13.902  16.692 -21.131
  975    H    LEU 131           H        LEU 131 -10.028  10.204 -17.552
  976    HA   LEU 131           HA       LEU 131  -7.327  10.025 -16.596
  977   1HB   LEU 131          HB2       LEU 131  -9.851   8.441 -15.998
  978   2HB   LEU 131          HB3       LEU 131  -8.335   8.168 -15.127
  979    HG   LEU 131           HG       LEU 131  -9.528  10.972 -15.325
  980   1HD1  LEU 131          HD11      LEU 131 -10.584  10.604 -13.156
  981   2HD1  LEU 131          HD12      LEU 131 -11.271   9.569 -14.415
  982   3HD1  LEU 131          HD13      LEU 131 -10.141   8.882 -13.224
  983   1HD2  LEU 131          HD21      LEU 131  -7.640   9.663 -13.330
  984   2HD2  LEU 131          HD22      LEU 131  -7.168  10.790 -14.606
  985   3HD2  LEU 131          HD23      LEU 131  -8.225  11.348 -13.315
  986    H    LYS 132           H        LYS 132  -9.281   7.941 -18.752
  987    HA   LYS 132           HA       LYS 132  -7.358   5.884 -19.045
  988   1HB   LYS 132          HB2       LYS 132  -9.495   5.422 -19.827
  989   2HB   LYS 132          HB3       LYS 132  -9.684   6.938 -20.659
  990   1HG   LYS 132          HG2       LYS 132  -7.605   5.032 -21.738
  991   2HG   LYS 132          HG3       LYS 132  -9.312   4.607 -21.907
  992   1HD   LYS 132          HD2       LYS 132  -9.682   6.947 -22.901
  993   2HD   LYS 132          HD3       LYS 132  -7.928   7.067 -23.041
  994   1HE   LYS 132          HE2       LYS 132  -9.691   4.908 -24.287
  995   2HE   LYS 132          HE3       LYS 132  -9.062   6.323 -25.128
  996   1HZ   LYS 132          HZ1       LYS 132  -7.414   4.134 -24.002
  997   2HZ   LYS 132          HZ2       LYS 132  -7.710   4.408 -25.576
  998   3HZ   LYS 132          HZ3       LYS 132  -6.813   5.475 -24.741
  999    H    GLU 133           H        GLU 133  -7.758   8.928 -20.954
 1000    HA   GLU 133           HA       GLU 133  -5.423   8.400 -22.554
 1001   1HB   GLU 133          HB2       GLU 133  -6.752  11.024 -21.761
 1002   2HB   GLU 133          HB3       GLU 133  -5.406  10.884 -22.908
 1003   1HG   GLU 133          HG2       GLU 133  -6.776   9.393 -24.345
 1004   2HG   GLU 133          HG3       GLU 133  -8.153   9.602 -23.264
 1005    H    PHE 134           H        PHE 134  -5.827  10.285 -19.499
 1006    HA   PHE 134           HA       PHE 134  -3.160  11.108 -19.277
 1007   1HB   PHE 134          HB2       PHE 134  -4.829  12.006 -17.856
 1008   2HB   PHE 134          HB3       PHE 134  -5.305  10.408 -17.279
 1009    HD1  PHE 134           HD1      PHE 134  -4.270   9.351 -15.449
 1010    HD2  PHE 134           HD2      PHE 134  -2.637  12.991 -17.077
 1011    HE1  PHE 134           HE1      PHE 134  -2.658   9.485 -13.549
 1012    HE2  PHE 134           HE2      PHE 134  -1.011  13.099 -15.213
 1013    HZ   PHE 134           HZ       PHE 134  -1.029  11.341 -13.456
 1014    H    ALA 135           H        ALA 135  -4.627   7.997 -18.375
 1015    HA   ALA 135           HA       ALA 135  -2.255   6.940 -17.164
 1016   1HB   ALA 135          HB1       ALA 135  -4.709   5.503 -18.252
 1017   2HB   ALA 135          HB2       ALA 135  -3.467   4.798 -17.196
 1018   3HB   ALA 135          HB3       ALA 135  -4.492   6.117 -16.597
 1019    H    GLU 136           H        GLU 136  -3.793   6.444 -20.351
 1020    HA   GLU 136           HA       GLU 136  -1.870   4.545 -21.258
 1021   1HB   GLU 136          HB2       GLU 136  -4.012   6.165 -22.673
 1022   2HB   GLU 136          HB3       GLU 136  -2.998   5.001 -23.519
 1023   1HG   GLU 136          HG2       GLU 136  -4.746   4.273 -21.125
 1024   2HG   GLU 136          HG3       GLU 136  -5.239   4.115 -22.805
 1025    H    THR 137           H        THR 137  -2.153   8.048 -21.711
 1026    HA   THR 137           HA       THR 137   0.078   8.074 -23.527
 1027    HB   THR 137           HB       THR 137  -0.395  10.383 -23.826
 1028    HG1  THR 137           HG1      THR 137  -2.381  10.132 -21.840
 1029   1HG2  THR 137          HG21      THR 137  -1.800   8.750 -25.024
 1030   2HG2  THR 137          HG22      THR 137  -2.976   8.751 -23.706
 1031   3HG2  THR 137          HG23      THR 137  -2.710  10.232 -24.652
 1032    H    GLY 138           H        GLY 138  -0.427   8.293 -20.113
 1033   1HA   GLY 138          HA1       GLY 138   0.850   8.794 -18.331
 1034   2HA   GLY 138          HA2       GLY 138   2.305   8.599 -19.345
 1035    H    LYS 139           H        LYS 139  -0.474  10.807 -19.654
 1036    HA   LYS 139           HA       LYS 139   0.886  12.914 -20.725
 1037   1HB   LYS 139          HB2       LYS 139  -1.627  12.438 -20.471
 1038   2HB   LYS 139          HB3       LYS 139  -1.540  13.311 -18.943
 1039   1HG   LYS 139          HG2       LYS 139  -0.819  15.330 -20.023
 1040   2HG   LYS 139          HG3       LYS 139  -0.545  14.504 -21.559
 1041   1HD   LYS 139          HD2       LYS 139  -3.224  15.052 -20.229
 1042   2HD   LYS 139          HD3       LYS 139  -2.595  15.797 -21.690
 1043   1HE   LYS 139          HE2       LYS 139  -3.567  12.929 -21.332
 1044   2HE   LYS 139          HE3       LYS 139  -4.282  14.209 -22.313
 1045   1HZ   LYS 139          HZ1       LYS 139  -1.828  12.666 -22.848
 1046   2HZ   LYS 139          HZ2       LYS 139  -3.147  12.818 -23.777
 1047   3HZ   LYS 139          HZ3       LYS 139  -2.136  14.090 -23.642
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1   0.457  -0.132  -0.116
    2   2H    MET   1           H2       MET   1   0.307  -0.550  -1.699
    3   3H    MET   1           H3       MET   1   1.227  -1.467  -0.694
    4    HA   MET   1           HA       MET   1   2.844   0.198  -0.446
    5   1HB   MET   1          HB2       MET   1   2.937  -1.247  -2.501
    6   2HB   MET   1          HB3       MET   1   2.087   0.011  -3.402
    7   1HG   MET   1          HG2       MET   1   4.524  -0.008  -3.777
    8   2HG   MET   1          HG3       MET   1   3.945   1.532  -3.166
    9   1HE   MET   1          HE1       MET   1   6.478   2.220  -2.705
   10   2HE   MET   1          HE2       MET   1   7.606   1.241  -1.741
   11   3HE   MET   1          HE3       MET   1   7.013   0.633  -3.303
   12    H    GLU   2           H        GLU   2   3.623   2.398  -0.976
   13    HA   GLU   2           HA       GLU   2   1.610   4.330  -1.934
   14   1HB   GLU   2          HB2       GLU   2   3.355   4.723   0.549
   15   2HB   GLU   2          HB3       GLU   2   2.347   5.953  -0.229
   16   1HG   GLU   2          HG2       GLU   2   0.322   4.613   0.313
   17   2HG   GLU   2          HG3       GLU   2   1.328   3.408   1.115
   18    H    ASN   3           H        ASN   3   2.657   5.553  -3.519
   19    HA   ASN   3           HA       ASN   3   5.596   5.629  -3.612
   20   1HB   ASN   3          HB2       ASN   3   5.383   3.501  -4.550
   21   2HB   ASN   3          HB3       ASN   3   3.961   3.929  -5.479
   22   1HD2  ASN   3          HD22      ASN   3   4.208   4.909  -7.508
   23   2HD2  ASN   3          HD21      ASN   3   5.783   5.180  -8.248
   24    H    LYS   4           H        LYS   4   2.566   6.359  -5.346
   25    HA   LYS   4           HA       LYS   4   3.583   9.113  -5.855
   26   1HB   LYS   4          HB2       LYS   4   2.125   7.247  -7.781
   27   2HB   LYS   4          HB3       LYS   4   2.091   8.995  -7.980
   28   1HG   LYS   4          HG2       LYS   4   4.343   9.158  -8.539
   29   2HG   LYS   4          HG3       LYS   4   4.785   7.676  -7.705
   30   1HD   LYS   4          HD2       LYS   4   4.962   7.304 -10.091
   31   2HD   LYS   4          HD3       LYS   4   3.688   6.308  -9.399
   32   1HE   LYS   4          HE2       LYS   4   2.798   7.064 -11.410
   33   2HE   LYS   4          HE3       LYS   4   2.000   8.025 -10.169
   34   1HZ   LYS   4          HZ1       LYS   4   4.289   8.971 -11.804
   35   2HZ   LYS   4          HZ2       LYS   4   2.724   9.340 -12.077
   36   3HZ   LYS   4          HZ3       LYS   4   3.447   9.894 -10.730
   37    H    ILE   5           H        ILE   5   1.681  10.633  -6.047
   38    HA   ILE   5           HA       ILE   5  -0.769   9.710  -4.650
   39    HB   ILE   5           HB       ILE   5   1.116  11.942  -3.808
   40   1HG1  ILE   5          HG12      ILE   5  -0.106   9.692  -2.167
   41   2HG1  ILE   5          HG13      ILE   5   1.518   9.673  -2.849
   42   1HG2  ILE   5          HG21      ILE   5  -1.164  12.913  -3.832
   43   2HG2  ILE   5          HG22      ILE   5  -1.768  11.540  -2.892
   44   3HG2  ILE   5          HG23      ILE   5  -0.630  12.710  -2.177
   45   1HD1  ILE   5          HD11      ILE   5   2.080  11.718  -1.510
   46   2HD1  ILE   5          HD12      ILE   5   0.514  11.540  -0.678
   47   3HD1  ILE   5          HD13      ILE   5   1.728  10.262  -0.558
   48    H    ILE   6           H        ILE   6  -2.515  10.528  -5.707
   49    HA   ILE   6           HA       ILE   6  -2.144  12.869  -7.499
   50    HB   ILE   6           HB       ILE   6  -2.247  11.076  -8.985
   51   1HG1  ILE   6          HG12      ILE   6  -5.063  12.224  -8.774
   52   2HG1  ILE   6          HG13      ILE   6  -3.667  13.009  -9.517
   53   1HG2  ILE   6          HG21      ILE   6  -3.924   9.275  -9.009
   54   2HG2  ILE   6          HG22      ILE   6  -2.992   9.244  -7.529
   55   3HG2  ILE   6          HG23      ILE   6  -4.636   9.920  -7.516
   56   1HD1  ILE   6          HD11      ILE   6  -5.129  10.522 -10.483
   57   2HD1  ILE   6          HD12      ILE   6  -4.962  12.086 -11.293
   58   3HD1  ILE   6          HD13      ILE   6  -3.551  11.019 -11.131
   59    H    TYR   7           H        TYR   7  -3.449  14.498  -6.949
   60    HA   TYR   7           HA       TYR   7  -5.577  13.972  -4.942
   61   1HB   TYR   7          HB2       TYR   7  -3.385  14.893  -4.098
   62   2HB   TYR   7          HB3       TYR   7  -3.678  16.340  -5.047
   63    HD1  TYR   7           HD1      TYR   7  -6.090  14.323  -2.910
   64    HD2  TYR   7           HD2      TYR   7  -3.878  17.998  -3.400
   65    HE1  TYR   7           HE1      TYR   7  -7.135  15.217  -0.867
   66    HE2  TYR   7           HE2      TYR   7  -4.865  18.862  -1.294
   67    HH   TYR   7           HH       TYR   7  -7.205  16.983   0.651
   68    H    PHE   8           H        PHE   8  -7.424  14.140  -6.105
   69    HA   PHE   8           HA       PHE   8  -7.720  16.048  -8.292
   70   1HB   PHE   8          HB2       PHE   8  -9.719  14.275  -6.833
   71   2HB   PHE   8          HB3       PHE   8 -10.133  15.312  -8.192
   72    HD1  PHE   8           HD1      PHE   8  -8.951  15.003 -10.413
   73    HD2  PHE   8           HD2      PHE   8  -8.733  12.101  -7.226
   74    HE1  PHE   8           HE1      PHE   8  -8.074  13.319 -12.008
   75    HE2  PHE   8           HE2      PHE   8  -7.885  10.415  -8.839
   76    HZ   PHE   8           HZ       PHE   8  -7.518  11.027 -11.205
   77    H    LEU   9           H        LEU   9  -8.970  17.898  -8.329
   78    HA   LEU   9           HA       LEU   9  -9.913  19.105  -5.776
   79   1HB   LEU   9          HB2       LEU   9  -7.623  19.843  -7.518
   80   2HB   LEU   9          HB3       LEU   9  -8.815  21.114  -7.496
   81    HG   LEU   9           HG       LEU   9  -7.079  21.533  -5.910
   82   1HD1  LEU   9          HD11      LEU   9  -8.411  22.221  -4.093
   83   2HD1  LEU   9          HD12      LEU   9  -9.505  22.209  -5.469
   84   3HD1  LEU   9          HD13      LEU   9  -9.553  20.876  -4.282
   85   1HD2  LEU   9          HD21      LEU   9  -6.622  20.168  -3.969
   86   2HD2  LEU   9          HD22      LEU   9  -7.928  19.040  -4.378
   87   3HD2  LEU   9          HD23      LEU   9  -6.490  19.152  -5.406
   88    H    CYS  10           H        CYS  10 -11.799  20.399  -6.136
   89    HA   CYS  10           HA       CYS  10 -12.337  21.415  -8.757
   90   1HB   CYS  10          HB2       CYS  10 -13.264  18.908  -8.666
   91   2HB   CYS  10          HB3       CYS  10 -14.613  19.666  -7.801
   92    HG   CYS  10           HG       CYS  10 -13.201  20.473 -10.704
   93    H    THR  11           H        THR  11 -14.691  22.625  -8.627
   94    HA   THR  11           HA       THR  11 -14.400  24.366  -6.381
   95    HB   THR  11           HB       THR  11 -16.550  25.357  -7.387
   96    HG1  THR  11           HG1      THR  11 -16.986  24.692  -9.459
   97   1HG2  THR  11          HG21      THR  11 -14.117  26.076  -7.729
   98   2HG2  THR  11          HG22      THR  11 -14.132  25.111  -9.220
   99   3HG2  THR  11          HG23      THR  11 -15.244  26.479  -9.039
  100    H    GLY  12           H        GLY  12 -15.967  21.389  -6.593
  101   1HA   GLY  12          HA1       GLY  12 -16.759  21.621  -3.847
  102   2HA   GLY  12          HA2       GLY  12 -18.141  21.321  -4.941
  103    H    ASN  13           H        ASN  13 -15.786  19.837  -3.146
  104    HA   ASN  13           HA       ASN  13 -14.608  17.830  -4.716
  105   1HB   ASN  13          HB2       ASN  13 -13.976  18.274  -2.359
  106   2HB   ASN  13          HB3       ASN  13 -15.580  17.821  -1.818
  107   1HD2  ASN  13          HD22      ASN  13 -12.797  16.396  -3.635
  108   2HD2  ASN  13          HD21      ASN  13 -13.097  14.752  -3.052
  109    H    SER  14           H        SER  14 -17.721  17.973  -3.147
  110    HA   SER  14           HA       SER  14 -18.629  15.594  -2.689
  111   1HB   SER  14          HB2       SER  14 -20.404  17.598  -4.088
  112   2HB   SER  14          HB3       SER  14 -20.751  16.640  -2.639
  113    HG   SER  14           HG       SER  14 -20.105  19.074  -2.645
  114    H    CYS  15           H        CYS  15 -18.472  16.804  -6.038
  115    HA   CYS  15           HA       CYS  15 -19.898  14.334  -6.934
  116   1HB   CYS  15          HB2       CYS  15 -19.894  16.996  -8.401
  117   2HB   CYS  15          HB3       CYS  15 -20.920  15.586  -8.678
  118    HG   CYS  15           HG       CYS  15 -22.079  17.783  -7.695
  119    H    ARG  16           H        ARG  16 -17.907  16.870  -8.530
  120    HA   ARG  16           HA       ARG  16 -17.045  15.078 -10.554
  121   1HB   ARG  16          HB2       ARG  16 -16.099  17.832  -9.648
  122   2HB   ARG  16          HB3       ARG  16 -15.344  17.008 -11.011
  123   1HG   ARG  16          HG2       ARG  16 -17.274  17.020 -12.326
  124   2HG   ARG  16          HG3       ARG  16 -18.363  17.268 -10.963
  125   1HD   ARG  16          HD2       ARG  16 -16.363  19.362 -11.870
  126   2HD   ARG  16          HD3       ARG  16 -18.017  19.262 -12.481
  127    HE   ARG  16           HE       ARG  16 -18.492  19.295  -9.811
  128   1HH1  ARG  16          HH11      ARG  16 -16.839  21.567 -11.987
  129   2HH1  ARG  16          HH12      ARG  16 -16.790  22.828 -10.771
  130   1HH2  ARG  16          HH21      ARG  16 -18.601  20.948  -8.390
  131   2HH2  ARG  16          HH22      ARG  16 -17.801  22.488  -8.704
  132    H    SER  17           H        SER  17 -15.213  16.250  -7.645
  133    HA   SER  17           HA       SER  17 -12.881  14.829  -8.417
  134   1HB   SER  17          HB2       SER  17 -13.505  15.581  -5.587
  135   2HB   SER  17          HB3       SER  17 -11.963  15.659  -6.477
  136    HG   SER  17           HG       SER  17 -12.772  17.716  -6.165
  137    H    GLN  18           H        GLN  18 -15.640  13.957  -6.295
  138    HA   GLN  18           HA       GLN  18 -14.541  11.506  -5.321
  139   1HB   GLN  18          HB2       GLN  18 -17.409  12.463  -5.811
  140   2HB   GLN  18          HB3       GLN  18 -17.042  10.924  -5.053
  141   1HG   GLN  18          HG2       GLN  18 -16.161  13.627  -3.975
  142   2HG   GLN  18          HG3       GLN  18 -17.561  12.730  -3.413
  143   1HE2  GLN  18          HE22      GLN  18 -15.259  13.571  -1.835
  144   2HE2  GLN  18          HE21      GLN  18 -14.507  12.119  -1.208
  145    H    MET  19           H        MET  19 -16.530  12.178  -8.291
  146    HA   MET  19           HA       MET  19 -16.546   9.404  -9.091
  147   1HB   MET  19          HB2       MET  19 -16.939  11.939 -10.743
  148   2HB   MET  19          HB3       MET  19 -17.167  10.288 -11.336
  149   1HG   MET  19          HG2       MET  19 -18.807   9.974  -9.376
  150   2HG   MET  19          HG3       MET  19 -18.781  11.723  -9.219
  151   1HE   MET  19          HE1       MET  19 -18.494  12.383 -12.560
  152   2HE   MET  19          HE2       MET  19 -20.205  12.774 -12.813
  153   3HE   MET  19          HE3       MET  19 -19.370  13.351 -11.348
  154    H    ALA  20           H        ALA  20 -14.383  12.179 -10.012
  155    HA   ALA  20           HA       ALA  20 -12.765  10.781 -11.831
  156   1HB   ALA  20          HB1       ALA  20 -12.675  13.231 -11.435
  157   2HB   ALA  20          HB2       ALA  20 -11.909  12.936  -9.856
  158   3HB   ALA  20          HB3       ALA  20 -11.073  12.476 -11.351
  159    H    GLU  21           H        GLU  21 -12.424  11.040  -8.256
  160    HA   GLU  21           HA       GLU  21 -10.091   9.513  -7.941
  161   1HB   GLU  21          HB2       GLU  21 -11.079  10.903  -6.194
  162   2HB   GLU  21          HB3       GLU  21 -12.520   9.878  -6.128
  163   1HG   GLU  21          HG2       GLU  21 -11.108   7.979  -5.426
  164   2HG   GLU  21          HG3       GLU  21  -9.695   9.035  -5.400
  165    H    GLY  22           H        GLY  22 -13.549   8.435  -7.979
  166   1HA   GLY  22          HA1       GLY  22 -13.165   5.681  -7.703
  167   2HA   GLY  22          HA2       GLY  22 -14.480   6.461  -8.593
  168    H    TRP  23           H        TRP  23 -13.272   7.564 -10.874
  169    HA   TRP  23           HA       TRP  23 -12.799   5.133 -12.381
  170   1HB   TRP  23          HB2       TRP  23 -12.445   8.049 -13.105
  171   2HB   TRP  23          HB3       TRP  23 -12.151   6.736 -14.230
  172    HD1  TRP  23           HD1      TRP  23 -14.878   8.721 -12.624
  173    HE1  TRP  23           HE1      TRP  23 -17.050   8.436 -13.884
  174    HE3  TRP  23           HE3      TRP  23 -13.591   4.691 -15.518
  175    HZ2  TRP  23           HZ2      TRP  23 -18.137   6.674 -15.892
  176    HZ3  TRP  23           HZ3      TRP  23 -15.228   3.769 -17.135
  177    HH2  TRP  23           HH2      TRP  23 -17.519   4.785 -17.321
  178    H    ALA  24           H        ALA  24 -10.564   7.631 -11.028
  179    HA   ALA  24           HA       ALA  24  -8.332   6.750 -12.514
  180   1HB   ALA  24          HB1       ALA  24  -8.441   8.925 -11.325
  181   2HB   ALA  24          HB2       ALA  24  -8.372   8.079  -9.772
  182   3HB   ALA  24          HB3       ALA  24  -6.982   8.018 -10.884
  183    H    LYS  25           H        LYS  25  -9.631   5.521  -9.431
  184    HA   LYS  25           HA       LYS  25  -7.425   3.818  -8.833
  185   1HB   LYS  25          HB2       LYS  25 -10.400   3.624  -8.214
  186   2HB   LYS  25          HB3       LYS  25  -9.217   2.488  -7.554
  187   1HG   LYS  25          HG2       LYS  25  -8.085   4.170  -6.309
  188   2HG   LYS  25          HG3       LYS  25  -8.868   5.485  -7.191
  189   1HD   LYS  25          HD2       LYS  25 -11.063   4.842  -6.250
  190   2HD   LYS  25          HD3       LYS  25 -10.271   3.564  -5.289
  191   1HE   LYS  25          HE2       LYS  25  -8.888   5.273  -4.141
  192   2HE   LYS  25          HE3       LYS  25  -9.571   6.530  -5.181
  193   1HZ   LYS  25          HZ1       LYS  25 -10.985   5.022  -3.076
  194   2HZ   LYS  25          HZ2       LYS  25 -10.760   6.663  -3.199
  195   3HZ   LYS  25          HZ3       LYS  25 -11.776   5.920  -4.219
  196    H    GLN  26           H        GLN  26  -9.871   3.491 -11.336
  197    HA   GLN  26           HA       GLN  26  -9.362   0.608 -11.729
  198   1HB   GLN  26          HB2       GLN  26 -11.153   2.699 -13.000
  199   2HB   GLN  26          HB3       GLN  26 -10.770   1.250 -13.888
  200   1HG   GLN  26          HG2       GLN  26 -12.941   1.364 -12.472
  201   2HG   GLN  26          HG3       GLN  26 -12.004  -0.122 -12.547
  202   1HE2  GLN  26          HE22      GLN  26 -12.195   2.890 -10.419
  203   2HE2  GLN  26          HE21      GLN  26 -12.045   1.966  -8.961
  204    H    TYR  27           H        TYR  27  -8.736   3.712 -13.397
  205    HA   TYR  27           HA       TYR  27  -7.266   2.453 -15.532
  206   1HB   TYR  27          HB2       TYR  27  -7.590   5.334 -14.634
  207   2HB   TYR  27          HB3       TYR  27  -6.659   4.875 -16.061
  208    HD1  TYR  27           HD1      TYR  27  -9.823   5.981 -15.053
  209    HD2  TYR  27           HD2      TYR  27  -7.956   3.119 -17.689
  210    HE1  TYR  27           HE1      TYR  27 -11.869   5.914 -16.442
  211    HE2  TYR  27           HE2      TYR  27 -10.016   3.014 -19.048
  212    HH   TYR  27           HH       TYR  27 -12.190   3.825 -19.337
  213    H    LEU  28           H        LEU  28  -6.262   3.878 -12.441
  214    HA   LEU  28           HA       LEU  28  -3.394   3.570 -13.138
  215   1HB   LEU  28          HB2       LEU  28  -4.663   4.794 -10.663
  216   2HB   LEU  28          HB3       LEU  28  -2.975   4.880 -11.153
  217    HG   LEU  28           HG       LEU  28  -5.311   6.173 -12.627
  218   1HD1  LEU  28          HD11      LEU  28  -3.053   7.456 -11.054
  219   2HD1  LEU  28          HD12      LEU  28  -4.410   8.275 -11.860
  220   3HD1  LEU  28          HD13      LEU  28  -4.714   7.229 -10.465
  221   1HD2  LEU  28          HD21      LEU  28  -3.547   5.516 -14.229
  222   2HD2  LEU  28          HD22      LEU  28  -3.641   7.256 -14.038
  223   3HD2  LEU  28          HD23      LEU  28  -2.334   6.357 -13.238
  224    H    GLY  29           H        GLY  29  -3.079   3.158 -10.020
  225   1HA   GLY  29          HA1       GLY  29  -3.952   0.533  -9.434
  226   2HA   GLY  29          HA2       GLY  29  -2.365   0.446 -10.222
  227    H    ASP  30           H        ASP  30  -2.148  -0.468  -7.834
  228    HA   ASP  30           HA       ASP  30  -2.276   1.293  -5.651
  229   1HB   ASP  30          HB2       ASP  30  -2.376  -1.225  -5.625
  230   2HB   ASP  30          HB3       ASP  30  -0.619  -1.246  -5.838
  231    H    GLU  31           H        GLU  31   0.169   1.072  -8.009
  232    HA   GLU  31           HA       GLU  31   2.467   2.103  -6.661
  233   1HB   GLU  31          HB2       GLU  31   2.263   1.009  -8.957
  234   2HB   GLU  31          HB3       GLU  31   1.529   2.509  -9.547
  235   1HG   GLU  31          HG2       GLU  31   3.564   3.737  -9.168
  236   2HG   GLU  31          HG3       GLU  31   4.291   2.382  -8.285
  237    H    TRP  32           H        TRP  32  -0.597   3.485  -7.144
  238    HA   TRP  32           HA       TRP  32   0.413   6.213  -6.558
  239   1HB   TRP  32          HB2       TRP  32  -2.174   5.496  -7.989
  240   2HB   TRP  32          HB3       TRP  32  -1.544   7.098  -7.689
  241    HD1  TRP  32           HD1      TRP  32  -0.557   3.977  -9.765
  242    HE1  TRP  32           HE1      TRP  32   0.147   4.760 -12.106
  243    HE3  TRP  32           HE3      TRP  32  -0.775   9.055  -9.063
  244    HZ2  TRP  32           HZ2      TRP  32   0.439   7.196 -13.525
  245    HZ3  TRP  32           HZ3      TRP  32  -0.336  10.582 -10.961
  246    HH2  TRP  32           HH2      TRP  32   0.226   9.640 -13.221
  247    H    LYS  33           H        LYS  33  -1.052   7.358  -5.135
  248    HA   LYS  33           HA       LYS  33  -3.231   5.786  -3.851
  249   1HB   LYS  33          HB2       LYS  33  -1.312   7.813  -2.645
  250   2HB   LYS  33          HB3       LYS  33  -2.845   7.396  -1.886
  251   1HG   LYS  33          HG2       LYS  33  -0.669   5.360  -2.514
  252   2HG   LYS  33          HG3       LYS  33  -0.835   6.229  -0.992
  253   1HD   LYS  33          HD2       LYS  33  -1.855   4.232  -0.477
  254   2HD   LYS  33          HD3       LYS  33  -3.218   5.263  -0.839
  255   1HE   LYS  33          HE2       LYS  33  -3.538   3.027  -1.726
  256   2HE   LYS  33          HE3       LYS  33  -3.460   4.156  -3.077
  257   1HZ   LYS  33          HZ1       LYS  33  -1.443   3.309  -3.729
  258   2HZ   LYS  33          HZ2       LYS  33  -1.007   2.751  -2.232
  259   3HZ   LYS  33          HZ3       LYS  33  -2.113   1.953  -3.105
  260    H    VAL  34           H        VAL  34  -5.171   6.809  -3.768
  261    HA   VAL  34           HA       VAL  34  -5.342   9.226  -5.499
  262    HB   VAL  34           HB       VAL  34  -7.315   6.923  -5.485
  263   1HG1  VAL  34          HG11      VAL  34  -7.817   9.221  -6.562
  264   2HG1  VAL  34          HG12      VAL  34  -6.614   8.771  -7.783
  265   3HG1  VAL  34          HG13      VAL  34  -8.066   7.777  -7.547
  266   1HG2  VAL  34          HG21      VAL  34  -6.229   6.002  -7.535
  267   2HG2  VAL  34          HG22      VAL  34  -4.829   7.049  -7.234
  268   3HG2  VAL  34          HG23      VAL  34  -5.261   5.767  -6.074
  269    H    TYR  35           H        TYR  35  -6.182  10.856  -4.363
  270    HA   TYR  35           HA       TYR  35  -8.570  10.323  -2.716
  271   1HB   TYR  35          HB2       TYR  35  -7.017  12.504  -1.557
  272   2HB   TYR  35          HB3       TYR  35  -7.856  11.188  -0.789
  273    HD1  TYR  35           HD1      TYR  35  -4.689  12.649  -1.549
  274    HD2  TYR  35           HD2      TYR  35  -6.594   8.889  -0.626
  275    HE1  TYR  35           HE1      TYR  35  -2.541  11.781  -0.735
  276    HE2  TYR  35           HE2      TYR  35  -4.422   7.984   0.162
  277    HH   TYR  35           HH       TYR  35  -1.413   9.947   0.201
  278    H    SER  36           H        SER  36  -9.632  12.550  -2.229
  279    HA   SER  36           HA       SER  36  -9.108  14.519  -4.357
  280   1HB   SER  36          HB2       SER  36 -11.501  14.577  -4.859
  281   2HB   SER  36          HB3       SER  36 -10.799  13.012  -5.284
  282    HG   SER  36           HG       SER  36 -11.755  12.089  -3.565
  283    H    ALA  37           H        ALA  37  -9.954  16.572  -3.914
  284    HA   ALA  37           HA       ALA  37 -11.389  17.046  -1.401
  285   1HB   ALA  37          HB1       ALA  37  -9.926  18.800  -0.747
  286   2HB   ALA  37          HB2       ALA  37  -8.965  17.336  -0.911
  287   3HB   ALA  37          HB3       ALA  37  -8.888  18.592  -2.186
  288    H    GLY  38           H        GLY  38 -11.385  19.853  -1.680
  289   1HA   GLY  38          HA1       GLY  38 -11.814  20.748  -4.350
  290   2HA   GLY  38          HA2       GLY  38 -13.357  20.443  -3.536
  291    H    ILE  39           H        ILE  39 -12.983  22.947  -4.226
  292    HA   ILE  39           HA       ILE  39 -11.810  24.742  -2.325
  293    HB   ILE  39           HB       ILE  39 -14.098  24.850  -4.300
  294   1HG1  ILE  39          HG12      ILE  39 -12.781  26.672  -5.312
  295   2HG1  ILE  39          HG13      ILE  39 -11.581  26.537  -4.028
  296   1HG2  ILE  39          HG21      ILE  39 -15.022  26.204  -2.538
  297   2HG2  ILE  39          HG22      ILE  39 -13.488  27.102  -2.362
  298   3HG2  ILE  39          HG23      ILE  39 -14.470  27.251  -3.837
  299   1HD1  ILE  39          HD11      ILE  39 -10.916  24.313  -4.862
  300   2HD1  ILE  39          HD12      ILE  39 -12.217  24.370  -6.079
  301   3HD1  ILE  39          HD13      ILE  39 -10.876  25.505  -6.164
  302    H    GLU  40           H        GLU  40 -14.936  23.027  -2.476
  303    HA   GLU  40           HA       GLU  40 -14.974  23.028   0.466
  304   1HB   GLU  40          HB2       GLU  40 -17.306  23.625   0.632
  305   2HB   GLU  40          HB3       GLU  40 -16.387  24.928  -0.111
  306   1HG   GLU  40          HG2       GLU  40 -17.198  24.255  -2.356
  307   2HG   GLU  40          HG3       GLU  40 -18.102  22.907  -1.654
  308    H    ALA  41           H        ALA  41 -16.907  21.503   1.147
  309    HA   ALA  41           HA       ALA  41 -17.355  19.216  -0.678
  310   1HB   ALA  41          HB1       ALA  41 -15.302  18.605   0.465
  311   2HB   ALA  41          HB2       ALA  41 -15.985  19.053   2.047
  312   3HB   ALA  41          HB3       ALA  41 -16.649  17.677   1.157
  313    H    HIS  42           H        HIS  42 -19.519  19.124  -0.631
  314    HA   HIS  42           HA       HIS  42 -21.124  20.002   1.657
  315   1HB   HIS  42          HB2       HIS  42 -21.883  20.266  -0.700
  316   2HB   HIS  42          HB3       HIS  42 -21.879  18.510  -0.896
  317    HD1  HIS  42           HD1      HIS  42 -24.125  17.308  -0.214
  318    HD2  HIS  42           HD2      HIS  42 -23.694  21.238   1.241
  319    HE1  HIS  42           HE1      HIS  42 -26.339  17.910   0.882
  320    H    GLY  43           H        GLY  43 -19.913  16.934   0.215
  321   1HA   GLY  43          HA1       GLY  43 -19.821  15.268   2.364
  322   2HA   GLY  43          HA2       GLY  43 -21.542  15.246   1.916
  323    H    LEU  44           H        LEU  44 -20.560  12.872   1.536
  324    HA   LEU  44           HA       LEU  44 -19.429  12.506  -1.155
  325   1HB   LEU  44          HB2       LEU  44 -18.975  10.875   0.677
  326   2HB   LEU  44          HB3       LEU  44 -20.707  10.574   0.836
  327    HG   LEU  44           HG       LEU  44 -20.706   9.791  -1.577
  328   1HD1  LEU  44          HD11      LEU  44 -18.622  10.781  -2.386
  329   2HD1  LEU  44          HD12      LEU  44 -17.688   9.840  -1.200
  330   3HD1  LEU  44          HD13      LEU  44 -18.546   9.023  -2.523
  331   1HD2  LEU  44          HD21      LEU  44 -20.820   8.187   0.214
  332   2HD2  LEU  44          HD22      LEU  44 -19.665   7.570  -0.983
  333   3HD2  LEU  44          HD23      LEU  44 -19.081   8.311   0.516
  334    H    ASN  45           H        ASN  45 -20.830  13.409  -2.698
  335    HA   ASN  45           HA       ASN  45 -23.596  13.725  -2.271
  336   1HB   ASN  45          HB2       ASN  45 -22.183  15.008  -3.888
  337   2HB   ASN  45          HB3       ASN  45 -22.212  13.621  -4.981
  338   1HD2  ASN  45          HD22      ASN  45 -23.372  16.446  -5.214
  339   2HD2  ASN  45          HD21      ASN  45 -25.077  16.201  -5.515
  340    HA   PRO  46           HA       PRO  46 -24.954   9.448  -3.003
  341   1HB   PRO  46          HB2       PRO  46 -27.531  10.895  -3.645
  342   2HB   PRO  46          HB3       PRO  46 -27.285   9.406  -2.679
  343   1HG   PRO  46          HG2       PRO  46 -27.672  11.785  -1.440
  344   2HG   PRO  46          HG3       PRO  46 -26.408  10.661  -0.840
  345   1HD   PRO  46          HD2       PRO  46 -26.067  13.098  -2.601
  346   2HD   PRO  46          HD3       PRO  46 -25.089  12.566  -1.198
  347    H    ASN  47           H        ASN  47 -25.560  12.142  -5.324
  348    HA   ASN  47           HA       ASN  47 -26.166  10.448  -7.549
  349   1HB   ASN  47          HB2       ASN  47 -26.427  12.343  -8.661
  350   2HB   ASN  47          HB3       ASN  47 -26.098  13.229  -7.196
  351   1HD2  ASN  47          HD22      ASN  47 -25.158  12.768 -10.462
  352   2HD2  ASN  47          HD21      ASN  47 -23.580  13.507 -10.375
  353    H    ALA  48           H        ALA  48 -23.055  11.536  -6.149
  354    HA   ALA  48           HA       ALA  48 -21.497  10.558  -8.373
  355   1HB   ALA  48          HB1       ALA  48 -20.643  11.124  -5.492
  356   2HB   ALA  48          HB2       ALA  48 -19.578  10.925  -6.896
  357   3HB   ALA  48          HB3       ALA  48 -20.680  12.311  -6.813
  358    H    VAL  49           H        VAL  49 -22.567   9.266  -5.192
  359    HA   VAL  49           HA       VAL  49 -21.094   6.836  -5.365
  360    HB   VAL  49           HB       VAL  49 -23.734   7.209  -3.910
  361   1HG1  VAL  49          HG11      VAL  49 -22.771   5.382  -2.486
  362   2HG1  VAL  49          HG12      VAL  49 -23.046   4.852  -4.148
  363   3HG1  VAL  49          HG13      VAL  49 -21.402   5.248  -3.617
  364   1HG2  VAL  49          HG21      VAL  49 -22.260   7.645  -1.929
  365   2HG2  VAL  49          HG22      VAL  49 -20.866   7.741  -3.035
  366   3HG2  VAL  49          HG23      VAL  49 -22.184   8.923  -3.135
  367    H    LYS  50           H        LYS  50 -24.566   7.542  -6.265
  368    HA   LYS  50           HA       LYS  50 -24.945   4.905  -7.242
  369   1HB   LYS  50          HB2       LYS  50 -26.787   6.517  -6.643
  370   2HB   LYS  50          HB3       LYS  50 -26.443   7.410  -8.137
  371   1HG   LYS  50          HG2       LYS  50 -26.923   5.323  -9.455
  372   2HG   LYS  50          HG3       LYS  50 -27.275   4.471  -7.942
  373   1HD   LYS  50          HD2       LYS  50 -29.145   6.045  -7.508
  374   2HD   LYS  50          HD3       LYS  50 -28.773   6.890  -9.030
  375   1HE   LYS  50          HE2       LYS  50 -29.192   4.801 -10.299
  376   2HE   LYS  50          HE3       LYS  50 -29.549   3.948  -8.792
  377   1HZ   LYS  50          HZ1       LYS  50 -31.444   5.433  -8.478
  378   2HZ   LYS  50          HZ2       LYS  50 -31.117   6.220  -9.875
  379   3HZ   LYS  50          HZ3       LYS  50 -31.567   4.655  -9.902
  380    H    ALA  51           H        ALA  51 -23.909   7.898  -8.938
  381    HA   ALA  51           HA       ALA  51 -23.961   6.902 -11.532
  382   1HB   ALA  51          HB1       ALA  51 -22.106   8.599 -11.952
  383   2HB   ALA  51          HB2       ALA  51 -23.526   9.255 -11.124
  384   3HB   ALA  51          HB3       ALA  51 -22.036   8.875 -10.216
  385    H    MET  52           H        MET  52 -21.233   6.710  -9.151
  386    HA   MET  52           HA       MET  52 -19.611   5.219 -11.038
  387   1HB   MET  52          HB2       MET  52 -19.355   5.722  -8.058
  388   2HB   MET  52          HB3       MET  52 -18.122   4.953  -9.058
  389   1HG   MET  52          HG2       MET  52 -19.139   7.797  -9.280
  390   2HG   MET  52          HG3       MET  52 -17.542   7.273  -8.763
  391   1HE   MET  52          HE1       MET  52 -16.953   4.976 -10.925
  392   2HE   MET  52          HE2       MET  52 -16.054   5.848 -12.151
  393   3HE   MET  52          HE3       MET  52 -15.724   6.163 -10.436
  394    H    LYS  53           H        LYS  53 -21.773   4.325  -8.322
  395    HA   LYS  53           HA       LYS  53 -20.972   1.628  -8.149
  396   1HB   LYS  53          HB2       LYS  53 -22.468   3.061  -6.587
  397   2HB   LYS  53          HB3       LYS  53 -23.812   2.581  -7.636
  398   1HG   LYS  53          HG2       LYS  53 -23.182   0.162  -7.078
  399   2HG   LYS  53          HG3       LYS  53 -21.956   0.816  -5.969
  400   1HD   LYS  53          HD2       LYS  53 -23.923   2.159  -4.887
  401   2HD   LYS  53          HD3       LYS  53 -24.980   1.123  -5.844
  402   1HE   LYS  53          HE2       LYS  53 -24.945  -0.041  -3.862
  403   2HE   LYS  53          HE3       LYS  53 -23.650  -0.859  -4.737
  404   1HZ   LYS  53          HZ1       LYS  53 -23.299   1.275  -2.696
  405   2HZ   LYS  53          HZ2       LYS  53 -22.994  -0.310  -2.480
  406   3HZ   LYS  53          HZ3       LYS  53 -22.058   0.574  -3.486
  407    H    GLU  54           H        GLU  54 -23.340   3.223 -10.281
  408    HA   GLU  54           HA       GLU  54 -24.237   0.841 -11.560
  409   1HB   GLU  54          HB2       GLU  54 -24.323   3.794 -12.270
  410   2HB   GLU  54          HB3       GLU  54 -24.951   2.579 -13.381
  411   1HG   GLU  54          HG2       GLU  54 -25.865   2.901 -10.492
  412   2HG   GLU  54          HG3       GLU  54 -26.674   3.600 -11.888
  413    H    VAL  55           H        VAL  55 -21.280   2.702 -12.023
  414    HA   VAL  55           HA       VAL  55 -20.624   1.385 -14.566
  415    HB   VAL  55           HB       VAL  55 -18.793   2.881 -12.627
  416   1HG1  VAL  55          HG11      VAL  55 -17.332   3.191 -14.600
  417   2HG1  VAL  55          HG12      VAL  55 -17.473   1.499 -14.148
  418   3HG1  VAL  55          HG13      VAL  55 -18.383   2.116 -15.546
  419   1HG2  VAL  55          HG21      VAL  55 -19.021   4.796 -14.149
  420   2HG2  VAL  55          HG22      VAL  55 -20.161   3.885 -15.171
  421   3HG2  VAL  55          HG23      VAL  55 -20.603   4.353 -13.523
  422    H    GLY  56           H        GLY  56 -20.541   0.595 -11.168
  423   1HA   GLY  56          HA1       GLY  56 -20.130  -1.597 -10.355
  424   2HA   GLY  56          HA2       GLY  56 -18.989  -1.902 -11.673
  425    H    ILE  57           H        ILE  57 -18.971   1.194  -9.942
  426    HA   ILE  57           HA       ILE  57 -16.369   0.517  -8.650
  427    HB   ILE  57           HB       ILE  57 -17.229   3.027 -10.115
  428   1HG1  ILE  57          HG12      ILE  57 -15.028   1.031 -10.815
  429   2HG1  ILE  57          HG13      ILE  57 -16.602   1.099 -11.606
  430   1HG2  ILE  57          HG21      ILE  57 -14.581   2.394  -8.720
  431   2HG2  ILE  57          HG22      ILE  57 -14.965   3.890  -9.597
  432   3HG2  ILE  57          HG23      ILE  57 -15.810   3.511  -8.110
  433   1HD1  ILE  57          HD11      ILE  57 -15.031   2.214 -13.009
  434   2HD1  ILE  57          HD12      ILE  57 -16.156   3.407 -12.357
  435   3HD1  ILE  57          HD13      ILE  57 -14.503   3.283 -11.695
  436    H    ASP  58           H        ASP  58 -17.186   0.147  -6.671
  437    HA   ASP  58           HA       ASP  58 -19.463   1.620  -5.628
  438   1HB   ASP  58          HB2       ASP  58 -19.250  -0.755  -5.204
  439   2HB   ASP  58          HB3       ASP  58 -17.695  -0.519  -4.393
  440    H    ILE  59           H        ILE  59 -18.522   3.816  -5.674
  441    HA   ILE  59           HA       ILE  59 -16.280   4.361  -3.951
  442    HB   ILE  59           HB       ILE  59 -16.480   6.634  -4.493
  443   1HG1  ILE  59          HG12      ILE  59 -19.100   6.223  -5.942
  444   2HG1  ILE  59          HG13      ILE  59 -19.012   6.793  -4.280
  445   1HG2  ILE  59          HG21      ILE  59 -17.124   5.078  -6.999
  446   2HG2  ILE  59          HG22      ILE  59 -16.223   6.604  -6.880
  447   3HG2  ILE  59          HG23      ILE  59 -15.540   5.126  -6.193
  448   1HD1  ILE  59          HD11      ILE  59 -19.195   8.740  -5.599
  449   2HD1  ILE  59          HD12      ILE  59 -17.531   8.677  -5.016
  450   3HD1  ILE  59          HD13      ILE  59 -17.894   8.236  -6.699
  451    H    SER  60           H        SER  60 -19.231   3.404  -2.920
  452    HA   SER  60           HA       SER  60 -20.160   5.331  -1.163
  453   1HB   SER  60          HB2       SER  60 -20.057   2.347  -0.562
  454   2HB   SER  60          HB3       SER  60 -21.253   3.526  -0.001
  455    HG   SER  60           HG       SER  60 -20.950   2.247  -2.473
  456    H    ASN  61           H        ASN  61 -17.278   3.334  -0.878
  457    HA   ASN  61           HA       ASN  61 -16.831   3.695   1.940
  458   1HB   ASN  61          HB2       ASN  61 -15.986   1.749   0.669
  459   2HB   ASN  61          HB3       ASN  61 -14.986   2.817  -0.324
  460   1HD2  ASN  61          HD22      ASN  61 -15.526   1.858   3.139
  461   2HD2  ASN  61          HD21      ASN  61 -13.860   2.056   3.602
  462    H    GLN  62           H        GLN  62 -16.277   5.799  -0.805
  463    HA   GLN  62           HA       GLN  62 -13.927   7.122   0.217
  464   1HB   GLN  62          HB2       GLN  62 -15.923   8.028  -1.905
  465   2HB   GLN  62          HB3       GLN  62 -14.350   8.760  -1.545
  466   1HG   GLN  62          HG2       GLN  62 -13.240   6.604  -2.121
  467   2HG   GLN  62          HG3       GLN  62 -14.801   5.950  -2.612
  468   1HE2  GLN  62          HE22      GLN  62 -14.911   9.186  -3.701
  469   2HE2  GLN  62          HE21      GLN  62 -14.383   8.845  -5.335
  470    H    THR  63           H        THR  63 -14.121   9.565   0.644
  471    HA   THR  63           HA       THR  63 -16.585  10.473   1.874
  472    HB   THR  63           HB       THR  63 -15.123  11.249   3.909
  473    HG1  THR  63           HG1      THR  63 -13.121  10.491   3.180
  474   1HG2  THR  63          HG21      THR  63 -15.827   8.290   3.764
  475   2HG2  THR  63          HG22      THR  63 -15.705   9.310   5.212
  476   3HG2  THR  63          HG23      THR  63 -17.000   9.596   4.038
  477    H    SER  64           H        SER  64 -16.468  12.855   2.283
  478    HA   SER  64           HA       SER  64 -14.751  14.095   0.227
  479   1HB   SER  64          HB2       SER  64 -17.432  14.906   1.424
  480   2HB   SER  64          HB3       SER  64 -16.587  15.745   0.116
  481    HG   SER  64           HG       SER  64 -18.169  14.308  -0.667
  482    H    ASP  65           H        ASP  65 -13.744  16.069   0.612
  483    HA   ASP  65           HA       ASP  65 -13.724  17.295   3.259
  484   1HB   ASP  65          HB2       ASP  65 -12.094  15.323   3.379
  485   2HB   ASP  65          HB3       ASP  65 -11.173  16.110   2.088
  486    H    ILE  66           H        ILE  66 -12.366  19.308   3.167
  487    HA   ILE  66           HA       ILE  66 -12.354  20.442   0.437
  488    HB   ILE  66           HB       ILE  66 -12.502  22.537   1.379
  489   1HG1  ILE  66          HG12      ILE  66 -11.698  21.371   4.066
  490   2HG1  ILE  66          HG13      ILE  66 -10.788  22.517   3.055
  491   1HG2  ILE  66          HG21      ILE  66 -14.520  20.980   1.642
  492   2HG2  ILE  66          HG22      ILE  66 -14.154  20.923   3.367
  493   3HG2  ILE  66          HG23      ILE  66 -14.558  22.470   2.602
  494   1HD1  ILE  66          HD11      ILE  66 -13.354  23.024   4.581
  495   2HD1  ILE  66          HD12      ILE  66 -11.772  23.791   4.814
  496   3HD1  ILE  66          HD13      ILE  66 -12.724  24.139   3.344
  497    H    ILE  67           H        ILE  67 -10.402  21.780  -0.087
  498    HA   ILE  67           HA       ILE  67  -8.269  20.051  -0.213
  499    HB   ILE  67           HB       ILE  67  -8.744  21.678  -1.840
  500   1HG1  ILE  67          HG12      ILE  67  -6.399  20.745  -1.509
  501   2HG1  ILE  67          HG13      ILE  67  -6.645  22.076  -2.621
  502   1HG2  ILE  67          HG21      ILE  67  -9.511  23.602  -0.634
  503   2HG2  ILE  67          HG22      ILE  67  -7.897  23.863   0.085
  504   3HG2  ILE  67          HG23      ILE  67  -8.145  24.061  -1.655
  505   1HD1  ILE  67          HD11      ILE  67  -4.578  22.298  -1.270
  506   2HD1  ILE  67          HD12      ILE  67  -5.672  23.685  -1.135
  507   3HD1  ILE  67          HD13      ILE  67  -5.561  22.509   0.184
  508    H    ASP  68           H        ASP  68  -6.547  19.524   0.816
  509    HA   ASP  68           HA       ASP  68  -5.715  21.028   3.251
  510   1HB   ASP  68          HB2       ASP  68  -6.465  18.758   3.762
  511   2HB   ASP  68          HB3       ASP  68  -5.380  18.088   2.534
  512    H    SER  69           H        SER  69  -4.029  22.291   2.770
  513    HA   SER  69           HA       SER  69  -2.662  22.117   0.351
  514   1HB   SER  69          HB2       SER  69  -1.648  23.647   2.749
  515   2HB   SER  69          HB3       SER  69  -1.593  24.089   1.025
  516    HG   SER  69           HG       SER  69  -3.216  25.217   2.236
  517    H    ASP  70           H        ASP  70  -1.989  20.279   3.253
  518    HA   ASP  70           HA       ASP  70   0.874  20.121   2.729
  519   1HB   ASP  70          HB2       ASP  70   0.178  20.063   5.048
  520   2HB   ASP  70          HB3       ASP  70  -0.860  18.670   4.746
  521    H    ILE  71           H        ILE  71  -2.075  18.107   2.319
  522    HA   ILE  71           HA       ILE  71  -0.634  15.889   1.135
  523    HB   ILE  71           HB       ILE  71  -3.546  16.745   0.845
  524   1HG1  ILE  71          HG12      ILE  71  -2.145  14.472   2.335
  525   2HG1  ILE  71          HG13      ILE  71  -2.786  15.937   3.089
  526   1HG2  ILE  71          HG21      ILE  71  -2.857  15.495  -1.193
  527   2HG2  ILE  71          HG22      ILE  71  -2.132  14.232  -0.178
  528   3HG2  ILE  71          HG23      ILE  71  -3.898  14.501  -0.206
  529   1HD1  ILE  71          HD11      ILE  71  -5.089  15.262   2.265
  530   2HD1  ILE  71          HD12      ILE  71  -4.378  13.694   1.797
  531   3HD1  ILE  71          HD13      ILE  71  -4.368  14.198   3.491
  532    H    LEU  72           H        LEU  72  -2.226  18.790  -0.224
  533    HA   LEU  72           HA       LEU  72  -1.707  18.455  -2.940
  534   1HB   LEU  72          HB2       LEU  72  -3.042  20.236  -1.903
  535   2HB   LEU  72          HB3       LEU  72  -1.602  20.879  -1.141
  536    HG   LEU  72           HG       LEU  72  -0.825  21.089  -3.749
  537   1HD1  LEU  72          HD11      LEU  72  -2.703  21.882  -5.080
  538   2HD1  LEU  72          HD12      LEU  72  -3.075  20.240  -4.516
  539   3HD1  LEU  72          HD13      LEU  72  -3.835  21.632  -3.733
  540   1HD2  LEU  72          HD21      LEU  72  -0.733  22.864  -2.084
  541   2HD2  LEU  72          HD22      LEU  72  -1.539  23.467  -3.543
  542   3HD2  LEU  72          HD23      LEU  72  -2.493  23.031  -2.094
  543    H    ASN  73           H        ASN  73   0.534  19.944  -0.496
  544    HA   ASN  73           HA       ASN  73   2.649  20.271  -2.396
  545   1HB   ASN  73          HB2       ASN  73   2.430  20.461   0.624
  546   2HB   ASN  73          HB3       ASN  73   4.017  20.420  -0.118
  547   1HD2  ASN  73          HD22      ASN  73   1.061  22.361   0.153
  548   2HD2  ASN  73          HD21      ASN  73   1.762  23.804  -0.557
  549    H    ASN  74           H        ASN  74   1.627  17.385  -0.701
  550    HA   ASN  74           HA       ASN  74   4.316  16.112  -0.899
  551   1HB   ASN  74          HB2       ASN  74   1.633  15.253   0.270
  552   2HB   ASN  74          HB3       ASN  74   2.886  14.084  -0.075
  553   1HD2  ASN  74          HD22      ASN  74   1.878  16.537   2.110
  554   2HD2  ASN  74          HD21      ASN  74   3.149  16.298   3.287
  555    H    ALA  75           H        ALA  75   1.405  16.563  -2.763
  556    HA   ALA  75           HA       ALA  75   1.174  13.976  -3.734
  557   1HB   ALA  75          HB1       ALA  75  -0.636  15.620  -3.762
  558   2HB   ALA  75          HB2       ALA  75   0.217  16.558  -5.009
  559   3HB   ALA  75          HB3       ALA  75  -0.381  14.922  -5.367
  560    H    ASP  76           H        ASP  76   1.492  13.181  -5.985
  561    HA   ASP  76           HA       ASP  76   4.075  14.039  -7.182
  562   1HB   ASP  76          HB2       ASP  76   3.413  11.581  -7.071
  563   2HB   ASP  76          HB3       ASP  76   2.057  11.967  -8.152
  564    H    LEU  77           H        LEU  77   0.562  14.112  -7.582
  565    HA   LEU  77           HA       LEU  77   0.703  16.167  -9.687
  566   1HB   LEU  77          HB2       LEU  77   0.595  14.087 -10.888
  567   2HB   LEU  77          HB3       LEU  77  -0.613  13.446  -9.769
  568    HG   LEU  77           HG       LEU  77  -2.275  15.074 -10.612
  569   1HD1  LEU  77          HD11      LEU  77  -1.938  16.300 -12.674
  570   2HD1  LEU  77          HD12      LEU  77  -0.675  16.814 -11.563
  571   3HD1  LEU  77          HD13      LEU  77  -0.305  15.662 -12.862
  572   1HD2  LEU  77          HD21      LEU  77  -2.626  13.861 -12.734
  573   2HD2  LEU  77          HD22      LEU  77  -0.928  13.324 -12.678
  574   3HD2  LEU  77          HD23      LEU  77  -2.075  12.764 -11.456
  575    H    VAL  78           H        VAL  78  -1.026  17.504  -9.707
  576    HA   VAL  78           HA       VAL  78  -3.344  17.027  -7.899
  577    HB   VAL  78           HB       VAL  78  -1.893  19.641  -8.514
  578   1HG1  VAL  78          HG11      VAL  78  -4.326  20.044  -8.381
  579   2HG1  VAL  78          HG12      VAL  78  -4.399  19.169  -6.832
  580   3HG1  VAL  78          HG13      VAL  78  -3.510  20.703  -6.970
  581   1HG2  VAL  78          HG21      VAL  78  -2.275  18.247  -5.826
  582   2HG2  VAL  78          HG22      VAL  78  -0.785  18.206  -6.774
  583   3HG2  VAL  78          HG23      VAL  78  -1.355  19.745  -6.156
  584    H    VAL  79           H        VAL  79  -5.337  17.385  -8.967
  585    HA   VAL  79           HA       VAL  79  -5.190  18.288 -11.811
  586    HB   VAL  79           HB       VAL  79  -6.849  15.927 -10.840
  587   1HG1  VAL  79          HG11      VAL  79  -7.160  15.537 -13.259
  588   2HG1  VAL  79          HG12      VAL  79  -7.773  17.120 -12.765
  589   3HG1  VAL  79          HG13      VAL  79  -6.207  17.009 -13.605
  590   1HG2  VAL  79          HG21      VAL  79  -4.558  15.171 -10.737
  591   2HG2  VAL  79          HG22      VAL  79  -5.317  14.488 -12.172
  592   3HG2  VAL  79          HG23      VAL  79  -4.212  15.870 -12.341
  593    H    THR  80           H        THR  80  -6.371  20.184 -11.833
  594    HA   THR  80           HA       THR  80  -8.664  20.370  -9.956
  595    HB   THR  80           HB       THR  80  -8.709  22.700 -10.367
  596    HG1  THR  80           HG1      THR  80  -8.083  22.609 -12.575
  597   1HG2  THR  80          HG21      THR  80  -5.753  22.035 -10.105
  598   2HG2  THR  80          HG22      THR  80  -6.671  23.354  -9.344
  599   3HG2  THR  80          HG23      THR  80  -6.909  21.698  -8.805
  600    H    LEU  81           H        LEU  81 -10.440  19.469 -10.733
  601    HA   LEU  81           HA       LEU  81 -10.677  18.787 -13.503
  602   1HB   LEU  81          HB2       LEU  81 -12.619  18.601 -11.181
  603   2HB   LEU  81          HB3       LEU  81 -12.929  17.883 -12.757
  604    HG   LEU  81           HG       LEU  81 -10.455  17.185 -11.112
  605   1HD1  LEU  81          HD11      LEU  81 -11.636  15.255 -10.284
  606   2HD1  LEU  81          HD12      LEU  81 -12.481  16.726  -9.793
  607   3HD1  LEU  81          HD13      LEU  81 -13.125  15.741 -11.132
  608   1HD2  LEU  81          HD21      LEU  81 -11.898  15.716 -13.366
  609   2HD2  LEU  81          HD22      LEU  81 -10.336  16.543 -13.500
  610   3HD2  LEU  81          HD23      LEU  81 -10.486  15.116 -12.473
  611    H    CYS  82           H        CYS  82 -11.200  21.888 -12.256
  612    HA   CYS  82           HA       CYS  82 -12.742  22.511 -14.590
  613   1HB   CYS  82          HB2       CYS  82 -14.538  21.902 -13.004
  614   2HB   CYS  82          HB3       CYS  82 -13.978  23.169 -11.885
  615    HG   CYS  82           HG       CYS  82 -16.200  23.802 -13.293
  616    H    GLY  83           H        GLY  83 -12.580  24.766 -15.099
  617   1HA   GLY  83          HA1       GLY  83  -9.994  25.712 -14.627
  618   2HA   GLY  83          HA2       GLY  83 -11.302  26.615 -15.413
  619    H    ASP  84           H        ASP  84 -13.100  26.750 -13.089
  620    HA   ASP  84           HA       ASP  84 -11.904  29.011 -11.776
  621   1HB   ASP  84          HB2       ASP  84 -14.342  28.750 -12.157
  622   2HB   ASP  84          HB3       ASP  84 -14.376  27.447 -10.968
  623    H    ALA  85           H        ALA  85 -11.886  25.563 -11.053
  624    HA   ALA  85           HA       ALA  85 -11.079  25.929  -8.268
  625   1HB   ALA  85          HB1       ALA  85 -10.732  23.509  -8.261
  626   2HB   ALA  85          HB2       ALA  85 -12.308  23.883  -8.977
  627   3HB   ALA  85          HB3       ALA  85 -10.943  23.432 -10.018
  628    H    ALA  86           H        ALA  86  -9.501  26.040 -11.372
  629    HA   ALA  86           HA       ALA  86  -6.989  24.943 -10.718
  630   1HB   ALA  86          HB1       ALA  86  -6.191  26.094 -12.693
  631   2HB   ALA  86          HB2       ALA  86  -7.807  25.410 -13.001
  632   3HB   ALA  86          HB3       ALA  86  -7.593  27.161 -12.692
  633    H    ASP  87           H        ASP  87  -8.348  28.079  -9.875
  634    HA   ASP  87           HA       ASP  87  -5.924  29.401  -9.169
  635   1HB   ASP  87          HB2       ASP  87  -8.054  30.582  -9.453
  636   2HB   ASP  87          HB3       ASP  87  -8.754  29.688  -8.098
  637    H    LYS  88           H        LYS  88  -7.893  26.960  -7.519
  638    HA   LYS  88           HA       LYS  88  -6.682  27.558  -4.901
  639   1HB   LYS  88          HB2       LYS  88  -9.177  27.009  -5.359
  640   2HB   LYS  88          HB3       LYS  88  -8.639  25.334  -5.538
  641   1HG   LYS  88          HG2       LYS  88  -9.366  25.537  -3.315
  642   2HG   LYS  88          HG3       LYS  88  -7.602  25.585  -3.197
  643   1HD   LYS  88          HD2       LYS  88  -7.640  28.021  -2.917
  644   2HD   LYS  88          HD3       LYS  88  -9.393  28.058  -3.225
  645   1HE   LYS  88          HE2       LYS  88  -9.775  26.624  -1.256
  646   2HE   LYS  88          HE3       LYS  88  -8.037  26.574  -0.934
  647   1HZ   LYS  88          HZ1       LYS  88  -9.141  28.231   0.441
  648   2HZ   LYS  88          HZ2       LYS  88  -8.104  28.980  -0.565
  649   3HZ   LYS  88          HZ3       LYS  88  -9.711  29.025  -0.859
  650    H    CYS  89           H        CYS  89  -4.627  27.025  -6.253
  651    HA   CYS  89           HA       CYS  89  -3.754  24.355  -5.238
  652   1HB   CYS  89          HB2       CYS  89  -2.899  25.704  -7.833
  653   2HB   CYS  89          HB3       CYS  89  -2.036  24.360  -7.067
  654    HG   CYS  89           HG       CYS  89  -4.191  22.783  -6.904
  655    HA   PRO  90           HA       PRO  90  -2.300  28.076  -2.924
  656   1HB   PRO  90          HB2       PRO  90  -1.479  25.837  -1.080
  657   2HB   PRO  90          HB3       PRO  90  -2.162  27.446  -0.681
  658   1HG   PRO  90          HG2       PRO  90  -3.663  25.126  -0.772
  659   2HG   PRO  90          HG3       PRO  90  -4.339  26.734  -1.159
  660   1HD   PRO  90          HD2       PRO  90  -3.775  24.514  -2.999
  661   2HD   PRO  90          HD3       PRO  90  -4.739  25.986  -3.231
  662    H    MET  91           H        MET  91  -0.293  25.104  -3.123
  663    HA   MET  91           HA       MET  91   1.788  26.510  -4.532
  664   1HB   MET  91          HB2       MET  91   2.398  25.165  -1.848
  665   2HB   MET  91          HB3       MET  91   3.607  25.577  -3.061
  666   1HG   MET  91          HG2       MET  91   2.995  27.986  -2.817
  667   2HG   MET  91          HG3       MET  91   1.873  27.531  -1.530
  668   1HE   MET  91          HE1       MET  91   6.499  27.381  -1.216
  669   2HE   MET  91          HE2       MET  91   5.642  26.229  -2.255
  670   3HE   MET  91          HE3       MET  91   5.588  27.970  -2.622
  671    H    THR  92           H        THR  92   2.638  25.021  -6.023
  672    HA   THR  92           HA       THR  92   2.447  22.129  -5.395
  673    HB   THR  92           HB       THR  92   1.741  21.687  -7.754
  674    HG1  THR  92           HG1      THR  92   2.188  23.789  -8.575
  675   1HG2  THR  92          HG21      THR  92  -0.610  22.054  -7.392
  676   2HG2  THR  92          HG22      THR  92   0.156  21.565  -5.871
  677   3HG2  THR  92          HG23      THR  92  -0.279  23.263  -6.131
  678    HA   PRO  93           HA       PRO  93   6.627  23.781  -6.607
  679   1HB   PRO  93          HB2       PRO  93   8.119  22.483  -4.688
  680   2HB   PRO  93          HB3       PRO  93   7.240  24.011  -4.383
  681   1HG   PRO  93          HG2       PRO  93   6.325  21.177  -3.790
  682   2HG   PRO  93          HG3       PRO  93   6.321  22.595  -2.691
  683   1HD   PRO  93          HD2       PRO  93   4.099  21.844  -4.051
  684   2HD   PRO  93          HD3       PRO  93   4.489  23.572  -3.814
  685    HA   PRO  94           HA       PRO  94   7.853  20.779  -9.377
  686   1HB   PRO  94          HB2       PRO  94  10.544  20.464  -8.028
  687   2HB   PRO  94          HB3       PRO  94  10.181  20.600  -9.782
  688   1HG   PRO  94          HG2       PRO  94  10.963  22.793  -8.416
  689   2HG   PRO  94          HG3       PRO  94   9.577  22.908  -9.549
  690   1HD   PRO  94          HD2       PRO  94   9.542  22.693  -6.543
  691   2HD   PRO  94          HD3       PRO  94   8.519  23.683  -7.625
  692    H    HIS  95           H        HIS  95   8.185  19.406  -6.117
  693    HA   HIS  95           HA       HIS  95   8.536  16.649  -6.926
  694   1HB   HIS  95          HB2       HIS  95   8.753  17.401  -4.579
  695   2HB   HIS  95          HB3       HIS  95   7.053  17.874  -4.549
  696    HD1  HIS  95           HD1      HIS  95   5.242  15.649  -4.833
  697    HD2  HIS  95           HD2      HIS  95   9.317  14.920  -3.982
  698    HE1  HIS  95           HE1      HIS  95   5.388  13.266  -4.001
  699    H    VAL  96           H        VAL  96   5.823  18.861  -6.567
  700    HA   VAL  96           HA       VAL  96   3.724  17.006  -7.408
  701    HB   VAL  96           HB       VAL  96   3.493  20.009  -6.913
  702   1HG1  VAL  96          HG11      VAL  96   1.497  18.920  -7.739
  703   2HG1  VAL  96          HG12      VAL  96   1.630  17.651  -6.500
  704   3HG1  VAL  96          HG13      VAL  96   1.257  19.324  -6.043
  705   1HG2  VAL  96          HG21      VAL  96   2.999  19.687  -4.561
  706   2HG2  VAL  96          HG22      VAL  96   3.519  18.002  -4.647
  707   3HG2  VAL  96          HG23      VAL  96   4.681  19.321  -4.903
  708    H    LYS  97           H        LYS  97   2.487  17.497  -9.286
  709    HA   LYS  97           HA       LYS  97   3.460  19.531 -11.173
  710   1HB   LYS  97          HB2       LYS  97   3.582  18.120 -13.023
  711   2HB   LYS  97          HB3       LYS  97   4.378  17.187 -11.762
  712   1HG   LYS  97          HG2       LYS  97   2.006  16.069 -11.446
  713   2HG   LYS  97          HG3       LYS  97   1.657  16.802 -13.021
  714   1HD   LYS  97          HD2       LYS  97   3.751  15.645 -13.884
  715   2HD   LYS  97          HD3       LYS  97   3.808  14.762 -12.335
  716   1HE   LYS  97          HE2       LYS  97   1.809  13.585 -12.768
  717   2HE   LYS  97          HE3       LYS  97   1.256  14.784 -13.960
  718   1HZ   LYS  97          HZ1       LYS  97   3.158  14.011 -15.377
  719   2HZ   LYS  97          HZ2       LYS  97   3.288  12.704 -14.399
  720   3HZ   LYS  97          HZ3       LYS  97   1.908  13.001 -15.266
  721    H    ARG  98           H        ARG  98   1.508  19.862 -12.856
  722    HA   ARG  98           HA       ARG  98  -1.021  19.541 -11.317
  723   1HB   ARG  98          HB2       ARG  98   0.300  21.649 -10.735
  724   2HB   ARG  98          HB3       ARG  98  -0.007  22.196 -12.389
  725   1HG   ARG  98          HG2       ARG  98  -2.447  22.136 -11.949
  726   2HG   ARG  98          HG3       ARG  98  -2.156  21.432 -10.350
  727   1HD   ARG  98          HD2       ARG  98  -2.565  23.812 -10.108
  728   2HD   ARG  98          HD3       ARG  98  -0.899  23.443  -9.664
  729    HE   ARG  98           HE       ARG  98  -1.643  24.451 -12.390
  730   1HH1  ARG  98          HH21      ARG  98   0.368  24.862  -9.449
  731   2HH1  ARG  98          HH22      ARG  98   1.080  26.328 -10.011
  732   1HH2  ARG  98          HH11      ARG  98  -0.615  26.328 -13.130
  733   2HH2  ARG  98          HH12      ARG  98   0.565  27.138 -12.173
  734    H    GLU  99           H        GLU  99  -2.893  19.593 -12.538
  735    HA   GLU  99           HA       GLU  99  -2.718  20.048 -15.438
  736   1HB   GLU  99          HB2       GLU  99  -2.266  17.624 -14.995
  737   2HB   GLU  99          HB3       GLU  99  -3.789  17.509 -14.113
  738   1HG   GLU  99          HG2       GLU  99  -3.944  16.593 -16.383
  739   2HG   GLU  99          HG3       GLU  99  -5.050  17.942 -16.142
  740    H    HIS 100           H        HIS 100  -4.939  20.304 -16.355
  741    HA   HIS 100           HA       HIS 100  -6.922  21.302 -14.376
  742   1HB   HIS 100          HB2       HIS 100  -5.723  22.951 -16.645
  743   2HB   HIS 100          HB3       HIS 100  -6.975  23.469 -15.524
  744    HD1  HIS 100           HD1      HIS 100  -5.937  23.319 -12.766
  745    HD2  HIS 100           HD2      HIS 100  -3.375  23.925 -16.042
  746    HE1  HIS 100           HE1      HIS 100  -3.906  24.516 -11.854
  747    H    TRP 101           H        TRP 101  -9.032  21.120 -15.133
  748    HA   TRP 101           HA       TRP 101  -9.566  20.701 -18.026
  749   1HB   TRP 101          HB2       TRP 101 -10.837  19.033 -15.870
  750   2HB   TRP 101          HB3       TRP 101 -10.968  18.867 -17.620
  751    HD1  TRP 101           HD1      TRP 101  -8.896  17.864 -14.688
  752    HE1  TRP 101           HE1      TRP 101  -6.957  16.354 -15.355
  753    HE3  TRP 101           HE3      TRP 101  -9.091  18.478 -19.775
  754    HZ2  TRP 101           HZ2      TRP 101  -5.694  15.431 -17.774
  755    HZ3  TRP 101           HZ3      TRP 101  -7.484  17.272 -21.231
  756    HH2  TRP 101           HH2      TRP 101  -5.796  15.720 -20.236
  757    H    GLY 102           H        GLY 102 -12.427  20.452 -17.707
  758   1HA   GLY 102          HA1       GLY 102 -13.181  23.113 -16.573
  759   2HA   GLY 102          HA2       GLY 102 -13.358  22.776 -18.285
  760    H    PHE 103           H        PHE 103 -14.067  20.569 -15.494
  761    HA   PHE 103           HA       PHE 103 -16.592  19.904 -16.764
  762   1HB   PHE 103          HB2       PHE 103 -15.171  18.826 -14.305
  763   2HB   PHE 103          HB3       PHE 103 -16.731  18.241 -14.880
  764    HD1  PHE 103           HD1      PHE 103 -13.115  18.065 -15.430
  765    HD2  PHE 103           HD2      PHE 103 -16.966  17.357 -17.234
  766    HE1  PHE 103           HE1      PHE 103 -12.009  16.876 -17.275
  767    HE2  PHE 103           HE2      PHE 103 -15.881  16.098 -19.042
  768    HZ   PHE 103           HZ       PHE 103 -13.402  15.845 -19.096
  769    H    ASP 104           H        ASP 104 -18.414  20.935 -16.451
  770    HA   ASP 104           HA       ASP 104 -18.990  22.614 -14.141
  771   1HB   ASP 104          HB2       ASP 104 -19.946  23.041 -16.406
  772   2HB   ASP 104          HB3       ASP 104 -20.790  21.486 -16.316
  773    H    ASP 105           H        ASP 105 -20.766  22.093 -12.608
  774    HA   ASP 105           HA       ASP 105 -20.192  19.463 -11.581
  775   1HB   ASP 105          HB2       ASP 105 -20.480  21.578 -10.206
  776   2HB   ASP 105          HB3       ASP 105 -22.220  21.368 -10.414
  777    HA   PRO 106           HA       PRO 106 -23.648  17.649 -13.658
  778   1HB   PRO 106          HB2       PRO 106 -23.534  15.063 -12.685
  779   2HB   PRO 106          HB3       PRO 106 -22.372  15.725 -13.871
  780   1HG   PRO 106          HG2       PRO 106 -22.065  15.484 -10.868
  781   2HG   PRO 106          HG3       PRO 106 -20.888  15.046 -12.149
  782   1HD   PRO 106          HD2       PRO 106 -20.759  17.414 -10.806
  783   2HD   PRO 106          HD3       PRO 106 -20.329  17.296 -12.541
  784    H    ALA 107           H        ALA 107 -23.484  17.547 -10.092
  785    HA   ALA 107           HA       ALA 107 -26.080  16.403  -9.763
  786   1HB   ALA 107          HB1       ALA 107 -24.361  16.320  -8.017
  787   2HB   ALA 107          HB2       ALA 107 -24.449  18.087  -7.823
  788   3HB   ALA 107          HB3       ALA 107 -25.851  17.077  -7.418
  789    H    ARG 108           H        ARG 108 -25.060  19.629 -10.545
  790    HA   ARG 108           HA       ARG 108 -27.620  20.855  -9.695
  791   1HB   ARG 108          HB2       ARG 108 -24.978  21.992 -10.738
  792   2HB   ARG 108          HB3       ARG 108 -26.433  22.957 -10.525
  793   1HG   ARG 108          HG2       ARG 108 -25.253  23.356  -8.590
  794   2HG   ARG 108          HG3       ARG 108 -26.511  22.208  -8.112
  795   1HD   ARG 108          HD2       ARG 108 -24.821  20.378  -8.140
  796   2HD   ARG 108          HD3       ARG 108 -23.587  21.545  -8.655
  797    HE   ARG 108           HE       ARG 108 -24.794  22.495  -6.282
  798   1HH1  ARG 108          HH11      ARG 108 -22.660  19.835  -7.337
  799   2HH1  ARG 108          HH12      ARG 108 -21.911  19.658  -5.792
  800   1HH2  ARG 108          HH21      ARG 108 -23.788  22.247  -4.235
  801   2HH2  ARG 108          HH22      ARG 108 -22.575  21.053  -3.986
  802    H    ALA 109           H        ALA 109 -26.569  19.155 -12.418
  803    HA   ALA 109           HA       ALA 109 -27.509  20.775 -14.536
  804   1HB   ALA 109          HB1       ALA 109 -27.609  18.635 -15.761
  805   2HB   ALA 109          HB2       ALA 109 -26.108  18.731 -14.798
  806   3HB   ALA 109          HB3       ALA 109 -27.471  17.733 -14.238
  807    H    GLN 110           H        GLN 110 -29.556  20.931 -15.435
  808    HA   GLN 110           HA       GLN 110 -31.870  19.649 -14.092
  809   1HB   GLN 110          HB2       GLN 110 -31.218  22.625 -14.203
  810   2HB   GLN 110          HB3       GLN 110 -32.883  22.067 -14.055
  811   1HG   GLN 110          HG2       GLN 110 -32.541  21.108 -11.924
  812   2HG   GLN 110          HG3       GLN 110 -30.790  21.123 -12.076
  813   1HE2  GLN 110          HE22      GLN 110 -29.594  22.999 -11.705
  814   2HE2  GLN 110          HE21      GLN 110 -30.302  24.444 -10.996
  815    H    GLY 111           H        GLY 111 -33.859  20.044 -15.300
  816   1HA   GLY 111          HA1       GLY 111 -34.554  21.323 -17.502
  817   2HA   GLY 111          HA2       GLY 111 -33.505  20.081 -18.229
  818    H    THR 112           H        THR 112 -33.878  17.878 -16.801
  819    HA   THR 112           HA       THR 112 -36.447  17.303 -15.807
  820    HB   THR 112           HB       THR 112 -37.213  17.186 -18.075
  821    HG1  THR 112           HG1      THR 112 -37.975  15.169 -18.062
  822   1HG2  THR 112          HG21      THR 112 -36.247  15.641 -19.766
  823   2HG2  THR 112          HG22      THR 112 -35.171  16.982 -19.367
  824   3HG2  THR 112          HG23      THR 112 -34.860  15.368 -18.693
  825    H    GLU 113           H        GLU 113 -36.363  14.891 -15.095
  826    HA   GLU 113           HA       GLU 113 -33.937  14.555 -13.651
  827   1HB   GLU 113          HB2       GLU 113 -36.054  13.685 -12.839
  828   2HB   GLU 113          HB3       GLU 113 -36.222  12.627 -14.249
  829   1HG   GLU 113          HG2       GLU 113 -34.285  11.310 -13.570
  830   2HG   GLU 113          HG3       GLU 113 -33.936  12.425 -12.242
  831    H    GLU 114           H        GLU 114 -35.104  13.080 -16.674
  832    HA   GLU 114           HA       GLU 114 -32.878  11.310 -16.913
  833   1HB   GLU 114          HB2       GLU 114 -33.629  10.899 -19.192
  834   2HB   GLU 114          HB3       GLU 114 -34.958  10.816 -18.038
  835   1HG   GLU 114          HG2       GLU 114 -35.708  13.076 -18.714
  836   2HG   GLU 114          HG3       GLU 114 -34.365  13.190 -19.858
  837    H    GLU 115           H        GLU 115 -33.274  14.719 -17.735
  838    HA   GLU 115           HA       GLU 115 -30.946  14.803 -19.443
  839   1HB   GLU 115          HB2       GLU 115 -32.786  16.419 -19.713
  840   2HB   GLU 115          HB3       GLU 115 -32.490  17.044 -18.091
  841   1HG   GLU 115          HG2       GLU 115 -31.533  18.534 -19.736
  842   2HG   GLU 115          HG3       GLU 115 -30.256  17.826 -18.762
  843    H    LYS 116           H        LYS 116 -31.759  15.555 -16.030
  844    HA   LYS 116           HA       LYS 116 -29.190  16.388 -15.194
  845   1HB   LYS 116          HB2       LYS 116 -31.120  16.773 -13.817
  846   2HB   LYS 116          HB3       LYS 116 -31.500  15.049 -13.743
  847   1HG   LYS 116          HG2       LYS 116 -29.531  14.585 -12.456
  848   2HG   LYS 116          HG3       LYS 116 -28.968  16.263 -12.575
  849   1HD   LYS 116          HD2       LYS 116 -31.696  15.814 -11.393
  850   2HD   LYS 116          HD3       LYS 116 -30.312  15.206 -10.464
  851   1HE   LYS 116          HE2       LYS 116 -29.268  17.535 -10.729
  852   2HE   LYS 116          HE3       LYS 116 -30.840  18.065 -11.331
  853   1HZ   LYS 116          HZ1       LYS 116 -30.357  16.889  -8.656
  854   2HZ   LYS 116          HZ2       LYS 116 -30.599  18.464  -8.967
  855   3HZ   LYS 116          HZ3       LYS 116 -31.813  17.397  -9.211
  856    H    TRP 117           H        TRP 117 -30.628  13.093 -15.207
  857    HA   TRP 117           HA       TRP 117 -28.237  11.789 -14.349
  858   1HB   TRP 117          HB2       TRP 117 -30.437  10.700 -14.288
  859   2HB   TRP 117          HB3       TRP 117 -30.516  10.709 -16.049
  860    HD1  TRP 117           HD1      TRP 117 -29.033   8.944 -17.358
  861    HE1  TRP 117           HE1      TRP 117 -27.914   6.730 -16.674
  862    HE3  TRP 117           HE3      TRP 117 -28.938   9.611 -12.287
  863    HZ2  TRP 117           HZ2      TRP 117 -26.994   5.480 -14.280
  864    HZ3  TRP 117           HZ3      TRP 117 -27.766   7.975 -10.841
  865    HH2  TRP 117           HH2      TRP 117 -26.800   5.900 -11.810
  866    H    ALA 118           H        ALA 118 -29.413  12.599 -17.687
  867    HA   ALA 118           HA       ALA 118 -27.278  11.308 -19.013
  868   1HB   ALA 118          HB1       ALA 118 -29.312  12.113 -20.149
  869   2HB   ALA 118          HB2       ALA 118 -28.800  13.796 -19.880
  870   3HB   ALA 118          HB3       ALA 118 -27.840  12.717 -20.918
  871    H    PHE 119           H        PHE 119 -27.422  14.539 -17.445
  872    HA   PHE 119           HA       PHE 119 -24.838  15.361 -18.328
  873   1HB   PHE 119          HB2       PHE 119 -26.822  16.628 -17.083
  874   2HB   PHE 119          HB3       PHE 119 -25.909  16.197 -15.648
  875    HD1  PHE 119           HD1      PHE 119 -26.385  18.650 -18.136
  876    HD2  PHE 119           HD2      PHE 119 -23.283  16.815 -15.766
  877    HE1  PHE 119           HE1      PHE 119 -24.952  20.647 -18.457
  878    HE2  PHE 119           HE2      PHE 119 -21.888  18.854 -16.019
  879    HZ   PHE 119           HZ       PHE 119 -22.709  20.753 -17.403
  880    H    PHE 120           H        PHE 120 -25.935  13.487 -15.419
  881    HA   PHE 120           HA       PHE 120 -23.394  13.108 -14.212
  882   1HB   PHE 120          HB2       PHE 120 -25.522  10.968 -14.371
  883   2HB   PHE 120          HB3       PHE 120 -24.202  11.105 -13.240
  884    HD1  PHE 120           HD1      PHE 120 -26.429  10.359 -12.043
  885    HD2  PHE 120           HD2      PHE 120 -25.543  14.407 -13.262
  886    HE1  PHE 120           HE1      PHE 120 -28.047  11.224 -10.380
  887    HE2  PHE 120           HE2      PHE 120 -27.083  15.249 -11.550
  888    HZ   PHE 120           HZ       PHE 120 -28.362  13.677 -10.113
  889    H    GLN 121           H        GLN 121 -25.024  11.334 -16.934
  890    HA   GLN 121           HA       GLN 121 -22.985   9.360 -17.305
  891   1HB   GLN 121          HB2       GLN 121 -25.077  10.488 -19.198
  892   2HB   GLN 121          HB3       GLN 121 -23.978   9.217 -19.660
  893   1HG   GLN 121          HG2       GLN 121 -25.749   8.915 -17.208
  894   2HG   GLN 121          HG3       GLN 121 -26.368   8.622 -18.824
  895   1HE2  GLN 121          HE22      GLN 121 -24.878   7.063 -16.212
  896   2HE2  GLN 121          HE21      GLN 121 -24.281   5.666 -17.070
  897    H    ARG 122           H        ARG 122 -23.493  12.494 -19.007
  898    HA   ARG 122           HA       ARG 122 -21.251  12.278 -20.726
  899   1HB   ARG 122          HB2       ARG 122 -22.776  14.651 -19.598
  900   2HB   ARG 122          HB3       ARG 122 -21.223  14.936 -20.349
  901   1HG   ARG 122          HG2       ARG 122 -22.251  15.127 -22.289
  902   2HG   ARG 122          HG3       ARG 122 -22.375  13.376 -22.291
  903   1HD   ARG 122          HD2       ARG 122 -24.516  14.318 -22.824
  904   2HD   ARG 122          HD3       ARG 122 -24.615  13.564 -21.227
  905    HE   ARG 122           HE       ARG 122 -23.962  16.320 -20.918
  906   1HH1  ARG 122          HH21      ARG 122 -26.762  14.409 -22.075
  907   2HH1  ARG 122          HH22      ARG 122 -27.908  15.594 -21.450
  908   1HH2  ARG 122          HH11      ARG 122 -25.634  17.844 -20.215
  909   2HH2  ARG 122          HH12      ARG 122 -27.312  17.384 -20.472
  910    H    VAL 123           H        VAL 123 -21.420  13.809 -17.460
  911    HA   VAL 123           HA       VAL 123 -18.630  14.449 -17.552
  912    HB   VAL 123           HB       VAL 123 -20.566  14.343 -15.202
  913   1HG1  VAL 123          HG11      VAL 123 -17.811  15.646 -15.436
  914   2HG1  VAL 123          HG12      VAL 123 -18.955  15.900 -14.098
  915   3HG1  VAL 123          HG13      VAL 123 -18.246  14.300 -14.363
  916   1HG2  VAL 123          HG21      VAL 123 -19.587  16.655 -16.964
  917   2HG2  VAL 123          HG22      VAL 123 -21.219  15.969 -16.993
  918   3HG2  VAL 123          HG23      VAL 123 -20.644  16.817 -15.551
  919    H    ARG 124           H        ARG 124 -20.378  11.562 -16.185
  920    HA   ARG 124           HA       ARG 124 -18.140  10.289 -15.061
  921   1HB   ARG 124          HB2       ARG 124 -20.779   9.470 -16.175
  922   2HB   ARG 124          HB3       ARG 124 -19.584   8.267 -16.495
  923   1HG   ARG 124          HG2       ARG 124 -19.038   7.973 -14.188
  924   2HG   ARG 124          HG3       ARG 124 -20.113   9.307 -13.696
  925   1HD   ARG 124          HD2       ARG 124 -20.998   6.778 -15.171
  926   2HD   ARG 124          HD3       ARG 124 -21.054   6.993 -13.418
  927    HE   ARG 124           HE       ARG 124 -22.406   9.166 -14.710
  928   1HH1  ARG 124          HH22      ARG 124 -22.828   5.763 -13.737
  929   2HH1  ARG 124          HH21      ARG 124 -24.541   5.774 -13.849
  930   1HH2  ARG 124          HH11      ARG 124 -24.774   9.225 -14.644
  931   2HH2  ARG 124          HH12      ARG 124 -25.642   7.864 -14.063
  932    H    ASP 125           H        ASP 125 -19.354  10.018 -18.399
  933    HA   ASP 125           HA       ASP 125 -17.386   8.234 -19.301
  934   1HB   ASP 125          HB2       ASP 125 -19.470   8.627 -20.517
  935   2HB   ASP 125          HB3       ASP 125 -18.999  10.295 -20.856
  936    H    GLU 126           H        GLU 126 -17.448  11.838 -19.415
  937    HA   GLU 126           HA       GLU 126 -14.951  11.867 -20.796
  938   1HB   GLU 126          HB2       GLU 126 -16.665  14.048 -19.629
  939   2HB   GLU 126          HB3       GLU 126 -15.136  14.379 -20.457
  940   1HG   GLU 126          HG2       GLU 126 -17.429  12.843 -21.747
  941   2HG   GLU 126          HG3       GLU 126 -17.233  14.586 -21.851
  942    H    ILE 127           H        ILE 127 -15.745  11.986 -17.320
  943    HA   ILE 127           HA       ILE 127 -13.073  12.838 -16.573
  944    HB   ILE 127           HB       ILE 127 -15.508  12.196 -15.194
  945   1HG1  ILE 127          HG12      ILE 127 -14.222  13.051 -13.169
  946   2HG1  ILE 127          HG13      ILE 127 -12.838  13.259 -14.247
  947   1HG2  ILE 127          HG21      ILE 127 -14.835  10.909 -13.293
  948   2HG2  ILE 127          HG22      ILE 127 -14.792   9.984 -14.792
  949   3HG2  ILE 127          HG23      ILE 127 -13.267  10.550 -14.052
  950   1HD1  ILE 127          HD11      ILE 127 -15.634  14.450 -14.634
  951   2HD1  ILE 127          HD12      ILE 127 -14.219  15.343 -14.030
  952   3HD1  ILE 127          HD13      ILE 127 -14.246  14.735 -15.707
  953    H    GLY 128           H        GLY 128 -14.722   9.672 -17.076
  954   1HA   GLY 128          HA1       GLY 128 -12.515   8.043 -16.484
  955   2HA   GLY 128          HA2       GLY 128 -13.881   7.598 -17.535
  956    H    ASN 129           H        ASN 129 -13.622   9.353 -19.642
  957    HA   ASN 129           HA       ASN 129 -11.591   8.357 -21.310
  958   1HB   ASN 129          HB2       ASN 129 -13.712   9.476 -22.008
  959   2HB   ASN 129          HB3       ASN 129 -13.056  11.011 -21.438
  960   1HD2  ASN 129          HD22      ASN 129 -13.539  11.762 -23.597
  961   2HD2  ASN 129          HD21      ASN 129 -12.506  11.315 -24.953
  962    H    ARG 130           H        ARG 130 -11.608  11.313 -19.280
  963    HA   ARG 130           HA       ARG 130  -9.084  12.331 -20.144
  964   1HB   ARG 130          HB2       ARG 130 -11.033  12.982 -18.073
  965   2HB   ARG 130          HB3       ARG 130  -9.487  12.797 -17.295
  966   1HG   ARG 130          HG2       ARG 130  -9.654  15.052 -17.798
  967   2HG   ARG 130          HG3       ARG 130  -8.505  14.411 -18.977
  968   1HD   ARG 130          HD2       ARG 130 -11.468  14.876 -19.503
  969   2HD   ARG 130          HD3       ARG 130 -10.229  16.058 -19.874
  970    HE   ARG 130           HE       ARG 130  -9.212  14.440 -21.441
  971   1HH1  ARG 130          HH21      ARG 130 -12.604  13.831 -20.576
  972   2HH1  ARG 130          HH22      ARG 130 -13.103  13.442 -22.186
  973   1HH2  ARG 130          HH11      ARG 130  -9.714  13.253 -23.333
  974   2HH2  ARG 130          HH12      ARG 130 -11.372  12.889 -23.710
  975    H    LEU 131           H        LEU 131  -9.977  10.136 -17.499
  976    HA   LEU 131           HA       LEU 131  -7.275   9.900 -16.585
  977   1HB   LEU 131          HB2       LEU 131  -9.812   8.364 -15.965
  978   2HB   LEU 131          HB3       LEU 131  -8.293   8.099 -15.094
  979    HG   LEU 131           HG       LEU 131  -9.498  10.900 -15.354
  980   1HD1  LEU 131          HD11      LEU 131 -10.548  10.607 -13.189
  981   2HD1  LEU 131          HD12      LEU 131 -11.212   9.516 -14.415
  982   3HD1  LEU 131          HD13      LEU 131 -10.086   8.889 -13.183
  983   1HD2  LEU 131          HD21      LEU 131  -7.153  10.828 -14.656
  984   2HD2  LEU 131          HD22      LEU 131  -8.204  11.350 -13.350
  985   3HD2  LEU 131          HD23      LEU 131  -7.556   9.688 -13.356
  986    H    LYS 132           H        LYS 132  -9.237   7.964 -18.820
  987    HA   LYS 132           HA       LYS 132  -7.367   5.881 -19.226
  988   1HB   LYS 132          HB2       LYS 132  -9.425   5.425 -20.110
  989   2HB   LYS 132          HB3       LYS 132  -9.704   7.039 -20.700
  990   1HG   LYS 132          HG2       LYS 132  -7.530   5.529 -22.107
  991   2HG   LYS 132          HG3       LYS 132  -9.161   4.882 -22.277
  992   1HD   LYS 132          HD2       LYS 132 -10.035   6.886 -23.191
  993   2HD   LYS 132          HD3       LYS 132  -8.648   7.834 -22.693
  994   1HE   LYS 132          HE2       LYS 132  -8.811   7.410 -25.141
  995   2HE   LYS 132          HE3       LYS 132  -7.259   7.003 -24.400
  996   1HZ   LYS 132          HZ1       LYS 132  -8.141   5.335 -25.994
  997   2HZ   LYS 132          HZ2       LYS 132  -7.715   4.738 -24.541
  998   3HZ   LYS 132          HZ3       LYS 132  -9.319   4.950 -24.930
  999    H    GLU 133           H        GLU 133  -7.675   9.036 -20.993
 1000    HA   GLU 133           HA       GLU 133  -5.324   8.568 -22.598
 1001   1HB   GLU 133          HB2       GLU 133  -6.574  11.190 -21.641
 1002   2HB   GLU 133          HB3       GLU 133  -5.223  11.069 -22.775
 1003   1HG   GLU 133          HG2       GLU 133  -6.650   9.791 -24.350
 1004   2HG   GLU 133          HG3       GLU 133  -8.027   9.987 -23.264
 1005    H    PHE 134           H        PHE 134  -5.756  10.271 -19.465
 1006    HA   PHE 134           HA       PHE 134  -3.085  11.025 -19.123
 1007   1HB   PHE 134          HB2       PHE 134  -4.828  11.876 -17.754
 1008   2HB   PHE 134          HB3       PHE 134  -5.309  10.254 -17.242
 1009    HD1  PHE 134           HD1      PHE 134  -4.327   9.143 -15.388
 1010    HD2  PHE 134           HD2      PHE 134  -2.683  12.840 -16.888
 1011    HE1  PHE 134           HE1      PHE 134  -2.824   9.294 -13.400
 1012    HE2  PHE 134           HE2      PHE 134  -1.165  12.957 -14.941
 1013    HZ   PHE 134           HZ       PHE 134  -1.268  11.194 -13.186
 1014    H    ALA 135           H        ALA 135  -4.619   7.867 -18.513
 1015    HA   ALA 135           HA       ALA 135  -2.281   6.762 -17.246
 1016   1HB   ALA 135          HB1       ALA 135  -4.510   5.896 -16.731
 1017   2HB   ALA 135          HB2       ALA 135  -4.728   5.382 -18.421
 1018   3HB   ALA 135          HB3       ALA 135  -3.491   4.613 -17.407
 1019    H    GLU 136           H        GLU 136  -3.727   6.487 -20.510
 1020    HA   GLU 136           HA       GLU 136  -1.798   4.615 -21.487
 1021   1HB   GLU 136          HB2       GLU 136  -3.818   6.389 -22.912
 1022   2HB   GLU 136          HB3       GLU 136  -2.709   5.303 -23.759
 1023   1HG   GLU 136          HG2       GLU 136  -3.593   3.424 -22.241
 1024   2HG   GLU 136          HG3       GLU 136  -4.886   4.536 -21.796
 1025    H    THR 137           H        THR 137  -2.066   8.136 -21.757
 1026    HA   THR 137           HA       THR 137   0.243   8.300 -23.431
 1027    HB   THR 137           HB       THR 137  -0.192  10.645 -23.515
 1028    HG1  THR 137           HG1      THR 137  -2.251  10.202 -21.631
 1029   1HG2  THR 137          HG21      THR 137  -1.541   9.153 -24.924
 1030   2HG2  THR 137          HG22      THR 137  -2.757   8.985 -23.655
 1031   3HG2  THR 137          HG23      THR 137  -2.492  10.569 -24.423
 1032    H    GLY 138           H        GLY 138  -0.386   8.238 -20.053
 1033   1HA   GLY 138          HA1       GLY 138   0.812   8.542 -18.165
 1034   2HA   GLY 138          HA2       GLY 138   2.306   8.390 -19.126
 1035    H    LYS 139           H        LYS 139  -0.377  10.744 -19.365
 1036    HA   LYS 139           HA       LYS 139   1.203  12.894 -20.049
 1037   1HB   LYS 139          HB2       LYS 139  -1.435  12.449 -19.961
 1038   2HB   LYS 139          HB3       LYS 139  -1.318  13.453 -18.513
 1039   1HG   LYS 139          HG2       LYS 139  -0.291  15.261 -19.801
 1040   2HG   LYS 139          HG3       LYS 139  -0.216  14.250 -21.245
 1041   1HD   LYS 139          HD2       LYS 139  -2.739  15.245 -19.858
 1042   2HD   LYS 139          HD3       LYS 139  -2.075  15.850 -21.368
 1043   1HE   LYS 139          HE2       LYS 139  -3.320  13.106 -20.877
 1044   2HE   LYS 139          HE3       LYS 139  -3.984  14.438 -21.826
 1045   1HZ   LYS 139          HZ1       LYS 139  -1.952  14.132 -23.289
 1046   2HZ   LYS 139          HZ2       LYS 139  -1.707  12.695 -22.500
 1047   3HZ   LYS 139          HZ3       LYS 139  -3.070  12.945 -23.344
  Start of MODEL   17
    1   1H    MET   1           H1       MET   1   1.526  -2.763  -2.612
    2   2H    MET   1           H2       MET   1   0.552  -1.610  -3.268
    3   3H    MET   1           H3       MET   1   2.042  -1.874  -3.904
    4    HA   MET   1           HA       MET   1   1.432  -0.785  -1.263
    5   1HB   MET   1          HB2       MET   1   3.731  -0.533  -0.805
    6   2HB   MET   1          HB3       MET   1   3.506  -2.207  -1.275
    7   1HG   MET   1          HG2       MET   1   4.709   0.022  -2.971
    8   2HG   MET   1          HG3       MET   1   5.574  -1.273  -2.163
    9   1HE   MET   1          HE1       MET   1   6.131  -0.512  -5.143
   10   2HE   MET   1          HE2       MET   1   6.941  -1.854  -4.304
   11   3HE   MET   1          HE3       MET   1   6.214  -2.116  -5.904
   12    H    GLU   2           H        GLU   2   1.630   1.485  -1.058
   13    HA   GLU   2           HA       GLU   2   1.123   3.017  -3.421
   14   1HB   GLU   2          HB2       GLU   2   1.056   4.889  -1.981
   15   2HB   GLU   2          HB3       GLU   2   0.263   3.561  -1.148
   16   1HG   GLU   2          HG2       GLU   2   3.042   4.682  -0.616
   17   2HG   GLU   2          HG3       GLU   2   1.602   4.965   0.344
   18    H    ASN   3           H        ASN   3   2.389   4.616  -4.395
   19    HA   ASN   3           HA       ASN   3   5.223   4.908  -3.656
   20   1HB   ASN   3          HB2       ASN   3   4.425   4.383  -6.548
   21   2HB   ASN   3          HB3       ASN   3   6.036   4.705  -5.935
   22   1HD2  ASN   3          HD22      ASN   3   3.381   2.404  -5.915
   23   2HD2  ASN   3          HD21      ASN   3   4.298   0.983  -5.477
   24    H    LYS   4           H        LYS   4   2.461   5.871  -5.665
   25    HA   LYS   4           HA       LYS   4   3.452   8.697  -5.812
   26   1HB   LYS   4          HB2       LYS   4   1.947   6.935  -7.795
   27   2HB   LYS   4          HB3       LYS   4   2.111   8.677  -7.999
   28   1HG   LYS   4          HG2       LYS   4   4.211   8.546  -8.771
   29   2HG   LYS   4          HG3       LYS   4   4.739   7.466  -7.494
   30   1HD   LYS   4          HD2       LYS   4   5.047   6.455  -9.681
   31   2HD   LYS   4          HD3       LYS   4   3.907   5.511  -8.710
   32   1HE   LYS   4          HE2       LYS   4   2.019   6.339  -9.928
   33   2HE   LYS   4          HE3       LYS   4   2.975   7.598 -10.720
   34   1HZ   LYS   4          HZ1       LYS   4   3.203   4.663 -11.199
   35   2HZ   LYS   4          HZ2       LYS   4   2.601   5.780 -12.225
   36   3HZ   LYS   4          HZ3       LYS   4   4.190   5.794 -11.872
   37    H    ILE   5           H        ILE   5   1.597  10.269  -6.168
   38    HA   ILE   5           HA       ILE   5  -0.941   9.486  -4.861
   39    HB   ILE   5           HB       ILE   5   0.985  11.678  -3.990
   40   1HG1  ILE   5          HG12      ILE   5  -0.420   9.565  -2.319
   41   2HG1  ILE   5          HG13      ILE   5   1.227   9.425  -2.928
   42   1HG2  ILE   5          HG21      ILE   5  -1.245  12.749  -4.155
   43   2HG2  ILE   5          HG22      ILE   5  -1.957  11.440  -3.206
   44   3HG2  ILE   5          HG23      ILE   5  -0.800  12.581  -2.469
   45   1HD1  ILE   5          HD11      ILE   5   1.373  10.108  -0.656
   46   2HD1  ILE   5          HD12      ILE   5   1.855  11.490  -1.658
   47   3HD1  ILE   5          HD13      ILE   5   0.248  11.449  -0.889
   48    H    ILE   6           H        ILE   6  -2.640  10.481  -5.874
   49    HA   ILE   6           HA       ILE   6  -2.071  12.805  -7.643
   50    HB   ILE   6           HB       ILE   6  -2.299  11.027  -9.173
   51   1HG1  ILE   6          HG12      ILE   6  -5.036  12.373  -8.992
   52   2HG1  ILE   6          HG13      ILE   6  -3.568  13.189  -9.529
   53   1HG2  ILE   6          HG21      ILE   6  -4.210   9.453  -9.235
   54   2HG2  ILE   6          HG22      ILE   6  -3.245   9.261  -7.772
   55   3HG2  ILE   6          HG23      ILE   6  -4.797  10.121  -7.701
   56   1HD1  ILE   6          HD11      ILE   6  -4.815  12.536 -11.463
   57   2HD1  ILE   6          HD12      ILE   6  -3.363  11.528 -11.398
   58   3HD1  ILE   6          HD13      ILE   6  -4.938  10.854 -10.913
   59    H    TYR   7           H        TYR   7  -3.534  14.460  -7.214
   60    HA   TYR   7           HA       TYR   7  -5.584  13.949  -5.106
   61   1HB   TYR   7          HB2       TYR   7  -3.420  14.825  -4.277
   62   2HB   TYR   7          HB3       TYR   7  -3.587  16.224  -5.328
   63    HD1  TYR   7           HD1      TYR   7  -3.857  18.090  -3.915
   64    HD2  TYR   7           HD2      TYR   7  -6.016  14.469  -3.009
   65    HE1  TYR   7           HE1      TYR   7  -4.831  19.166  -1.897
   66    HE2  TYR   7           HE2      TYR   7  -6.993  15.539  -1.010
   67    HH   TYR   7           HH       TYR   7  -6.996  17.426   0.354
   68    H    PHE   8           H        PHE   8  -7.517  14.236  -6.138
   69    HA   PHE   8           HA       PHE   8  -7.861  16.047  -8.376
   70   1HB   PHE   8          HB2       PHE   8  -9.755  14.357  -6.675
   71   2HB   PHE   8          HB3       PHE   8 -10.273  15.328  -8.041
   72    HD1  PHE   8           HD1      PHE   8  -8.957  14.968 -10.276
   73    HD2  PHE   8           HD2      PHE   8  -9.058  12.099  -7.069
   74    HE1  PHE   8           HE1      PHE   8  -8.156  13.212 -11.837
   75    HE2  PHE   8           HE2      PHE   8  -8.248  10.349  -8.646
   76    HZ   PHE   8           HZ       PHE   8  -7.750  10.908 -10.989
   77    H    LEU   9           H        LEU   9  -8.833  18.030  -8.394
   78    HA   LEU   9           HA       LEU   9  -9.775  19.210  -5.823
   79   1HB   LEU   9          HB2       LEU   9  -7.402  19.865  -7.419
   80   2HB   LEU   9          HB3       LEU   9  -8.540  21.175  -7.550
   81    HG   LEU   9           HG       LEU   9  -7.001  21.627  -5.779
   82   1HD1  LEU   9          HD11      LEU   9  -8.494  22.272  -4.072
   83   2HD1  LEU   9          HD12      LEU   9  -9.487  22.226  -5.521
   84   3HD1  LEU   9          HD13      LEU   9  -9.564  20.887  -4.342
   85   1HD2  LEU   9          HD21      LEU   9  -7.898  19.068  -4.403
   86   2HD2  LEU   9          HD22      LEU   9  -6.370  19.284  -5.268
   87   3HD2  LEU   9          HD23      LEU   9  -6.698  20.234  -3.819
   88    H    CYS  10           H        CYS  10 -11.695  20.444  -6.069
   89    HA   CYS  10           HA       CYS  10 -12.405  21.468  -8.699
   90   1HB   CYS  10          HB2       CYS  10 -13.145  18.918  -8.408
   91   2HB   CYS  10          HB3       CYS  10 -14.463  19.620  -7.455
   92    HG   CYS  10           HG       CYS  10 -15.155  19.146  -9.980
   93    H    THR  11           H        THR  11 -14.753  22.647  -8.476
   94    HA   THR  11           HA       THR  11 -14.526  24.362  -6.201
   95    HB   THR  11           HB       THR  11 -16.808  25.181  -7.121
   96    HG1  THR  11           HG1      THR  11 -17.148  24.601  -9.251
   97   1HG2  THR  11          HG21      THR  11 -15.608  26.406  -8.896
   98   2HG2  THR  11          HG22      THR  11 -14.655  26.325  -7.402
   99   3HG2  THR  11          HG23      THR  11 -14.243  25.276  -8.761
  100    H    GLY  12           H        GLY  12 -15.907  21.275  -6.439
  101   1HA   GLY  12          HA1       GLY  12 -16.664  21.431  -3.685
  102   2HA   GLY  12          HA2       GLY  12 -18.053  21.082  -4.747
  103    H    ASN  13           H        ASN  13 -15.753  19.624  -2.946
  104    HA   ASN  13           HA       ASN  13 -14.520  17.632  -4.545
  105   1HB   ASN  13          HB2       ASN  13 -13.989  18.224  -2.173
  106   2HB   ASN  13          HB3       ASN  13 -15.504  17.515  -1.649
  107   1HD2  ASN  13          HD22      ASN  13 -13.008  16.766  -0.655
  108   2HD2  ASN  13          HD21      ASN  13 -12.609  15.139  -1.156
  109    H    SER  14           H        SER  14 -17.590  17.712  -2.845
  110    HA   SER  14           HA       SER  14 -18.506  15.348  -2.483
  111   1HB   SER  14          HB2       SER  14 -20.252  17.492  -3.703
  112   2HB   SER  14          HB3       SER  14 -20.665  16.366  -2.400
  113    HG   SER  14           HG       SER  14 -20.014  18.697  -1.985
  114    H    CYS  15           H        CYS  15 -18.319  16.528  -5.799
  115    HA   CYS  15           HA       CYS  15 -19.761  14.083  -6.705
  116   1HB   CYS  15          HB2       CYS  15 -19.937  16.772  -8.111
  117   2HB   CYS  15          HB3       CYS  15 -20.875  15.309  -8.427
  118    HG   CYS  15           HG       CYS  15 -22.089  17.478  -7.330
  119    H    ARG  16           H        ARG  16 -17.948  16.754  -8.314
  120    HA   ARG  16           HA       ARG  16 -17.002  15.028 -10.333
  121   1HB   ARG  16          HB2       ARG  16 -16.187  17.806  -9.420
  122   2HB   ARG  16          HB3       ARG  16 -15.363  17.034 -10.774
  123   1HG   ARG  16          HG2       ARG  16 -17.290  16.921 -12.112
  124   2HG   ARG  16          HG3       ARG  16 -18.394  17.159 -10.757
  125   1HD   ARG  16          HD2       ARG  16 -16.471  19.295 -11.746
  126   2HD   ARG  16          HD3       ARG  16 -18.147  19.144 -12.276
  127    HE   ARG  16           HE       ARG  16 -18.500  19.194  -9.588
  128   1HH1  ARG  16          HH21      ARG  16 -16.982  21.497 -11.833
  129   2HH1  ARG  16          HH22      ARG  16 -16.833  22.730 -10.602
  130   1HH2  ARG  16          HH11      ARG  16 -18.539  20.827  -8.146
  131   2HH2  ARG  16          HH12      ARG  16 -17.795  22.387  -8.504
  132    H    SER  17           H        SER  17 -15.159  16.179  -7.409
  133    HA   SER  17           HA       SER  17 -12.802  14.777  -8.201
  134   1HB   SER  17          HB2       SER  17 -13.621  15.530  -5.390
  135   2HB   SER  17          HB3       SER  17 -11.982  15.291  -6.031
  136    HG   SER  17           HG       SER  17 -12.472  17.487  -5.866
  137    H    GLN  18           H        GLN  18 -15.495  13.865  -5.977
  138    HA   GLN  18           HA       GLN  18 -14.474  11.359  -5.208
  139   1HB   GLN  18          HB2       GLN  18 -17.358  12.298  -5.622
  140   2HB   GLN  18          HB3       GLN  18 -16.929  10.785  -4.837
  141   1HG   GLN  18          HG2       GLN  18 -16.089  13.539  -3.863
  142   2HG   GLN  18          HG3       GLN  18 -17.428  12.615  -3.223
  143   1HE2  GLN  18          HE22      GLN  18 -14.519  13.511  -2.309
  144   2HE2  GLN  18          HE21      GLN  18 -14.090  12.108  -1.321
  145    H    MET  19           H        MET  19 -16.458  12.150  -8.104
  146    HA   MET  19           HA       MET  19 -16.668   9.442  -9.052
  147   1HB   MET  19          HB2       MET  19 -16.867  12.139 -10.471
  148   2HB   MET  19          HB3       MET  19 -17.233  10.588 -11.241
  149   1HG   MET  19          HG2       MET  19 -19.093  10.178  -9.812
  150   2HG   MET  19          HG3       MET  19 -18.600  11.427  -8.681
  151   1HE   MET  19          HE1       MET  19 -20.647  12.269 -12.753
  152   2HE   MET  19          HE2       MET  19 -19.005  11.596 -12.668
  153   3HE   MET  19          HE3       MET  19 -20.390  10.652 -12.062
  154    H    ALA  20           H        ALA  20 -14.352  12.126  -9.855
  155    HA   ALA  20           HA       ALA  20 -12.848  10.739 -11.779
  156   1HB   ALA  20          HB1       ALA  20 -11.103  12.370 -11.330
  157   2HB   ALA  20          HB2       ALA  20 -12.669  13.193 -11.250
  158   3HB   ALA  20          HB3       ALA  20 -11.811  12.773  -9.758
  159    H    GLU  21           H        GLU  21 -12.454  10.840  -8.231
  160    HA   GLU  21           HA       GLU  21 -10.099   9.301  -8.042
  161   1HB   GLU  21          HB2       GLU  21 -10.845  10.583  -6.228
  162   2HB   GLU  21          HB3       GLU  21 -12.426   9.781  -6.151
  163   1HG   GLU  21          HG2       GLU  21 -11.331   7.701  -5.456
  164   2HG   GLU  21          HG3       GLU  21  -9.752   8.476  -5.521
  165    H    GLY  22           H        GLY  22 -13.543   8.215  -8.067
  166   1HA   GLY  22          HA1       GLY  22 -13.081   5.469  -7.732
  167   2HA   GLY  22          HA2       GLY  22 -14.440   6.189  -8.601
  168    H    TRP  23           H        TRP  23 -13.117   7.372 -10.870
  169    HA   TRP  23           HA       TRP  23 -12.654   4.972 -12.446
  170   1HB   TRP  23          HB2       TRP  23 -12.202   7.916 -13.060
  171   2HB   TRP  23          HB3       TRP  23 -11.935   6.627 -14.220
  172    HD1  TRP  23           HD1      TRP  23 -14.629   8.664 -12.599
  173    HE1  TRP  23           HE1      TRP  23 -16.838   8.340 -13.778
  174    HE3  TRP  23           HE3      TRP  23 -13.342   4.745 -15.642
  175    HZ2  TRP  23           HZ2      TRP  23 -17.941   6.629 -15.812
  176    HZ3  TRP  23           HZ3      TRP  23 -14.998   3.841 -17.254
  177    HH2  TRP  23           HH2      TRP  23 -17.303   4.797 -17.352
  178    H    ALA  24           H        ALA  24 -10.469   7.514 -11.107
  179    HA   ALA  24           HA       ALA  24  -8.207   6.642 -12.540
  180   1HB   ALA  24          HB1       ALA  24  -8.454   8.831 -11.315
  181   2HB   ALA  24          HB2       ALA  24  -8.220   7.967  -9.791
  182   3HB   ALA  24          HB3       ALA  24  -6.911   8.013 -10.994
  183    H    LYS  25           H        LYS  25  -9.542   5.489  -9.437
  184    HA   LYS  25           HA       LYS  25  -7.360   3.862  -8.652
  185   1HB   LYS  25          HB2       LYS  25 -10.358   3.597  -8.241
  186   2HB   LYS  25          HB3       LYS  25  -9.214   2.438  -7.550
  187   1HG   LYS  25          HG2       LYS  25  -8.116   4.108  -6.229
  188   2HG   LYS  25          HG3       LYS  25  -8.946   5.428  -7.063
  189   1HD   LYS  25          HD2       LYS  25 -11.125   4.618  -6.184
  190   2HD   LYS  25          HD3       LYS  25 -10.276   3.346  -5.269
  191   1HE   LYS  25          HE2       LYS  25  -9.038   5.036  -3.991
  192   2HE   LYS  25          HE3       LYS  25  -9.662   6.319  -5.031
  193   1HZ   LYS  25          HZ1       LYS  25 -11.923   5.695  -4.209
  194   2HZ   LYS  25          HZ2       LYS  25 -11.193   4.764  -3.049
  195   3HZ   LYS  25          HZ3       LYS  25 -10.946   6.406  -3.128
  196    H    GLN  26           H        GLN  26  -9.833   3.267 -11.145
  197    HA   GLN  26           HA       GLN  26  -9.094   0.480 -11.538
  198   1HB   GLN  26          HB2       GLN  26 -10.337   2.372 -13.552
  199   2HB   GLN  26          HB3       GLN  26 -10.253   0.621 -13.640
  200   1HG   GLN  26          HG2       GLN  26 -11.736   0.495 -11.604
  201   2HG   GLN  26          HG3       GLN  26 -11.921   2.264 -11.692
  202   1HE2  GLN  26          HE22      GLN  26 -12.172   2.907 -14.246
  203   2HE2  GLN  26          HE21      GLN  26 -13.524   2.096 -15.019
  204    H    TYR  27           H        TYR  27  -8.502   3.480 -13.369
  205    HA   TYR  27           HA       TYR  27  -6.826   2.245 -15.289
  206   1HB   TYR  27          HB2       TYR  27  -7.111   5.177 -14.513
  207   2HB   TYR  27          HB3       TYR  27  -6.213   4.613 -15.912
  208    HD1  TYR  27           HD1      TYR  27  -9.335   5.884 -14.948
  209    HD2  TYR  27           HD2      TYR  27  -7.546   2.900 -17.502
  210    HE1  TYR  27           HE1      TYR  27 -11.334   5.930 -16.401
  211    HE2  TYR  27           HE2      TYR  27  -9.566   2.904 -18.930
  212    HH   TYR  27           HH       TYR  27 -12.385   5.036 -18.291
  213    H    LEU  28           H        LEU  28  -5.933   3.931 -12.286
  214    HA   LEU  28           HA       LEU  28  -3.103   3.954 -13.079
  215   1HB   LEU  28          HB2       LEU  28  -4.507   5.097 -10.636
  216   2HB   LEU  28          HB3       LEU  28  -2.851   5.378 -11.098
  217    HG   LEU  28           HG       LEU  28  -5.295   6.326 -12.614
  218   1HD1  LEU  28          HD11      LEU  28  -4.640   7.570 -10.560
  219   2HD1  LEU  28          HD12      LEU  28  -3.033   7.849 -11.257
  220   3HD1  LEU  28          HD13      LEU  28  -4.474   8.543 -12.035
  221   1HD2  LEU  28          HD21      LEU  28  -2.362   6.609 -13.394
  222   2HD2  LEU  28          HD22      LEU  28  -3.612   5.715 -14.289
  223   3HD2  LEU  28          HD23      LEU  28  -3.725   7.458 -14.150
  224    H    GLY  29           H        GLY  29  -5.087   2.376 -10.577
  225   1HA   GLY  29          HA1       GLY  29  -4.655   0.353  -9.548
  226   2HA   GLY  29          HA2       GLY  29  -3.063   0.288 -10.301
  227    H    ASP  30           H        ASP  30  -3.043  -0.587  -7.875
  228    HA   ASP  30           HA       ASP  30  -3.163   1.222  -5.714
  229   1HB   ASP  30          HB2       ASP  30  -3.541  -1.206  -5.559
  230   2HB   ASP  30          HB3       ASP  30  -1.832  -1.498  -5.918
  231    H    GLU  31           H        GLU  31  -0.536   0.713  -7.917
  232    HA   GLU  31           HA       GLU  31   1.618   1.478  -6.214
  233   1HB   GLU  31          HB2       GLU  31   2.930   1.911  -8.099
  234   2HB   GLU  31          HB3       GLU  31   1.994   0.427  -8.386
  235   1HG   GLU  31          HG2       GLU  31   0.353   1.753  -9.642
  236   2HG   GLU  31          HG3       GLU  31   1.294   3.208  -9.265
  237    H    TRP  32           H        TRP  32  -1.109   3.229  -7.177
  238    HA   TRP  32           HA       TRP  32   0.188   5.775  -6.347
  239   1HB   TRP  32          HB2       TRP  32  -2.427   5.442  -7.864
  240   2HB   TRP  32          HB3       TRP  32  -1.600   6.941  -7.505
  241    HD1  TRP  32           HD1      TRP  32  -0.975   3.768  -9.610
  242    HE1  TRP  32           HE1      TRP  32  -0.203   4.471 -11.940
  243    HE3  TRP  32           HE3      TRP  32  -0.622   8.817  -8.856
  244    HZ2  TRP  32           HZ2      TRP  32   0.395   6.879 -13.336
  245    HZ3  TRP  32           HZ3      TRP  32  -0.013  10.293 -10.731
  246    HH2  TRP  32           HH2      TRP  32   0.453   9.335 -13.001
  247    H    LYS  33           H        LYS  33  -1.288   7.131  -5.066
  248    HA   LYS  33           HA       LYS  33  -3.588   5.740  -3.798
  249   1HB   LYS  33          HB2       LYS  33  -1.575   7.641  -2.553
  250   2HB   LYS  33          HB3       LYS  33  -3.168   7.357  -1.847
  251   1HG   LYS  33          HG2       LYS  33  -1.167   5.145  -2.413
  252   2HG   LYS  33          HG3       LYS  33  -1.259   6.034  -0.893
  253   1HD   LYS  33          HD2       LYS  33  -2.441   4.153  -0.351
  254   2HD   LYS  33          HD3       LYS  33  -3.724   5.264  -0.770
  255   1HE   LYS  33          HE2       LYS  33  -4.206   3.048  -1.605
  256   2HE   LYS  33          HE3       LYS  33  -3.993   4.118  -2.985
  257   1HZ   LYS  33          HZ1       LYS  33  -2.030   3.073  -3.551
  258   2HZ   LYS  33          HZ2       LYS  33  -1.726   2.499  -2.021
  259   3HZ   LYS  33          HZ3       LYS  33  -2.859   1.806  -2.949
  260    H    VAL  34           H        VAL  34  -5.411   7.018  -3.598
  261    HA   VAL  34           HA       VAL  34  -5.420   9.329  -5.477
  262    HB   VAL  34           HB       VAL  34  -7.477   7.087  -5.422
  263   1HG1  VAL  34          HG11      VAL  34  -8.163   7.918  -7.518
  264   2HG1  VAL  34          HG12      VAL  34  -7.922   9.363  -6.516
  265   3HG1  VAL  34          HG13      VAL  34  -6.700   8.904  -7.719
  266   1HG2  VAL  34          HG21      VAL  34  -4.992   7.143  -7.184
  267   2HG2  VAL  34          HG22      VAL  34  -5.461   5.871  -6.025
  268   3HG2  VAL  34          HG23      VAL  34  -6.422   6.134  -7.480
  269    H    TYR  35           H        TYR  35  -6.244  11.026  -4.409
  270    HA   TYR  35           HA       TYR  35  -8.557  10.563  -2.612
  271   1HB   TYR  35          HB2       TYR  35  -6.823  12.769  -1.721
  272   2HB   TYR  35          HB3       TYR  35  -7.766  11.633  -0.804
  273    HD1  TYR  35           HD1      TYR  35  -6.750   9.233  -0.450
  274    HD2  TYR  35           HD2      TYR  35  -4.505  12.638  -1.853
  275    HE1  TYR  35           HE1      TYR  35  -4.650   8.185   0.359
  276    HE2  TYR  35           HE2      TYR  35  -2.435  11.657  -0.995
  277    HH   TYR  35           HH       TYR  35  -1.458   9.815   0.112
  278    H    SER  36           H        SER  36  -9.657  12.641  -2.114
  279    HA   SER  36           HA       SER  36  -9.733  14.488  -4.449
  280   1HB   SER  36          HB2       SER  36 -11.984  13.071  -2.935
  281   2HB   SER  36          HB3       SER  36 -12.210  14.301  -4.177
  282    HG   SER  36           HG       SER  36 -11.247  11.677  -4.355
  283    H    ALA  37           H        ALA  37 -10.032  16.605  -3.921
  284    HA   ALA  37           HA       ALA  37 -11.279  17.320  -1.352
  285   1HB   ALA  37          HB1       ALA  37  -8.710  18.594  -2.279
  286   2HB   ALA  37          HB2       ALA  37  -9.704  18.926  -0.829
  287   3HB   ALA  37          HB3       ALA  37  -8.876  17.383  -0.970
  288    H    GLY  38           H        GLY  38 -11.401  19.983  -1.592
  289   1HA   GLY  38          HA1       GLY  38 -11.766  20.961  -4.244
  290   2HA   GLY  38          HA2       GLY  38 -13.323  20.581  -3.492
  291    H    ILE  39           H        ILE  39 -13.021  23.088  -4.126
  292    HA   ILE  39           HA       ILE  39 -11.984  24.949  -2.238
  293    HB   ILE  39           HB       ILE  39 -14.344  24.882  -4.131
  294   1HG1  ILE  39          HG12      ILE  39 -13.238  26.649  -5.328
  295   2HG1  ILE  39          HG13      ILE  39 -12.055  26.859  -4.054
  296   1HG2  ILE  39          HG21      ILE  39 -15.258  26.234  -2.357
  297   2HG2  ILE  39          HG22      ILE  39 -13.770  27.213  -2.280
  298   3HG2  ILE  39          HG23      ILE  39 -14.827  27.271  -3.708
  299   1HD1  ILE  39          HD11      ILE  39 -12.274  24.477  -5.935
  300   2HD1  ILE  39          HD12      ILE  39 -11.076  25.763  -5.997
  301   3HD1  ILE  39          HD13      ILE  39 -11.047  24.647  -4.641
  302    H    GLU  40           H        GLU  40 -14.980  22.995  -2.313
  303    HA   GLU  40           HA       GLU  40 -15.007  23.029   0.609
  304   1HB   GLU  40          HB2       GLU  40 -17.345  23.600   0.814
  305   2HB   GLU  40          HB3       GLU  40 -16.475  24.913   0.037
  306   1HG   GLU  40          HG2       GLU  40 -17.329  24.196  -2.181
  307   2HG   GLU  40          HG3       GLU  40 -18.181  22.841  -1.435
  308    H    ALA  41           H        ALA  41 -16.983  21.524   1.252
  309    HA   ALA  41           HA       ALA  41 -17.598  19.348  -0.615
  310   1HB   ALA  41          HB1       ALA  41 -15.572  18.527   0.545
  311   2HB   ALA  41          HB2       ALA  41 -16.291  18.931   2.120
  312   3HB   ALA  41          HB3       ALA  41 -17.017  17.663   1.118
  313    H    HIS  42           H        HIS  42 -19.587  18.376   0.063
  314    HA   HIS  42           HA       HIS  42 -20.896  19.501   2.493
  315   1HB   HIS  42          HB2       HIS  42 -23.012  19.674   1.335
  316   2HB   HIS  42          HB3       HIS  42 -21.800  20.706   0.602
  317    HD1  HIS  42           HD1      HIS  42 -23.413  17.229  -0.161
  318    HD2  HIS  42           HD2      HIS  42 -21.766  20.643  -1.988
  319    HE1  HIS  42           HE1      HIS  42 -23.761  16.939  -2.656
  320    H    GLY  43           H        GLY  43 -20.067  16.717   0.602
  321   1HA   GLY  43          HA1       GLY  43 -20.208  14.885   2.576
  322   2HA   GLY  43          HA2       GLY  43 -21.863  14.865   1.925
  323    H    LEU  44           H        LEU  44 -20.886  12.559   1.425
  324    HA   LEU  44           HA       LEU  44 -19.521  12.535  -1.225
  325   1HB   LEU  44          HB2       LEU  44 -18.789  10.804   0.284
  326   2HB   LEU  44          HB3       LEU  44 -20.458  10.337   0.664
  327    HG   LEU  44           HG       LEU  44 -20.835   9.459  -1.505
  328   1HD1  LEU  44          HD11      LEU  44 -18.089  10.506  -2.272
  329   2HD1  LEU  44          HD12      LEU  44 -19.019   9.349  -3.243
  330   3HD1  LEU  44          HD13      LEU  44 -19.638  10.981  -3.004
  331   1HD2  LEU  44          HD21      LEU  44 -18.071   8.605  -0.591
  332   2HD2  LEU  44          HD22      LEU  44 -19.586   8.064   0.152
  333   3HD2  LEU  44          HD23      LEU  44 -19.213   7.636  -1.529
  334    H    ASN  45           H        ASN  45 -20.953  13.215  -2.803
  335    HA   ASN  45           HA       ASN  45 -23.710  13.469  -2.286
  336   1HB   ASN  45          HB2       ASN  45 -22.318  14.768  -3.932
  337   2HB   ASN  45          HB3       ASN  45 -22.417  13.402  -5.043
  338   1HD2  ASN  45          HD22      ASN  45 -23.574  16.266  -5.038
  339   2HD2  ASN  45          HD21      ASN  45 -25.295  16.050  -5.267
  340    HA   PRO  46           HA       PRO  46 -25.044   9.191  -3.071
  341   1HB   PRO  46          HB2       PRO  46 -27.642  10.630  -3.643
  342   2HB   PRO  46          HB3       PRO  46 -27.370   9.121  -2.714
  343   1HG   PRO  46          HG2       PRO  46 -27.755  11.469  -1.416
  344   2HG   PRO  46          HG3       PRO  46 -26.474  10.341  -0.861
  345   1HD   PRO  46          HD2       PRO  46 -26.180  12.824  -2.566
  346   2HD   PRO  46          HD3       PRO  46 -25.174  12.263  -1.195
  347    H    ASN  47           H        ASN  47 -25.728  11.925  -5.327
  348    HA   ASN  47           HA       ASN  47 -26.357  10.270  -7.576
  349   1HB   ASN  47          HB2       ASN  47 -26.638  12.165  -8.681
  350   2HB   ASN  47          HB3       ASN  47 -26.399  13.013  -7.172
  351   1HD2  ASN  47          HD22      ASN  47 -25.385  12.806 -10.412
  352   2HD2  ASN  47          HD21      ASN  47 -23.817  13.562 -10.244
  353    H    ALA  48           H        ALA  48 -23.247  11.398  -6.210
  354    HA   ALA  48           HA       ALA  48 -21.673  10.495  -8.449
  355   1HB   ALA  48          HB1       ALA  48 -19.768  10.827  -6.909
  356   2HB   ALA  48          HB2       ALA  48 -20.871  12.219  -6.880
  357   3HB   ALA  48          HB3       ALA  48 -20.869  11.041  -5.547
  358    H    VAL  49           H        VAL  49 -22.667   9.112  -5.281
  359    HA   VAL  49           HA       VAL  49 -21.180   6.704  -5.523
  360    HB   VAL  49           HB       VAL  49 -23.817   7.094  -4.056
  361   1HG1  VAL  49          HG11      VAL  49 -23.231   4.709  -4.352
  362   2HG1  VAL  49          HG12      VAL  49 -21.583   5.023  -3.774
  363   3HG1  VAL  49          HG13      VAL  49 -22.973   5.194  -2.673
  364   1HG2  VAL  49          HG21      VAL  49 -22.155   8.716  -3.245
  365   2HG2  VAL  49          HG22      VAL  49 -22.345   7.434  -2.054
  366   3HG2  VAL  49          HG23      VAL  49 -20.930   7.445  -3.129
  367    H    LYS  50           H        LYS  50 -24.625   7.417  -6.466
  368    HA   LYS  50           HA       LYS  50 -24.946   4.799  -7.513
  369   1HB   LYS  50          HB2       LYS  50 -26.784   6.461  -6.869
  370   2HB   LYS  50          HB3       LYS  50 -26.534   7.216  -8.456
  371   1HG   LYS  50          HG2       LYS  50 -26.977   4.976  -9.528
  372   2HG   LYS  50          HG3       LYS  50 -27.240   4.283  -7.921
  373   1HD   LYS  50          HD2       LYS  50 -29.151   5.828  -7.573
  374   2HD   LYS  50          HD3       LYS  50 -28.885   6.507  -9.193
  375   1HE   LYS  50          HE2       LYS  50 -29.263   4.270 -10.199
  376   2HE   LYS  50          HE3       LYS  50 -29.526   3.586  -8.589
  377   1HZ   LYS  50          HZ1       LYS  50 -31.464   5.030  -8.365
  378   2HZ   LYS  50          HZ2       LYS  50 -31.225   5.660  -9.855
  379   3HZ   LYS  50          HZ3       LYS  50 -31.613   4.087  -9.682
  380    H    ALA  51           H        ALA  51 -23.959   7.863  -9.166
  381    HA   ALA  51           HA       ALA  51 -24.007   6.883 -11.784
  382   1HB   ALA  51          HB1       ALA  51 -22.035   8.866 -10.541
  383   2HB   ALA  51          HB2       ALA  51 -22.318   8.651 -12.278
  384   3HB   ALA  51          HB3       ALA  51 -23.624   9.271 -11.244
  385    H    MET  52           H        MET  52 -21.308   6.697  -9.384
  386    HA   MET  52           HA       MET  52 -19.600   5.264 -11.220
  387   1HB   MET  52          HB2       MET  52 -19.541   5.751  -8.220
  388   2HB   MET  52          HB3       MET  52 -18.233   5.008  -9.140
  389   1HG   MET  52          HG2       MET  52 -19.298   7.838  -9.435
  390   2HG   MET  52          HG3       MET  52 -17.731   7.351  -8.807
  391   1HE   MET  52          HE1       MET  52 -16.715   5.215 -10.625
  392   2HE   MET  52          HE2       MET  52 -15.890   6.005 -11.958
  393   3HE   MET  52          HE3       MET  52 -15.663   6.610 -10.305
  394    H    LYS  53           H        LYS  53 -21.824   4.296  -8.556
  395    HA   LYS  53           HA       LYS  53 -20.983   1.600  -8.474
  396   1HB   LYS  53          HB2       LYS  53 -22.258   2.785  -6.703
  397   2HB   LYS  53          HB3       LYS  53 -23.702   2.758  -7.733
  398   1HG   LYS  53          HG2       LYS  53 -23.708   0.287  -7.657
  399   2HG   LYS  53          HG3       LYS  53 -22.203   0.302  -6.709
  400   1HD   LYS  53          HD2       LYS  53 -23.361   1.577  -4.913
  401   2HD   LYS  53          HD3       LYS  53 -24.870   1.520  -5.829
  402   1HE   LYS  53          HE2       LYS  53 -23.313  -0.914  -4.819
  403   2HE   LYS  53          HE3       LYS  53 -24.684  -0.182  -3.984
  404   1HZ   LYS  53          HZ1       LYS  53 -25.389  -2.069  -5.275
  405   2HZ   LYS  53          HZ2       LYS  53 -26.073  -0.731  -5.897
  406   3HZ   LYS  53          HZ3       LYS  53 -24.811  -1.445  -6.661
  407    H    GLU  54           H        GLU  54 -23.420   3.208 -10.510
  408    HA   GLU  54           HA       GLU  54 -24.444   0.860 -11.737
  409   1HB   GLU  54          HB2       GLU  54 -24.303   3.785 -12.548
  410   2HB   GLU  54          HB3       GLU  54 -25.013   2.583 -13.622
  411   1HG   GLU  54          HG2       GLU  54 -25.932   3.009 -10.752
  412   2HG   GLU  54          HG3       GLU  54 -26.640   3.821 -12.143
  413    H    VAL  55           H        VAL  55 -21.347   2.441 -12.166
  414    HA   VAL  55           HA       VAL  55 -20.784   0.969 -14.669
  415    HB   VAL  55           HB       VAL  55 -19.112   2.924 -13.028
  416   1HG1  VAL  55          HG11      VAL  55 -18.572   1.783 -15.799
  417   2HG1  VAL  55          HG12      VAL  55 -17.699   3.140 -15.052
  418   3HG1  VAL  55          HG13      VAL  55 -17.584   1.543 -14.339
  419   1HG2  VAL  55          HG21      VAL  55 -19.583   4.493 -14.876
  420   2HG2  VAL  55          HG22      VAL  55 -20.655   3.297 -15.636
  421   3HG2  VAL  55          HG23      VAL  55 -21.080   4.023 -14.078
  422    H    GLY  56           H        GLY  56 -20.846   0.271 -11.354
  423   1HA   GLY  56          HA1       GLY  56 -20.204  -1.714 -10.357
  424   2HA   GLY  56          HA2       GLY  56 -19.051  -2.048 -11.656
  425    H    ILE  57           H        ILE  57 -19.060   1.165 -10.178
  426    HA   ILE  57           HA       ILE  57 -16.507   0.541  -8.765
  427    HB   ILE  57           HB       ILE  57 -17.347   3.105 -10.158
  428   1HG1  ILE  57          HG12      ILE  57 -15.302   1.016 -11.029
  429   2HG1  ILE  57          HG13      ILE  57 -16.858   1.334 -11.803
  430   1HG2  ILE  57          HG21      ILE  57 -15.854   3.391  -8.143
  431   2HG2  ILE  57          HG22      ILE  57 -14.671   2.306  -8.898
  432   3HG2  ILE  57          HG23      ILE  57 -15.063   3.871  -9.634
  433   1HD1  ILE  57          HD11      ILE  57 -15.267   2.432 -13.132
  434   2HD1  ILE  57          HD12      ILE  57 -16.098   3.696 -12.236
  435   3HD1  ILE  57          HD13      ILE  57 -14.456   3.179 -11.741
  436    H    ASP  58           H        ASP  58 -17.414   0.122  -6.808
  437    HA   ASP  58           HA       ASP  58 -19.567   1.773  -5.714
  438   1HB   ASP  58          HB2       ASP  58 -19.611  -0.576  -5.216
  439   2HB   ASP  58          HB3       ASP  58 -17.982  -0.520  -4.524
  440    H    ILE  59           H        ILE  59 -18.557   3.851  -5.745
  441    HA   ILE  59           HA       ILE  59 -16.252   4.368  -4.071
  442    HB   ILE  59           HB       ILE  59 -16.518   6.648  -4.627
  443   1HG1  ILE  59          HG12      ILE  59 -19.151   6.137  -6.029
  444   2HG1  ILE  59          HG13      ILE  59 -19.059   6.720  -4.369
  445   1HG2  ILE  59          HG21      ILE  59 -17.193   5.081  -7.125
  446   2HG2  ILE  59          HG22      ILE  59 -16.310   6.616  -7.018
  447   3HG2  ILE  59          HG23      ILE  59 -15.590   5.144  -6.356
  448   1HD1  ILE  59          HD11      ILE  59 -17.662   8.652  -5.145
  449   2HD1  ILE  59          HD12      ILE  59 -18.040   8.190  -6.814
  450   3HD1  ILE  59          HD13      ILE  59 -19.341   8.648  -5.698
  451    H    SER  60           H        SER  60 -19.260   3.426  -2.971
  452    HA   SER  60           HA       SER  60 -20.021   5.551  -1.296
  453   1HB   SER  60          HB2       SER  60 -21.296   3.428  -1.971
  454   2HB   SER  60          HB3       SER  60 -20.441   2.619  -0.641
  455    HG   SER  60           HG       SER  60 -22.486   3.445  -0.024
  456    H    ASN  61           H        ASN  61 -17.395   3.253  -0.932
  457    HA   ASN  61           HA       ASN  61 -16.990   3.526   1.892
  458   1HB   ASN  61          HB2       ASN  61 -16.142   1.628   0.528
  459   2HB   ASN  61          HB3       ASN  61 -15.063   2.732  -0.329
  460   1HD2  ASN  61          HD22      ASN  61 -12.960   2.591   0.446
  461   2HD2  ASN  61          HD21      ASN  61 -12.530   2.276   2.105
  462    H    GLN  62           H        GLN  62 -16.366   5.738  -0.736
  463    HA   GLN  62           HA       GLN  62 -14.012   6.978   0.356
  464   1HB   GLN  62          HB2       GLN  62 -15.949   7.955  -1.777
  465   2HB   GLN  62          HB3       GLN  62 -14.379   8.669  -1.367
  466   1HG   GLN  62          HG2       GLN  62 -13.229   6.596  -1.986
  467   2HG   GLN  62          HG3       GLN  62 -14.762   5.853  -2.438
  468   1HE2  GLN  62          HE22      GLN  62 -14.909   9.141  -3.482
  469   2HE2  GLN  62          HE21      GLN  62 -14.466   8.799  -5.151
  470    H    THR  63           H        THR  63 -14.243   9.509   0.694
  471    HA   THR  63           HA       THR  63 -16.750  10.482   1.695
  472    HB   THR  63           HB       THR  63 -15.485  11.378   3.824
  473    HG1  THR  63           HG1      THR  63 -13.460  10.453   3.376
  474   1HG2  THR  63          HG21      THR  63 -16.391   9.665   5.190
  475   2HG2  THR  63          HG22      THR  63 -17.462   9.781   3.780
  476   3HG2  THR  63          HG23      THR  63 -16.290   8.453   3.900
  477    H    SER  64           H        SER  64 -16.574  12.900   2.089
  478    HA   SER  64           HA       SER  64 -14.605  14.055   0.204
  479   1HB   SER  64          HB2       SER  64 -17.287  15.100   1.177
  480   2HB   SER  64          HB3       SER  64 -16.280  15.794  -0.108
  481    HG   SER  64           HG       SER  64 -18.124  14.332  -0.654
  482    H    ASP  65           H        ASP  65 -13.721  16.108   0.705
  483    HA   ASP  65           HA       ASP  65 -13.716  17.249   3.391
  484   1HB   ASP  65          HB2       ASP  65 -11.964  15.343   3.356
  485   2HB   ASP  65          HB3       ASP  65 -11.119  16.291   2.118
  486    H    ILE  66           H        ILE  66 -12.378  19.335   3.308
  487    HA   ILE  66           HA       ILE  66 -12.459  20.503   0.584
  488    HB   ILE  66           HB       ILE  66 -12.621  22.584   1.558
  489   1HG1  ILE  66          HG12      ILE  66 -11.783  21.380   4.222
  490   2HG1  ILE  66          HG13      ILE  66 -10.882  22.542   3.226
  491   1HG2  ILE  66          HG21      ILE  66 -14.612  20.964   1.831
  492   2HG2  ILE  66          HG22      ILE  66 -14.225  20.927   3.550
  493   3HG2  ILE  66          HG23      ILE  66 -14.669  22.461   2.781
  494   1HD1  ILE  66          HD11      ILE  66 -13.446  23.018   4.762
  495   2HD1  ILE  66          HD12      ILE  66 -11.869  23.793   5.000
  496   3HD1  ILE  66          HD13      ILE  66 -12.828  24.151   3.536
  497    H    ILE  67           H        ILE  67 -10.527  21.944   0.081
  498    HA   ILE  67           HA       ILE  67  -8.369  20.240  -0.109
  499    HB   ILE  67           HB       ILE  67  -8.926  21.923  -1.711
  500   1HG1  ILE  67          HG12      ILE  67  -6.617  20.859  -1.489
  501   2HG1  ILE  67          HG13      ILE  67  -6.845  22.219  -2.572
  502   1HG2  ILE  67          HG21      ILE  67  -8.225  24.264  -1.542
  503   2HG2  ILE  67          HG22      ILE  67  -9.539  23.848  -0.429
  504   3HG2  ILE  67          HG23      ILE  67  -7.870  24.038   0.179
  505   1HD1  ILE  67          HD11      ILE  67  -5.781  23.758  -1.073
  506   2HD1  ILE  67          HD12      ILE  67  -5.627  22.539   0.186
  507   3HD1  ILE  67          HD13      ILE  67  -4.723  22.356  -1.327
  508    H    ASP  68           H        ASP  68  -6.571  19.779   0.801
  509    HA   ASP  68           HA       ASP  68  -5.665  21.268   3.214
  510   1HB   ASP  68          HB2       ASP  68  -6.583  19.145   3.947
  511   2HB   ASP  68          HB3       ASP  68  -5.649  18.272   2.722
  512    H    SER  69           H        SER  69  -4.058  22.464   2.274
  513    HA   SER  69           HA       SER  69  -2.719  21.777  -0.028
  514   1HB   SER  69          HB2       SER  69  -1.480  23.645   1.979
  515   2HB   SER  69          HB3       SER  69  -1.597  23.803   0.210
  516    HG   SER  69           HG       SER  69  -3.039  25.185   1.391
  517    H    ASP  70           H        ASP  70  -2.104  20.440   3.128
  518    HA   ASP  70           HA       ASP  70   0.699  19.918   2.786
  519   1HB   ASP  70          HB2       ASP  70  -0.352  19.784   4.991
  520   2HB   ASP  70          HB3       ASP  70  -1.401  18.474   4.428
  521    H    ILE  71           H        ILE  71  -2.292  18.167   1.864
  522    HA   ILE  71           HA       ILE  71  -0.819  15.832   0.914
  523    HB   ILE  71           HB       ILE  71  -3.680  16.751   0.422
  524   1HG1  ILE  71          HG12      ILE  71  -2.453  14.429   1.990
  525   2HG1  ILE  71          HG13      ILE  71  -3.062  15.927   2.715
  526   1HG2  ILE  71          HG21      ILE  71  -2.276  14.190  -0.498
  527   2HG2  ILE  71          HG22      ILE  71  -4.024  14.523  -0.638
  528   3HG2  ILE  71          HG23      ILE  71  -2.888  15.473  -1.563
  529   1HD1  ILE  71          HD11      ILE  71  -4.690  13.772   1.323
  530   2HD1  ILE  71          HD12      ILE  71  -4.745  14.265   3.021
  531   3HD1  ILE  71          HD13      ILE  71  -5.342  15.374   1.767
  532    H    LEU  72           H        LEU  72  -2.170  18.819  -0.554
  533    HA   LEU  72           HA       LEU  72  -1.510  18.329  -3.219
  534   1HB   LEU  72          HB2       LEU  72  -2.865  20.180  -2.437
  535   2HB   LEU  72          HB3       LEU  72  -1.525  20.877  -1.559
  536    HG   LEU  72           HG       LEU  72  -0.886  20.523  -4.390
  537   1HD1  LEU  72          HD11      LEU  72  -2.386  22.355  -5.195
  538   2HD1  LEU  72          HD12      LEU  72  -3.292  20.915  -4.688
  539   3HD1  LEU  72          HD13      LEU  72  -3.216  22.320  -3.624
  540   1HD2  LEU  72          HD21      LEU  72  -0.182  22.880  -4.167
  541   2HD2  LEU  72          HD22      LEU  72  -0.888  22.938  -2.542
  542   3HD2  LEU  72          HD23      LEU  72   0.485  21.870  -2.878
  543    H    ASN  73           H        ASN  73   0.602  19.727  -0.645
  544    HA   ASN  73           HA       ASN  73   2.871  20.040  -2.359
  545   1HB   ASN  73          HB2       ASN  73   2.439  20.033   0.654
  546   2HB   ASN  73          HB3       ASN  73   4.071  19.991   0.015
  547   1HD2  ASN  73          HD22      ASN  73   1.068  21.977  -0.044
  548   2HD2  ASN  73          HD21      ASN  73   1.901  23.460  -0.472
  549    H    ASN  74           H        ASN  74   1.560  17.128  -0.961
  550    HA   ASN  74           HA       ASN  74   4.192  15.717  -1.059
  551   1HB   ASN  74          HB2       ASN  74   1.452  15.010   0.078
  552   2HB   ASN  74          HB3       ASN  74   2.654  13.778  -0.235
  553   1HD2  ASN  74          HD22      ASN  74   1.728  16.308   1.922
  554   2HD2  ASN  74          HD21      ASN  74   2.985  16.017   3.106
  555    H    ALA  75           H        ALA  75   1.333  16.318  -2.975
  556    HA   ALA  75           HA       ALA  75   0.947  13.731  -3.943
  557   1HB   ALA  75          HB1       ALA  75  -0.515  14.754  -5.575
  558   2HB   ALA  75          HB2       ALA  75  -0.720  15.581  -4.027
  559   3HB   ALA  75          HB3       ALA  75   0.241  16.345  -5.322
  560    H    ASP  76           H        ASP  76   1.383  12.852  -6.186
  561    HA   ASP  76           HA       ASP  76   4.031  13.668  -7.220
  562   1HB   ASP  76          HB2       ASP  76   3.254  11.264  -7.383
  563   2HB   ASP  76          HB3       ASP  76   1.988  11.808  -8.505
  564    H    LEU  77           H        LEU  77   0.532  13.961  -7.898
  565    HA   LEU  77           HA       LEU  77   1.047  16.496  -9.172
  566   1HB   LEU  77          HB2       LEU  77  -0.017  16.172 -11.207
  567   2HB   LEU  77          HB3       LEU  77   1.123  14.832 -11.076
  568    HG   LEU  77           HG       LEU  77  -1.846  14.555 -10.485
  569   1HD1  LEU  77          HD11      LEU  77  -2.052  13.681 -12.769
  570   2HD1  LEU  77          HD12      LEU  77  -1.544  15.372 -12.775
  571   3HD1  LEU  77          HD13      LEU  77  -0.347  14.100 -13.087
  572   1HD2  LEU  77          HD21      LEU  77  -0.515  12.738  -9.556
  573   2HD2  LEU  77          HD22      LEU  77  -1.291  12.152 -11.031
  574   3HD2  LEU  77          HD23      LEU  77   0.426  12.599 -11.056
  575    H    VAL  78           H        VAL  78  -0.900  17.636  -9.700
  576    HA   VAL  78           HA       VAL  78  -3.296  16.924  -8.084
  577    HB   VAL  78           HB       VAL  78  -1.998  19.637  -8.657
  578   1HG1  VAL  78          HG11      VAL  78  -3.669  20.584  -7.096
  579   2HG1  VAL  78          HG12      VAL  78  -4.475  19.820  -8.461
  580   3HG1  VAL  78          HG13      VAL  78  -4.413  18.979  -6.896
  581   1HG2  VAL  78          HG21      VAL  78  -1.659  19.748  -6.195
  582   2HG2  VAL  78          HG22      VAL  78  -2.035  18.013  -6.090
  583   3HG2  VAL  78          HG23      VAL  78  -0.628  18.607  -7.022
  584    H    VAL  79           H        VAL  79  -5.268  17.292  -9.327
  585    HA   VAL  79           HA       VAL  79  -4.882  18.703 -11.871
  586    HB   VAL  79           HB       VAL  79  -6.197  17.316 -13.217
  587   1HG1  VAL  79          HG11      VAL  79  -3.747  16.784 -12.970
  588   2HG1  VAL  79          HG12      VAL  79  -4.191  15.444 -11.899
  589   3HG1  VAL  79          HG13      VAL  79  -4.741  15.460 -13.595
  590   1HG2  VAL  79          HG21      VAL  79  -6.968  15.070 -12.589
  591   2HG2  VAL  79          HG22      VAL  79  -6.530  15.401 -10.892
  592   3HG2  VAL  79          HG23      VAL  79  -7.796  16.356 -11.717
  593    H    THR  80           H        THR  80  -6.363  20.219 -12.191
  594    HA   THR  80           HA       THR  80  -8.491  20.442 -10.161
  595    HB   THR  80           HB       THR  80  -8.725  22.668 -10.762
  596    HG1  THR  80           HG1      THR  80  -8.838  22.963 -12.834
  597   1HG2  THR  80          HG21      THR  80  -6.480  22.153  -9.701
  598   2HG2  THR  80          HG22      THR  80  -5.756  22.197 -11.320
  599   3HG2  THR  80          HG23      THR  80  -6.507  23.644 -10.656
  600    H    LEU  81           H        LEU  81 -10.635  20.165 -10.747
  601    HA   LEU  81           HA       LEU  81 -11.069  18.786 -13.349
  602   1HB   LEU  81          HB2       LEU  81 -12.536  18.669 -10.704
  603   2HB   LEU  81          HB3       LEU  81 -13.020  17.790 -12.153
  604    HG   LEU  81           HG       LEU  81 -10.358  17.441 -10.679
  605   1HD1  LEU  81          HD11      LEU  81 -12.209  16.654  -9.341
  606   2HD1  LEU  81          HD12      LEU  81 -12.869  15.730 -10.718
  607   3HD1  LEU  81          HD13      LEU  81 -11.319  15.271  -9.988
  608   1HD2  LEU  81          HD21      LEU  81 -10.037  16.863 -13.000
  609   2HD2  LEU  81          HD22      LEU  81 -10.201  15.356 -12.103
  610   3HD2  LEU  81          HD23      LEU  81 -11.571  15.960 -13.047
  611    H    CYS  82           H        CYS  82 -11.466  21.878 -12.191
  612    HA   CYS  82           HA       CYS  82 -13.192  22.404 -14.376
  613   1HB   CYS  82          HB2       CYS  82 -14.969  23.584 -13.240
  614   2HB   CYS  82          HB3       CYS  82 -14.882  21.925 -12.611
  615    HG   CYS  82           HG       CYS  82 -13.510  22.423 -10.535
  616    H    GLY  83           H        GLY  83 -13.084  24.748 -14.899
  617   1HA   GLY  83          HA1       GLY  83 -10.396  25.604 -14.606
  618   2HA   GLY  83          HA2       GLY  83 -11.723  26.529 -15.335
  619    H    ASP  84           H        ASP  84 -13.430  26.696 -13.007
  620    HA   ASP  84           HA       ASP  84 -12.306  29.041 -11.862
  621   1HB   ASP  84          HB2       ASP  84 -14.733  28.631 -12.136
  622   2HB   ASP  84          HB3       ASP  84 -14.663  27.399 -10.871
  623    H    ALA  85           H        ALA  85 -12.265  25.658 -10.745
  624    HA   ALA  85           HA       ALA  85 -11.549  26.208  -8.036
  625   1HB   ALA  85          HB1       ALA  85 -12.289  23.967  -8.722
  626   2HB   ALA  85          HB2       ALA  85 -10.872  23.790  -9.784
  627   3HB   ALA  85          HB3       ALA  85 -10.661  23.868  -8.025
  628    H    ALA  86           H        ALA  86  -9.671  26.085 -11.035
  629    HA   ALA  86           HA       ALA  86  -7.166  25.504  -9.938
  630   1HB   ALA  86          HB1       ALA  86  -6.294  26.254 -12.091
  631   2HB   ALA  86          HB2       ALA  86  -7.830  25.383 -12.349
  632   3HB   ALA  86          HB3       ALA  86  -7.780  27.165 -12.409
  633    H    ASP  87           H        ASP  87  -8.860  28.552 -10.001
  634    HA   ASP  87           HA       ASP  87  -6.679  30.332  -9.545
  635   1HB   ASP  87          HB2       ASP  87  -8.956  31.065 -10.189
  636   2HB   ASP  87          HB3       ASP  87  -9.580  30.472  -8.639
  637    H    LYS  88           H        LYS  88  -8.651  28.309  -7.418
  638    HA   LYS  88           HA       LYS  88  -7.492  29.439  -4.930
  639   1HB   LYS  88          HB2       LYS  88  -9.844  28.873  -4.838
  640   2HB   LYS  88          HB3       LYS  88  -9.550  27.295  -5.563
  641   1HG   LYS  88          HG2       LYS  88 -10.059  27.027  -3.253
  642   2HG   LYS  88          HG3       LYS  88  -8.405  26.528  -3.537
  643   1HD   LYS  88          HD2       LYS  88  -7.598  28.681  -2.565
  644   2HD   LYS  88          HD3       LYS  88  -9.286  29.214  -2.367
  645   1HE   LYS  88          HE2       LYS  88  -9.744  27.254  -0.940
  646   2HE   LYS  88          HE3       LYS  88  -8.085  26.688  -1.142
  647   1HZ   LYS  88          HZ1       LYS  88  -7.334  28.708   0.005
  648   2HZ   LYS  88          HZ2       LYS  88  -8.874  29.223   0.193
  649   3HZ   LYS  88          HZ3       LYS  88  -8.365  27.877   0.953
  650    H    CYS  89           H        CYS  89  -7.293  26.512  -6.917
  651    HA   CYS  89           HA       CYS  89  -6.081  24.736  -5.235
  652   1HB   CYS  89          HB2       CYS  89  -5.528  25.182  -8.181
  653   2HB   CYS  89          HB3       CYS  89  -4.995  23.757  -7.270
  654    HG   CYS  89           HG       CYS  89  -8.122  24.893  -7.426
  655    HA   PRO  90           HA       PRO  90  -2.666  27.403  -4.207
  656   1HB   PRO  90          HB2       PRO  90  -1.527  25.970  -2.133
  657   2HB   PRO  90          HB3       PRO  90  -2.945  27.067  -2.058
  658   1HG   PRO  90          HG2       PRO  90  -2.923  24.067  -2.182
  659   2HG   PRO  90          HG3       PRO  90  -4.016  25.154  -1.272
  660   1HD   PRO  90          HD2       PRO  90  -4.710  23.976  -3.657
  661   2HD   PRO  90          HD3       PRO  90  -5.355  25.537  -3.096
  662    H    MET  91           H        MET  91  -0.262  27.377  -3.964
  663    HA   MET  91           HA       MET  91   0.733  26.533  -6.460
  664   1HB   MET  91          HB2       MET  91   2.185  27.615  -4.011
  665   2HB   MET  91          HB3       MET  91   2.925  27.394  -5.604
  666   1HG   MET  91          HG2       MET  91   1.225  28.901  -6.601
  667   2HG   MET  91          HG3       MET  91   0.548  29.202  -5.003
  668   1HE   MET  91          HE1       MET  91   1.660  30.631  -3.130
  669   2HE   MET  91          HE2       MET  91   3.085  29.565  -3.080
  670   3HE   MET  91          HE3       MET  91   3.295  31.320  -3.221
  671    H    THR  92           H        THR  92   1.162  24.492  -7.027
  672    HA   THR  92           HA       THR  92   2.092  22.436  -5.235
  673    HB   THR  92           HB       THR  92   2.292  21.271  -7.573
  674    HG1  THR  92           HG1      THR  92   2.370  23.212  -8.814
  675   1HG2  THR  92          HG21      THR  92   0.419  20.936  -6.111
  676   2HG2  THR  92          HG22      THR  92  -0.371  22.419  -6.705
  677   3HG2  THR  92          HG23      THR  92  -0.097  21.039  -7.798
  678    HA   PRO  93           HA       PRO  93   6.343  23.986  -5.758
  679   1HB   PRO  93          HB2       PRO  93   7.707  22.182  -4.210
  680   2HB   PRO  93          HB3       PRO  93   6.676  23.469  -3.517
  681   1HG   PRO  93          HG2       PRO  93   5.969  20.574  -4.025
  682   2HG   PRO  93          HG3       PRO  93   5.714  21.517  -2.535
  683   1HD   PRO  93          HD2       PRO  93   3.727  21.164  -4.395
  684   2HD   PRO  93          HD3       PRO  93   3.881  22.688  -3.473
  685    HA   PRO  94           HA       PRO  94   8.052  21.721  -9.112
  686   1HB   PRO  94          HB2       PRO  94  10.614  21.303  -7.555
  687   2HB   PRO  94          HB3       PRO  94  10.406  21.837  -9.254
  688   1HG   PRO  94          HG2       PRO  94  10.894  23.664  -7.322
  689   2HG   PRO  94          HG3       PRO  94   9.632  23.993  -8.554
  690   1HD   PRO  94          HD2       PRO  94   9.283  23.023  -5.715
  691   2HD   PRO  94          HD3       PRO  94   8.342  24.245  -6.620
  692    H    HIS  95           H        HIS  95   8.273  20.018  -6.022
  693    HA   HIS  95           HA       HIS  95   8.889  17.408  -7.038
  694   1HB   HIS  95          HB2       HIS  95   7.336  18.156  -4.528
  695   2HB   HIS  95          HB3       HIS  95   8.203  16.654  -4.831
  696    HD1  HIS  95           HD1      HIS  95   8.713  19.555  -2.813
  697    HD2  HIS  95           HD2      HIS  95  11.062  17.419  -5.581
  698    HE1  HIS  95           HE1      HIS  95  11.133  20.155  -2.309
  699    H    VAL  96           H        VAL  96   6.148  19.290  -7.614
  700    HA   VAL  96           HA       VAL  96   4.267  17.006  -7.939
  701    HB   VAL  96           HB       VAL  96   3.615  19.797  -6.890
  702   1HG1  VAL  96          HG11      VAL  96   1.686  18.693  -7.863
  703   2HG1  VAL  96          HG12      VAL  96   2.029  17.206  -6.951
  704   3HG1  VAL  96          HG13      VAL  96   1.528  18.683  -6.111
  705   1HG2  VAL  96          HG21      VAL  96   4.978  19.013  -5.176
  706   2HG2  VAL  96          HG22      VAL  96   3.322  18.760  -4.635
  707   3HG2  VAL  96          HG23      VAL  96   4.300  17.398  -5.213
  708    H    LYS  97           H        LYS  97   2.725  17.445  -9.736
  709    HA   LYS  97           HA       LYS  97   3.250  19.921 -11.274
  710   1HB   LYS  97          HB2       LYS  97   3.210  18.941 -13.386
  711   2HB   LYS  97          HB3       LYS  97   4.463  18.145 -12.477
  712   1HG   LYS  97          HG2       LYS  97   1.748  16.803 -12.638
  713   2HG   LYS  97          HG3       LYS  97   2.736  16.885 -14.089
  714   1HD   LYS  97          HD2       LYS  97   4.630  15.817 -12.877
  715   2HD   LYS  97          HD3       LYS  97   3.575  15.598 -11.471
  716   1HE   LYS  97          HE2       LYS  97   2.061  14.173 -12.757
  717   2HE   LYS  97          HE3       LYS  97   2.941  14.534 -14.255
  718   1HZ   LYS  97          HZ1       LYS  97   4.884  13.407 -13.179
  719   2HZ   LYS  97          HZ2       LYS  97   3.881  12.928 -11.955
  720   3HZ   LYS  97          HZ3       LYS  97   3.619  12.422 -13.478
  721    H    ARG  98           H        ARG  98   1.413  20.130 -13.025
  722    HA   ARG  98           HA       ARG  98  -1.172  19.781 -11.603
  723   1HB   ARG  98          HB2       ARG  98   0.122  22.261 -12.783
  724   2HB   ARG  98          HB3       ARG  98  -1.624  22.146 -12.640
  725   1HG   ARG  98          HG2       ARG  98   0.057  21.581 -10.204
  726   2HG   ARG  98          HG3       ARG  98  -0.151  23.254 -10.723
  727   1HD   ARG  98          HD2       ARG  98  -2.507  21.389 -10.249
  728   2HD   ARG  98          HD3       ARG  98  -1.800  22.380  -8.977
  729    HE   ARG  98           HE       ARG  98  -3.120  23.390 -11.472
  730   1HH1  ARG  98          HH21      ARG  98  -2.007  24.118  -8.156
  731   2HH1  ARG  98          HH22      ARG  98  -2.894  25.592  -8.047
  732   1HH2  ARG  98          HH11      ARG  98  -4.088  25.357 -11.410
  733   2HH2  ARG  98          HH12      ARG  98  -4.148  26.338  -9.969
  734    H    GLU  99           H        GLU  99  -2.999  19.803 -12.962
  735    HA   GLU  99           HA       GLU  99  -2.771  20.087 -15.826
  736   1HB   GLU  99          HB2       GLU  99  -2.697  17.459 -14.762
  737   2HB   GLU  99          HB3       GLU  99  -4.381  17.687 -15.239
  738   1HG   GLU  99          HG2       GLU  99  -1.949  18.134 -17.033
  739   2HG   GLU  99          HG3       GLU  99  -2.866  16.633 -16.930
  740    H    HIS 100           H        HIS 100  -5.110  20.275 -16.641
  741    HA   HIS 100           HA       HIS 100  -6.962  21.237 -14.519
  742   1HB   HIS 100          HB2       HIS 100  -5.962  23.032 -16.772
  743   2HB   HIS 100          HB3       HIS 100  -7.098  23.452 -15.497
  744    HD1  HIS 100           HD1      HIS 100  -3.355  23.217 -16.170
  745    HD2  HIS 100           HD2      HIS 100  -6.044  23.993 -13.042
  746    HE1  HIS 100           HE1      HIS 100  -1.987  24.235 -14.281
  747    H    TRP 101           H        TRP 101  -8.814  20.237 -15.043
  748    HA   TRP 101           HA       TRP 101  -9.664  20.096 -17.906
  749   1HB   TRP 101          HB2       TRP 101 -10.517  18.284 -15.640
  750   2HB   TRP 101          HB3       TRP 101 -10.915  18.144 -17.353
  751    HD1  TRP 101           HD1      TRP 101  -7.804  18.681 -18.319
  752    HE1  TRP 101           HE1      TRP 101  -6.048  16.891 -18.050
  753    HE3  TRP 101           HE3      TRP 101 -10.308  15.619 -15.065
  754    HZ2  TRP 101           HZ2      TRP 101  -5.690  14.455 -16.520
  755    HZ3  TRP 101           HZ3      TRP 101  -9.228  13.551 -14.228
  756    HH2  TRP 101           HH2      TRP 101  -6.906  12.978 -14.924
  757    H    GLY 102           H        GLY 102 -12.278  19.895 -17.870
  758   1HA   GLY 102          HA1       GLY 102 -13.267  22.296 -16.371
  759   2HA   GLY 102          HA2       GLY 102 -13.327  22.184 -18.111
  760    H    PHE 103           H        PHE 103 -14.696  20.900 -15.083
  761    HA   PHE 103           HA       PHE 103 -17.034  19.961 -16.655
  762   1HB   PHE 103          HB2       PHE 103 -15.721  18.636 -14.252
  763   2HB   PHE 103          HB3       PHE 103 -17.268  18.161 -14.947
  764    HD1  PHE 103           HD1      PHE 103 -17.390  17.408 -17.356
  765    HD2  PHE 103           HD2      PHE 103 -13.637  17.915 -15.293
  766    HE1  PHE 103           HE1      PHE 103 -16.251  16.138 -19.127
  767    HE2  PHE 103           HE2      PHE 103 -12.491  16.614 -17.067
  768    HZ   PHE 103           HZ       PHE 103 -13.787  15.718 -18.989
  769    H    ASP 104           H        ASP 104 -18.895  20.774 -16.117
  770    HA   ASP 104           HA       ASP 104 -19.285  22.483 -13.768
  771   1HB   ASP 104          HB2       ASP 104 -20.416  22.941 -15.944
  772   2HB   ASP 104          HB3       ASP 104 -21.209  21.360 -15.835
  773    H    ASP 105           H        ASP 105 -20.937  21.896 -12.124
  774    HA   ASP 105           HA       ASP 105 -20.279  19.250 -11.198
  775   1HB   ASP 105          HB2       ASP 105 -20.544  21.360  -9.789
  776   2HB   ASP 105          HB3       ASP 105 -22.281  21.089  -9.904
  777    HA   PRO 106           HA       PRO 106 -23.696  17.523 -13.335
  778   1HB   PRO 106          HB2       PRO 106 -23.577  14.876 -12.502
  779   2HB   PRO 106          HB3       PRO 106 -22.443  15.608 -13.673
  780   1HG   PRO 106          HG2       PRO 106 -22.067  15.189 -10.699
  781   2HG   PRO 106          HG3       PRO 106 -20.910  14.854 -12.028
  782   1HD   PRO 106          HD2       PRO 106 -20.786  17.132 -10.534
  783   2HD   PRO 106          HD3       PRO 106 -20.401  17.140 -12.284
  784    H    ALA 107           H        ALA 107 -23.570  17.155  -9.805
  785    HA   ALA 107           HA       ALA 107 -26.057  15.866  -9.502
  786   1HB   ALA 107          HB1       ALA 107 -24.301  16.021  -7.763
  787   2HB   ALA 107          HB2       ALA 107 -24.660  17.746  -7.554
  788   3HB   ALA 107          HB3       ALA 107 -25.894  16.530  -7.164
  789    H    ARG 108           H        ARG 108 -25.433  19.190 -10.279
  790    HA   ARG 108           HA       ARG 108 -28.231  19.881  -9.649
  791   1HB   ARG 108          HB2       ARG 108 -27.518  22.250  -9.317
  792   2HB   ARG 108          HB3       ARG 108 -27.240  21.095  -8.047
  793   1HG   ARG 108          HG2       ARG 108 -25.031  21.829  -9.982
  794   2HG   ARG 108          HG3       ARG 108 -25.409  22.849  -8.594
  795   1HD   ARG 108          HD2       ARG 108 -24.691  19.908  -8.393
  796   2HD   ARG 108          HD3       ARG 108 -23.549  21.245  -8.178
  797    HE   ARG 108           HE       ARG 108 -25.713  21.614  -6.395
  798   1HH1  ARG 108          HH21      ARG 108 -22.909  19.431  -6.873
  799   2HH1  ARG 108          HH22      ARG 108 -22.710  19.161  -5.158
  800   1HH2  ARG 108          HH11      ARG 108 -25.429  21.117  -4.129
  801   2HH2  ARG 108          HH12      ARG 108 -24.147  20.048  -3.644
  802    H    ALA 109           H        ALA 109 -26.756  18.842 -12.166
  803    HA   ALA 109           HA       ALA 109 -27.136  20.781 -14.220
  804   1HB   ALA 109          HB1       ALA 109 -27.340  18.744 -15.650
  805   2HB   ALA 109          HB2       ALA 109 -25.944  18.613 -14.550
  806   3HB   ALA 109          HB3       ALA 109 -27.456  17.733 -14.200
  807    H    GLN 110           H        GLN 110 -29.083  21.136 -15.419
  808    HA   GLN 110           HA       GLN 110 -31.617  20.004 -14.343
  809   1HB   GLN 110          HB2       GLN 110 -30.754  22.925 -14.378
  810   2HB   GLN 110          HB3       GLN 110 -32.459  22.481 -14.398
  811   1HG   GLN 110          HG2       GLN 110 -32.408  21.538 -12.244
  812   2HG   GLN 110          HG3       GLN 110 -30.661  21.362 -12.233
  813   1HE2  GLN 110          HE22      GLN 110 -29.333  23.033 -11.580
  814   2HE2  GLN 110          HE21      GLN 110 -29.940  24.570 -10.985
  815    H    GLY 111           H        GLY 111 -33.401  20.355 -15.760
  816   1HA   GLY 111          HA1       GLY 111 -33.788  21.744 -18.014
  817   2HA   GLY 111          HA2       GLY 111 -32.782  20.408 -18.625
  818    H    THR 112           H        THR 112 -33.454  18.227 -17.377
  819    HA   THR 112           HA       THR 112 -36.256  17.908 -16.804
  820    HB   THR 112           HB       THR 112 -36.823  16.327 -18.383
  821    HG1  THR 112           HG1      THR 112 -35.359  15.089 -19.527
  822   1HG2  THR 112          HG21      THR 112 -36.375  18.377 -19.726
  823   2HG2  THR 112          HG22      THR 112 -34.713  17.772 -20.021
  824   3HG2  THR 112          HG23      THR 112 -36.117  16.883 -20.646
  825    H    GLU 113           H        GLU 113 -36.421  15.512 -15.853
  826    HA   GLU 113           HA       GLU 113 -34.235  15.219 -14.036
  827   1HB   GLU 113          HB2       GLU 113 -36.487  14.566 -13.376
  828   2HB   GLU 113          HB3       GLU 113 -36.591  13.396 -14.701
  829   1HG   GLU 113          HG2       GLU 113 -34.850  12.017 -13.707
  830   2HG   GLU 113          HG3       GLU 113 -34.546  13.222 -12.450
  831    H    GLU 114           H        GLU 114 -35.160  13.544 -17.041
  832    HA   GLU 114           HA       GLU 114 -33.011  11.649 -16.798
  833   1HB   GLU 114          HB2       GLU 114 -33.548  10.924 -19.049
  834   2HB   GLU 114          HB3       GLU 114 -34.966  10.977 -18.008
  835   1HG   GLU 114          HG2       GLU 114 -35.722  13.051 -19.063
  836   2HG   GLU 114          HG3       GLU 114 -34.260  13.114 -20.062
  837    H    GLU 115           H        GLU 115 -33.296  14.884 -18.208
  838    HA   GLU 115           HA       GLU 115 -30.823  14.809 -19.626
  839   1HB   GLU 115          HB2       GLU 115 -32.658  16.481 -19.970
  840   2HB   GLU 115          HB3       GLU 115 -32.221  17.214 -18.423
  841   1HG   GLU 115          HG2       GLU 115 -31.213  18.508 -20.166
  842   2HG   GLU 115          HG3       GLU 115 -29.922  17.662 -19.327
  843    H    LYS 116           H        LYS 116 -31.743  15.876 -16.297
  844    HA   LYS 116           HA       LYS 116 -29.183  16.571 -15.349
  845   1HB   LYS 116          HB2       LYS 116 -31.115  17.166 -14.083
  846   2HB   LYS 116          HB3       LYS 116 -31.699  15.508 -14.039
  847   1HG   LYS 116          HG2       LYS 116 -29.877  14.832 -12.573
  848   2HG   LYS 116          HG3       LYS 116 -29.203  16.469 -12.580
  849   1HD   LYS 116          HD2       LYS 116 -32.079  16.022 -11.742
  850   2HD   LYS 116          HD3       LYS 116 -30.771  15.542 -10.640
  851   1HE   LYS 116          HE2       LYS 116 -29.864  17.886 -10.803
  852   2HE   LYS 116          HE3       LYS 116 -31.299  18.325 -11.735
  853   1HZ   LYS 116          HZ1       LYS 116 -31.312  17.309  -8.948
  854   2HZ   LYS 116          HZ2       LYS 116 -31.593  18.847  -9.401
  855   3HZ   LYS 116          HZ3       LYS 116 -32.654  17.680  -9.809
  856    H    TRP 117           H        TRP 117 -30.844  13.385 -15.213
  857    HA   TRP 117           HA       TRP 117 -28.654  11.990 -14.053
  858   1HB   TRP 117          HB2       TRP 117 -30.876  10.988 -14.174
  859   2HB   TRP 117          HB3       TRP 117 -30.820  10.976 -15.937
  860    HD1  TRP 117           HD1      TRP 117 -29.342   9.120 -17.122
  861    HE1  TRP 117           HE1      TRP 117 -28.267   6.929 -16.336
  862    HE3  TRP 117           HE3      TRP 117 -29.586   9.864 -12.069
  863    HZ2  TRP 117           HZ2      TRP 117 -27.363   5.789 -13.874
  864    HZ3  TRP 117           HZ3      TRP 117 -28.448   8.293 -10.530
  865    HH2  TRP 117           HH2      TRP 117 -27.329   6.247 -11.417
  866    H    ALA 118           H        ALA 118 -29.487  12.533 -17.528
  867    HA   ALA 118           HA       ALA 118 -27.337  11.050 -18.587
  868   1HB   ALA 118          HB1       ALA 118 -29.232  11.791 -19.949
  869   2HB   ALA 118          HB2       ALA 118 -28.748  13.488 -19.747
  870   3HB   ALA 118          HB3       ALA 118 -27.704  12.361 -20.642
  871    H    PHE 119           H        PHE 119 -27.444  14.458 -17.404
  872    HA   PHE 119           HA       PHE 119 -24.821  15.151 -18.229
  873   1HB   PHE 119          HB2       PHE 119 -26.785  16.563 -17.183
  874   2HB   PHE 119          HB3       PHE 119 -26.001  16.171 -15.661
  875    HD1  PHE 119           HD1      PHE 119 -25.952  18.246 -18.642
  876    HD2  PHE 119           HD2      PHE 119 -23.540  16.859 -15.352
  877    HE1  PHE 119           HE1      PHE 119 -24.400  20.152 -18.971
  878    HE2  PHE 119           HE2      PHE 119 -22.041  18.824 -15.612
  879    HZ   PHE 119           HZ       PHE 119 -22.449  20.447 -17.468
  880    H    PHE 120           H        PHE 120 -25.957  13.351 -15.306
  881    HA   PHE 120           HA       PHE 120 -23.414  13.124 -14.034
  882   1HB   PHE 120          HB2       PHE 120 -25.384  10.839 -14.131
  883   2HB   PHE 120          HB3       PHE 120 -24.171  11.187 -12.941
  884    HD1  PHE 120           HD1      PHE 120 -25.664  14.365 -13.148
  885    HD2  PHE 120           HD2      PHE 120 -26.560  10.303 -11.975
  886    HE1  PHE 120           HE1      PHE 120 -27.409  15.178 -11.630
  887    HE2  PHE 120           HE2      PHE 120 -28.328  11.147 -10.460
  888    HZ   PHE 120           HZ       PHE 120 -28.761  13.589 -10.284
  889    H    GLN 121           H        GLN 121 -25.051  11.145 -16.574
  890    HA   GLN 121           HA       GLN 121 -22.982   9.255 -16.879
  891   1HB   GLN 121          HB2       GLN 121 -24.926  10.059 -19.054
  892   2HB   GLN 121          HB3       GLN 121 -24.000   8.574 -18.934
  893   1HG   GLN 121          HG2       GLN 121 -26.300   9.437 -17.145
  894   2HG   GLN 121          HG3       GLN 121 -26.281   8.121 -18.297
  895   1HE2  GLN 121          HE22      GLN 121 -25.770   8.936 -14.993
  896   2HE2  GLN 121          HE21      GLN 121 -25.023   7.433 -14.502
  897    H    ARG 122           H        ARG 122 -23.492  12.306 -18.700
  898    HA   ARG 122           HA       ARG 122 -21.250  11.982 -20.439
  899   1HB   ARG 122          HB2       ARG 122 -22.550  14.545 -19.394
  900   2HB   ARG 122          HB3       ARG 122 -21.138  14.549 -20.424
  901   1HG   ARG 122          HG2       ARG 122 -22.800  14.917 -21.928
  902   2HG   ARG 122          HG3       ARG 122 -22.460  13.192 -22.137
  903   1HD   ARG 122          HD2       ARG 122 -24.476  12.576 -21.008
  904   2HD   ARG 122          HD3       ARG 122 -24.599  14.166 -20.245
  905    HE   ARG 122           HE       ARG 122 -25.039  13.789 -23.167
  906   1HH1  ARG 122          HH21      ARG 122 -26.175  15.149 -20.039
  907   2HH1  ARG 122          HH22      ARG 122 -27.682  15.702 -20.747
  908   1HH2  ARG 122          HH11      ARG 122 -27.087  14.683 -23.975
  909   2HH2  ARG 122          HH12      ARG 122 -28.138  15.486 -22.825
  910    H    VAL 123           H        VAL 123 -21.459  13.655 -17.223
  911    HA   VAL 123           HA       VAL 123 -18.702  14.380 -17.365
  912    HB   VAL 123           HB       VAL 123 -20.620  14.256 -14.996
  913   1HG1  VAL 123          HG11      VAL 123 -17.831  15.494 -15.163
  914   2HG1  VAL 123          HG12      VAL 123 -18.998  15.783 -13.853
  915   3HG1  VAL 123          HG13      VAL 123 -18.335  14.164 -14.097
  916   1HG2  VAL 123          HG21      VAL 123 -19.573  16.586 -16.692
  917   2HG2  VAL 123          HG22      VAL 123 -21.214  15.925 -16.760
  918   3HG2  VAL 123          HG23      VAL 123 -20.653  16.736 -15.295
  919    H    ARG 124           H        ARG 124 -20.258  11.441 -15.779
  920    HA   ARG 124           HA       ARG 124 -17.717  10.597 -14.822
  921   1HB   ARG 124          HB2       ARG 124 -18.616   8.353 -14.563
  922   2HB   ARG 124          HB3       ARG 124 -19.795   9.524 -13.991
  923   1HG   ARG 124          HG2       ARG 124 -21.123   9.218 -15.989
  924   2HG   ARG 124          HG3       ARG 124 -19.908   8.173 -16.719
  925   1HD   ARG 124          HD2       ARG 124 -20.243   6.562 -14.806
  926   2HD   ARG 124          HD3       ARG 124 -21.598   7.557 -14.288
  927    HE   ARG 124           HE       ARG 124 -22.899   6.649 -15.922
  928   1HH1  ARG 124          HH21      ARG 124 -19.549   5.972 -16.966
  929   2HH1  ARG 124          HH22      ARG 124 -20.058   5.039 -18.324
  930   1HH2  ARG 124          HH11      ARG 124 -23.512   5.514 -17.684
  931   2HH2  ARG 124          HH12      ARG 124 -22.368   4.728 -18.734
  932    H    ASP 125           H        ASP 125 -19.295  10.016 -17.975
  933    HA   ASP 125           HA       ASP 125 -17.400   8.143 -18.914
  934   1HB   ASP 125          HB2       ASP 125 -19.531   8.487 -20.045
  935   2HB   ASP 125          HB3       ASP 125 -19.087  10.146 -20.463
  936    H    GLU 126           H        GLU 126 -17.485  11.743 -19.224
  937    HA   GLU 126           HA       GLU 126 -14.995  11.771 -20.631
  938   1HB   GLU 126          HB2       GLU 126 -16.661  13.941 -19.397
  939   2HB   GLU 126          HB3       GLU 126 -15.139  14.256 -20.247
  940   1HG   GLU 126          HG2       GLU 126 -17.556  12.873 -21.476
  941   2HG   GLU 126          HG3       GLU 126 -17.157  14.575 -21.657
  942    H    ILE 127           H        ILE 127 -15.757  12.079 -17.116
  943    HA   ILE 127           HA       ILE 127 -13.101  12.883 -16.435
  944    HB   ILE 127           HB       ILE 127 -15.458  12.469 -15.005
  945   1HG1  ILE 127          HG12      ILE 127 -14.162  13.048 -12.964
  946   2HG1  ILE 127          HG13      ILE 127 -12.673  12.948 -13.920
  947   1HG2  ILE 127          HG21      ILE 127 -13.566  10.406 -13.932
  948   2HG2  ILE 127          HG22      ILE 127 -15.076  10.987 -13.185
  949   3HG2  ILE 127          HG23      ILE 127 -15.141  10.138 -14.727
  950   1HD1  ILE 127          HD11      ILE 127 -15.080  14.709 -14.615
  951   2HD1  ILE 127          HD12      ILE 127 -13.688  15.278 -13.670
  952   3HD1  ILE 127          HD13      ILE 127 -13.462  14.765 -15.356
  953    H    GLY 128           H        GLY 128 -14.617   9.657 -16.848
  954   1HA   GLY 128          HA1       GLY 128 -12.341   8.081 -16.292
  955   2HA   GLY 128          HA2       GLY 128 -13.710   7.631 -17.336
  956    H    ASN 129           H        ASN 129 -13.519   9.529 -19.365
  957    HA   ASN 129           HA       ASN 129 -11.542   8.507 -21.072
  958   1HB   ASN 129          HB2       ASN 129 -13.719   9.652 -21.661
  959   2HB   ASN 129          HB3       ASN 129 -12.939  11.188 -21.276
  960   1HD2  ASN 129          HD22      ASN 129 -13.624  11.721 -23.423
  961   2HD2  ASN 129          HD21      ASN 129 -12.724  11.141 -24.831
  962    H    ARG 130           H        ARG 130 -11.490  11.540 -19.138
  963    HA   ARG 130           HA       ARG 130  -8.940  12.428 -20.130
  964   1HB   ARG 130          HB2       ARG 130 -10.151  12.919 -17.370
  965   2HB   ARG 130          HB3       ARG 130  -8.758  13.748 -18.036
  966   1HG   ARG 130          HG2       ARG 130 -11.610  14.015 -19.011
  967   2HG   ARG 130          HG3       ARG 130 -10.729  15.138 -18.022
  968   1HD   ARG 130          HD2       ARG 130 -10.831  16.000 -20.239
  969   2HD   ARG 130          HD3       ARG 130  -9.151  15.584 -19.870
  970    HE   ARG 130           HE       ARG 130  -9.165  14.131 -21.654
  971   1HH1  ARG 130          HH21      ARG 130 -12.572  14.606 -20.742
  972   2HH1  ARG 130          HH22      ARG 130 -13.195  13.727 -22.097
  973   1HH2  ARG 130          HH11      ARG 130  -9.900  13.022 -23.317
  974   2HH2  ARG 130          HH12      ARG 130 -11.614  12.764 -23.630
  975    H    LEU 131           H        LEU 131  -9.857  10.304 -17.415
  976    HA   LEU 131           HA       LEU 131  -7.146  10.077 -16.478
  977   1HB   LEU 131          HB2       LEU 131  -9.687   8.512 -15.906
  978   2HB   LEU 131          HB3       LEU 131  -8.167   8.175 -15.065
  979    HG   LEU 131           HG       LEU 131  -9.271  11.022 -15.173
  980   1HD1  LEU 131          HD11      LEU 131 -10.341  10.641 -13.012
  981   2HD1  LEU 131          HD12      LEU 131 -11.074   9.691 -14.313
  982   3HD1  LEU 131          HD13      LEU 131  -9.990   8.901 -13.143
  983   1HD2  LEU 131          HD21      LEU 131  -7.444   9.598 -13.198
  984   2HD2  LEU 131          HD22      LEU 131  -6.911  10.700 -14.469
  985   3HD2  LEU 131          HD23      LEU 131  -7.934  11.314 -13.181
  986    H    LYS 132           H        LYS 132  -9.126   8.111 -18.689
  987    HA   LYS 132           HA       LYS 132  -7.211   6.084 -19.183
  988   1HB   LYS 132          HB2       LYS 132  -9.250   5.574 -20.017
  989   2HB   LYS 132          HB3       LYS 132  -9.632   7.187 -20.536
  990   1HG   LYS 132          HG2       LYS 132  -7.553   5.564 -22.046
  991   2HG   LYS 132          HG3       LYS 132  -9.281   5.269 -22.253
  992   1HD   LYS 132          HD2       LYS 132  -9.317   7.955 -22.567
  993   2HD   LYS 132          HD3       LYS 132  -7.669   7.641 -23.131
  994   1HE   LYS 132          HE2       LYS 132  -8.488   6.151 -24.859
  995   2HE   LYS 132          HE3       LYS 132 -10.106   6.129 -24.143
  996   1HZ   LYS 132          HZ1       LYS 132  -8.841   8.484 -25.409
  997   2HZ   LYS 132          HZ2       LYS 132 -10.081   7.609 -26.007
  998   3HZ   LYS 132          HZ3       LYS 132 -10.299   8.501 -24.647
  999    H    GLU 133           H        GLU 133  -7.597   9.288 -20.785
 1000    HA   GLU 133           HA       GLU 133  -5.268   8.961 -22.429
 1001   1HB   GLU 133          HB2       GLU 133  -6.542  11.474 -21.271
 1002   2HB   GLU 133          HB3       GLU 133  -5.174  11.478 -22.392
 1003   1HG   GLU 133          HG2       GLU 133  -6.518  10.320 -24.095
 1004   2HG   GLU 133          HG3       GLU 133  -7.918  10.313 -23.019
 1005    H    PHE 134           H        PHE 134  -5.568  10.493 -19.153
 1006    HA   PHE 134           HA       PHE 134  -2.854  11.152 -18.955
 1007   1HB   PHE 134          HB2       PHE 134  -4.471  12.024 -17.433
 1008   2HB   PHE 134          HB3       PHE 134  -4.932  10.415 -16.879
 1009    HD1  PHE 134           HD1      PHE 134  -3.937   9.489 -14.966
 1010    HD2  PHE 134           HD2      PHE 134  -2.011  12.776 -16.978
 1011    HE1  PHE 134           HE1      PHE 134  -2.221   9.576 -13.165
 1012    HE2  PHE 134           HE2      PHE 134  -0.323  12.893 -15.170
 1013    HZ   PHE 134           HZ       PHE 134  -0.444  11.334 -13.249
 1014    H    ALA 135           H        ALA 135  -4.448   8.057 -18.265
 1015    HA   ALA 135           HA       ALA 135  -2.124   6.797 -17.156
 1016   1HB   ALA 135          HB1       ALA 135  -4.415   6.044 -16.659
 1017   2HB   ALA 135          HB2       ALA 135  -4.639   5.569 -18.358
 1018   3HB   ALA 135          HB3       ALA 135  -3.445   4.727 -17.349
 1019    H    GLU 136           H        GLU 136  -3.532   6.924 -20.423
 1020    HA   GLU 136           HA       GLU 136  -1.780   4.890 -21.499
 1021   1HB   GLU 136          HB2       GLU 136  -3.830   6.770 -22.709
 1022   2HB   GLU 136          HB3       GLU 136  -2.848   5.706 -23.704
 1023   1HG   GLU 136          HG2       GLU 136  -4.622   4.679 -21.446
 1024   2HG   GLU 136          HG3       GLU 136  -5.138   4.820 -23.122
 1025    H    THR 137           H        THR 137  -1.952   8.417 -21.605
 1026    HA   THR 137           HA       THR 137   0.219   8.603 -23.472
 1027    HB   THR 137           HB       THR 137  -0.229  10.975 -23.424
 1028    HG1  THR 137           HG1      THR 137  -2.223  10.414 -21.506
 1029   1HG2  THR 137          HG21      THR 137  -1.627   9.570 -24.865
 1030   2HG2  THR 137          HG22      THR 137  -2.777   9.280 -23.556
 1031   3HG2  THR 137          HG23      THR 137  -2.581  10.920 -24.219
 1032    H    GLY 138           H        GLY 138  -0.252   8.764 -19.991
 1033   1HA   GLY 138          HA1       GLY 138   1.149   9.113 -18.228
 1034   2HA   GLY 138          HA2       GLY 138   2.538   8.884 -19.309
 1035    H    LYS 139           H        LYS 139  -0.146  11.274 -19.500
 1036    HA   LYS 139           HA       LYS 139   1.387  13.287 -20.577
 1037   1HB   LYS 139          HB2       LYS 139  -1.157  13.164 -20.382
 1038   2HB   LYS 139          HB3       LYS 139  -0.980  13.873 -18.767
 1039   1HG   LYS 139          HG2       LYS 139   0.322  15.776 -19.867
 1040   2HG   LYS 139          HG3       LYS 139  -0.113  15.082 -21.432
 1041   1HD   LYS 139          HD2       LYS 139  -2.006  16.158 -19.305
 1042   2HD   LYS 139          HD3       LYS 139  -1.571  16.945 -20.828
 1043   1HE   LYS 139          HE2       LYS 139  -2.604  14.985 -22.059
 1044   2HE   LYS 139          HE3       LYS 139  -3.143  14.353 -20.496
 1045   1HZ   LYS 139          HZ1       LYS 139  -3.966  16.910 -21.731
 1046   2HZ   LYS 139          HZ2       LYS 139  -4.914  15.615 -21.439
 1047   3HZ   LYS 139          HZ3       LYS 139  -4.328  16.513 -20.186
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1  -0.446  -0.058  -0.994
    2   2H    MET   1           H2       MET   1   0.478  -0.694  -2.187
    3   3H    MET   1           H3       MET   1   0.408  -1.436  -0.712
    4    HA   MET   1           HA       MET   1   1.453   0.415   0.337
    5   1HB   MET   1          HB2       MET   1   2.785  -1.498  -0.693
    6   2HB   MET   1          HB3       MET   1   3.152  -0.432  -2.045
    7   1HG   MET   1          HG2       MET   1   4.943  -0.518  -0.345
    8   2HG   MET   1          HG3       MET   1   4.320   1.113  -0.524
    9   1HE   MET   1          HE1       MET   1   6.194   0.325   1.840
   10   2HE   MET   1          HE2       MET   1   5.469   1.939   1.653
   11   3HE   MET   1          HE3       MET   1   5.371   1.095   3.215
   12    H    GLU   2           H        GLU   2   3.386   1.792  -1.962
   13    HA   GLU   2           HA       GLU   2   1.618   3.783  -3.047
   14   1HB   GLU   2          HB2       GLU   2   2.567   5.669  -1.753
   15   2HB   GLU   2          HB3       GLU   2   1.644   4.567  -0.741
   16   1HG   GLU   2          HG2       GLU   2   3.750   3.553   0.107
   17   2HG   GLU   2          HG3       GLU   2   4.677   4.672  -0.900
   18    H    ASN   3           H        ASN   3   2.973   5.444  -4.196
   19    HA   ASN   3           HA       ASN   3   5.788   5.154  -4.458
   20   1HB   ASN   3          HB2       ASN   3   5.492   3.211  -5.784
   21   2HB   ASN   3          HB3       ASN   3   4.079   3.860  -6.586
   22   1HD2  ASN   3          HD22      ASN   3   4.344   5.009  -8.498
   23   2HD2  ASN   3          HD21      ASN   3   5.920   5.316  -9.226
   24    H    LYS   4           H        LYS   4   2.771   6.277  -5.944
   25    HA   LYS   4           HA       LYS   4   3.886   9.032  -6.041
   26   1HB   LYS   4          HB2       LYS   4   2.249   7.624  -8.199
   27   2HB   LYS   4          HB3       LYS   4   2.334   9.378  -8.079
   28   1HG   LYS   4          HG2       LYS   4   4.757   9.373  -8.357
   29   2HG   LYS   4          HG3       LYS   4   4.778   7.612  -8.439
   30   1HD   LYS   4          HD2       LYS   4   3.427   9.482 -10.437
   31   2HD   LYS   4          HD3       LYS   4   4.947   8.597 -10.663
   32   1HE   LYS   4          HE2       LYS   4   3.586   6.456 -10.211
   33   2HE   LYS   4          HE3       LYS   4   2.138   7.451 -10.372
   34   1HZ   LYS   4          HZ1       LYS   4   2.865   6.272 -12.431
   35   2HZ   LYS   4          HZ2       LYS   4   2.724   7.904 -12.637
   36   3HZ   LYS   4          HZ3       LYS   4   4.201   7.204 -12.493
   37    H    ILE   5           H        ILE   5   1.914  10.564  -6.208
   38    HA   ILE   5           HA       ILE   5  -0.499   9.562  -4.825
   39    HB   ILE   5           HB       ILE   5   1.271  11.894  -3.984
   40   1HG1  ILE   5          HG12      ILE   5   0.296   9.572  -2.294
   41   2HG1  ILE   5          HG13      ILE   5   1.887   9.667  -3.057
   42   1HG2  ILE   5          HG21      ILE   5  -1.542  11.242  -3.000
   43   2HG2  ILE   5          HG22      ILE   5  -0.489  12.506  -2.315
   44   3HG2  ILE   5          HG23      ILE   5  -1.085  12.667  -3.950
   45   1HD1  ILE   5          HD11      ILE   5   2.367  11.752  -1.788
   46   2HD1  ILE   5          HD12      ILE   5   0.854  11.510  -0.878
   47   3HD1  ILE   5          HD13      ILE   5   2.149  10.310  -0.778
   48    H    ILE   6           H        ILE   6  -2.307  10.582  -5.679
   49    HA   ILE   6           HA       ILE   6  -1.875  12.936  -7.408
   50    HB   ILE   6           HB       ILE   6  -2.174  11.268  -9.001
   51   1HG1  ILE   6          HG12      ILE   6  -4.891  12.579  -8.525
   52   2HG1  ILE   6          HG13      ILE   6  -3.495  13.300  -9.342
   53   1HG2  ILE   6          HG21      ILE   6  -3.961   9.565  -9.014
   54   2HG2  ILE   6          HG22      ILE   6  -2.925   9.392  -7.614
   55   3HG2  ILE   6          HG23      ILE   6  -4.523  10.155  -7.435
   56   1HD1  ILE   6          HD11      ILE   6  -5.223  10.987 -10.266
   57   2HD1  ILE   6          HD12      ILE   6  -4.993  12.564 -11.034
   58   3HD1  ILE   6          HD13      ILE   6  -3.662  11.382 -11.017
   59    H    TYR   7           H        TYR   7  -3.388  14.551  -7.059
   60    HA   TYR   7           HA       TYR   7  -5.409  14.070  -4.934
   61   1HB   TYR   7          HB2       TYR   7  -3.195  15.034  -4.160
   62   2HB   TYR   7          HB3       TYR   7  -3.547  16.469  -5.111
   63    HD1  TYR   7           HD1      TYR   7  -5.747  14.358  -2.844
   64    HD2  TYR   7           HD2      TYR   7  -3.821  18.160  -3.515
   65    HE1  TYR   7           HE1      TYR   7  -6.704  15.205  -0.736
   66    HE2  TYR   7           HE2      TYR   7  -4.727  18.994  -1.367
   67    HH   TYR   7           HH       TYR   7  -6.804  16.987   0.758
   68    H    PHE   8           H        PHE   8  -7.257  14.170  -6.086
   69    HA   PHE   8           HA       PHE   8  -7.647  16.046  -8.289
   70   1HB   PHE   8          HB2       PHE   8  -9.552  14.260  -6.725
   71   2HB   PHE   8          HB3       PHE   8 -10.063  15.297  -8.048
   72    HD1  PHE   8           HD1      PHE   8  -8.767  12.035  -7.235
   73    HD2  PHE   8           HD2      PHE   8  -8.865  15.059 -10.307
   74    HE1  PHE   8           HE1      PHE   8  -8.075  10.355  -8.928
   75    HE2  PHE   8           HE2      PHE   8  -8.083  13.399 -11.970
   76    HZ   PHE   8           HZ       PHE   8  -7.701  11.035 -11.285
   77    H    LEU   9           H        LEU   9  -8.951  17.898  -8.285
   78    HA   LEU   9           HA       LEU   9  -9.767  19.075  -5.673
   79   1HB   LEU   9          HB2       LEU   9  -7.632  19.912  -7.552
   80   2HB   LEU   9          HB3       LEU   9  -8.866  21.139  -7.423
   81    HG   LEU   9           HG       LEU   9  -7.048  21.603  -5.933
   82   1HD1  LEU   9          HD11      LEU   9  -9.384  20.782  -4.180
   83   2HD1  LEU   9          HD12      LEU   9  -8.287  22.164  -4.003
   84   3HD1  LEU   9          HD13      LEU   9  -9.460  22.157  -5.314
   85   1HD2  LEU   9          HD21      LEU   9  -7.672  19.039  -4.421
   86   2HD2  LEU   9          HD22      LEU   9  -6.310  19.250  -5.534
   87   3HD2  LEU   9          HD23      LEU   9  -6.406  20.226  -4.063
   88    H    CYS  10           H        CYS  10 -11.762  20.169  -5.840
   89    HA   CYS  10           HA       CYS  10 -12.628  21.168  -8.416
   90   1HB   CYS  10          HB2       CYS  10 -13.378  18.604  -8.050
   91   2HB   CYS  10          HB3       CYS  10 -14.668  19.373  -7.109
   92    HG   CYS  10           HG       CYS  10 -13.635  19.972 -10.207
   93    H    THR  11           H        THR  11 -14.962  22.305  -8.053
   94    HA   THR  11           HA       THR  11 -14.421  24.110  -5.895
   95    HB   THR  11           HB       THR  11 -16.623  25.149  -6.850
   96    HG1  THR  11           HG1      THR  11 -16.983  24.509  -8.975
   97   1HG2  THR  11          HG21      THR  11 -14.072  24.878  -8.505
   98   2HG2  THR  11          HG22      THR  11 -15.291  26.161  -8.645
   99   3HG2  THR  11          HG23      THR  11 -14.320  26.008  -7.172
  100    H    GLY  12           H        GLY  12 -16.090  21.181  -5.716
  101   1HA   GLY  12          HA1       GLY  12 -16.850  21.753  -3.010
  102   2HA   GLY  12          HA2       GLY  12 -18.280  21.636  -4.060
  103    H    ASN  13           H        ASN  13 -15.684  19.934  -2.523
  104    HA   ASN  13           HA       ASN  13 -15.603  17.525  -4.015
  105   1HB   ASN  13          HB2       ASN  13 -13.891  18.274  -2.386
  106   2HB   ASN  13          HB3       ASN  13 -14.999  17.932  -1.061
  107   1HD2  ASN  13          HD22      ASN  13 -12.782  16.639  -0.772
  108   2HD2  ASN  13          HD21      ASN  13 -12.747  15.005  -1.420
  109    H    SER  14           H        SER  14 -17.478  16.577  -4.480
  110    HA   SER  14           HA       SER  14 -19.071  15.336  -2.372
  111   1HB   SER  14          HB2       SER  14 -21.143  16.539  -3.054
  112   2HB   SER  14          HB3       SER  14 -19.923  17.651  -2.406
  113    HG   SER  14           HG       SER  14 -19.410  18.317  -4.467
  114    H    CYS  15           H        CYS  15 -18.839  16.233  -5.816
  115    HA   CYS  15           HA       CYS  15 -19.568  13.452  -6.545
  116   1HB   CYS  15          HB2       CYS  15 -20.742  14.541  -8.547
  117   2HB   CYS  15          HB3       CYS  15 -21.540  14.701  -6.981
  118    HG   CYS  15           HG       CYS  15 -20.740  17.097  -6.406
  119    H    ARG  16           H        ARG  16 -18.403  16.354  -8.347
  120    HA   ARG  16           HA       ARG  16 -17.100  14.895 -10.291
  121   1HB   ARG  16          HB2       ARG  16 -16.508  17.675  -9.196
  122   2HB   ARG  16          HB3       ARG  16 -15.663  17.040 -10.610
  123   1HG   ARG  16          HG2       ARG  16 -17.686  16.784 -11.861
  124   2HG   ARG  16          HG3       ARG  16 -18.705  17.114 -10.459
  125   1HD   ARG  16          HD2       ARG  16 -16.752  19.146 -11.593
  126   2HD   ARG  16          HD3       ARG  16 -18.423  19.007 -12.146
  127    HE   ARG  16           HE       ARG  16 -18.853  19.258  -9.499
  128   1HH1  ARG  16          HH21      ARG  16 -16.995  21.283 -11.754
  129   2HH1  ARG  16          HH22      ARG  16 -16.771  22.559 -10.583
  130   1HH2  ARG  16          HH11      ARG  16 -18.975  21.058  -8.246
  131   2HH2  ARG  16          HH12      ARG  16 -17.883  22.424  -8.507
  132    H    SER  17           H        SER  17 -15.411  16.151  -7.322
  133    HA   SER  17           HA       SER  17 -12.941  14.984  -7.949
  134   1HB   SER  17          HB2       SER  17 -13.671  15.241  -5.079
  135   2HB   SER  17          HB3       SER  17 -12.278  15.867  -5.976
  136    HG   SER  17           HG       SER  17 -13.437  17.596  -5.409
  137    H    GLN  18           H        GLN  18 -15.731  13.657  -6.154
  138    HA   GLN  18           HA       GLN  18 -14.386  11.300  -5.200
  139   1HB   GLN  18          HB2       GLN  18 -17.355  11.939  -5.613
  140   2HB   GLN  18          HB3       GLN  18 -16.736  10.531  -4.763
  141   1HG   GLN  18          HG2       GLN  18 -16.232  13.409  -3.909
  142   2HG   GLN  18          HG3       GLN  18 -17.473  12.361  -3.242
  143   1HE2  GLN  18          HE22      GLN  18 -14.837  13.607  -2.145
  144   2HE2  GLN  18          HE21      GLN  18 -14.140  12.242  -1.263
  145    H    MET  19           H        MET  19 -16.387  12.014  -8.080
  146    HA   MET  19           HA       MET  19 -16.559   9.334  -9.064
  147   1HB   MET  19          HB2       MET  19 -16.753  12.048 -10.458
  148   2HB   MET  19          HB3       MET  19 -17.119  10.507 -11.244
  149   1HG   MET  19          HG2       MET  19 -19.000  10.100  -9.859
  150   2HG   MET  19          HG3       MET  19 -18.507  11.309  -8.688
  151   1HE   MET  19          HE1       MET  19 -20.204  10.622 -12.124
  152   2HE   MET  19          HE2       MET  19 -20.469  12.252 -12.779
  153   3HE   MET  19          HE3       MET  19 -18.821  11.597 -12.679
  154    H    ALA  20           H        ALA  20 -14.302  12.069  -9.823
  155    HA   ALA  20           HA       ALA  20 -12.673  10.667 -11.645
  156   1HB   ALA  20          HB1       ALA  20 -10.973  12.338 -11.115
  157   2HB   ALA  20          HB2       ALA  20 -12.561  13.115 -11.226
  158   3HB   ALA  20          HB3       ALA  20 -11.833  12.797  -9.633
  159    H    GLU  21           H        GLU  21 -12.438  10.899  -8.062
  160    HA   GLU  21           HA       GLU  21 -10.087   9.382  -7.774
  161   1HB   GLU  21          HB2       GLU  21 -11.040  10.695  -5.972
  162   2HB   GLU  21          HB3       GLU  21 -12.475   9.666  -5.899
  163   1HG   GLU  21          HG2       GLU  21 -11.076   7.746  -5.271
  164   2HG   GLU  21          HG3       GLU  21  -9.632   8.752  -5.318
  165    H    GLY  22           H        GLY  22 -13.514   8.264  -7.902
  166   1HA   GLY  22          HA1       GLY  22 -13.008   5.518  -7.533
  167   2HA   GLY  22          HA2       GLY  22 -14.406   6.218  -8.347
  168    H    TRP  23           H        TRP  23 -13.224   7.374 -10.711
  169    HA   TRP  23           HA       TRP  23 -12.782   4.942 -12.246
  170   1HB   TRP  23          HB2       TRP  23 -12.387   7.866 -12.986
  171   2HB   TRP  23          HB3       TRP  23 -12.107   6.543 -14.092
  172    HD1  TRP  23           HD1      TRP  23 -14.835   8.559 -12.506
  173    HE1  TRP  23           HE1      TRP  23 -17.032   8.224 -13.706
  174    HE3  TRP  23           HE3      TRP  23 -13.517   4.623 -15.510
  175    HZ2  TRP  23           HZ2      TRP  23 -18.124   6.483 -15.722
  176    HZ3  TRP  23           HZ3      TRP  23 -15.168   3.694 -17.113
  177    HH2  TRP  23           HH2      TRP  23 -17.485   4.651 -17.222
  178    H    ALA  24           H        ALA  24 -10.590   7.429 -10.868
  179    HA   ALA  24           HA       ALA  24  -8.313   6.631 -12.330
  180   1HB   ALA  24          HB1       ALA  24  -7.041   7.845 -10.550
  181   2HB   ALA  24          HB2       ALA  24  -8.437   8.775 -11.118
  182   3HB   ALA  24          HB3       ALA  24  -8.522   7.917  -9.570
  183    H    LYS  25           H        LYS  25  -9.621   5.380  -9.251
  184    HA   LYS  25           HA       LYS  25  -7.395   3.730  -8.628
  185   1HB   LYS  25          HB2       LYS  25 -10.372   3.454  -8.048
  186   2HB   LYS  25          HB3       LYS  25  -9.175   2.332  -7.389
  187   1HG   LYS  25          HG2       LYS  25  -8.083   4.014  -6.110
  188   2HG   LYS  25          HG3       LYS  25  -8.880   5.331  -6.977
  189   1HD   LYS  25          HD2       LYS  25 -11.075   4.620  -6.075
  190   2HD   LYS  25          HD3       LYS  25 -10.272   3.335  -5.137
  191   1HE   LYS  25          HE2       LYS  25  -8.968   5.014  -3.895
  192   2HE   LYS  25          HE3       LYS  25  -9.586   6.296  -4.942
  193   1HZ   LYS  25          HZ1       LYS  25 -11.119   4.769  -2.936
  194   2HZ   LYS  25          HZ2       LYS  25 -10.861   6.407  -3.016
  195   3HZ   LYS  25          HZ3       LYS  25 -11.845   5.703  -4.095
  196    H    GLN  26           H        GLN  26  -9.854   3.308 -11.137
  197    HA   GLN  26           HA       GLN  26  -9.220   0.479 -11.575
  198   1HB   GLN  26          HB2       GLN  26 -10.500   2.425 -13.508
  199   2HB   GLN  26          HB3       GLN  26 -10.443   0.676 -13.625
  200   1HG   GLN  26          HG2       GLN  26 -11.862   0.534 -11.545
  201   2HG   GLN  26          HG3       GLN  26 -12.027   2.306 -11.597
  202   1HE2  GLN  26          HE22      GLN  26 -12.338   2.987 -14.136
  203   2HE2  GLN  26          HE21      GLN  26 -13.735   2.216 -14.872
  204    H    TYR  27           H        TYR  27  -8.644   3.530 -13.341
  205    HA   TYR  27           HA       TYR  27  -6.975   2.289 -15.291
  206   1HB   TYR  27          HB2       TYR  27  -7.327   5.228 -14.591
  207   2HB   TYR  27          HB3       TYR  27  -6.463   4.642 -16.005
  208    HD1  TYR  27           HD1      TYR  27  -7.840   2.772 -17.428
  209    HD2  TYR  27           HD2      TYR  27  -9.570   5.888 -14.995
  210    HE1  TYR  27           HE1      TYR  27  -9.938   2.611 -18.727
  211    HE2  TYR  27           HE2      TYR  27 -11.646   5.771 -16.324
  212    HH   TYR  27           HH       TYR  27 -12.780   4.714 -18.083
  213    H    LEU  28           H        LEU  28  -6.141   3.841 -12.253
  214    HA   LEU  28           HA       LEU  28  -3.233   3.692 -12.806
  215   1HB   LEU  28          HB2       LEU  28  -4.674   4.748 -10.349
  216   2HB   LEU  28          HB3       LEU  28  -2.978   4.947 -10.767
  217    HG   LEU  28           HG       LEU  28  -5.352   6.196 -12.212
  218   1HD1  LEU  28          HD11      LEU  28  -3.094   7.465 -10.627
  219   2HD1  LEU  28          HD12      LEU  28  -4.450   8.301 -11.406
  220   3HD1  LEU  28          HD13      LEU  28  -4.752   7.211 -10.044
  221   1HD2  LEU  28          HD21      LEU  28  -2.415   6.536 -12.902
  222   2HD2  LEU  28          HD22      LEU  28  -3.605   5.651 -13.876
  223   3HD2  LEU  28          HD23      LEU  28  -3.791   7.380 -13.633
  224    H    GLY  29           H        GLY  29  -3.002   3.151  -9.703
  225   1HA   GLY  29          HA1       GLY  29  -3.804   0.593  -9.042
  226   2HA   GLY  29          HA2       GLY  29  -2.405   0.365 -10.108
  227    H    ASP  30           H        ASP  30  -1.496  -0.572  -8.084
  228    HA   ASP  30           HA       ASP  30  -0.916   0.810  -5.715
  229   1HB   ASP  30          HB2       ASP  30  -0.724  -1.608  -6.012
  230   2HB   ASP  30          HB3       ASP  30   0.602  -1.387  -7.159
  231    H    GLU  31           H        GLU  31   0.561   1.180  -8.837
  232    HA   GLU  31           HA       GLU  31   3.026   2.399  -8.161
  233   1HB   GLU  31          HB2       GLU  31   2.296   1.534 -10.388
  234   2HB   GLU  31          HB3       GLU  31   1.182   2.878 -10.536
  235   1HG   GLU  31          HG2       GLU  31   3.233   4.420 -10.372
  236   2HG   GLU  31          HG3       GLU  31   4.223   2.969 -10.487
  237    H    TRP  32           H        TRP  32  -0.161   3.460  -7.428
  238    HA   TRP  32           HA       TRP  32   0.739   6.217  -6.847
  239   1HB   TRP  32          HB2       TRP  32  -1.924   5.540  -8.141
  240   2HB   TRP  32          HB3       TRP  32  -1.304   7.133  -7.780
  241    HD1  TRP  32           HD1      TRP  32  -0.459   4.189 -10.117
  242    HE1  TRP  32           HE1      TRP  32   0.226   5.101 -12.411
  243    HE3  TRP  32           HE3      TRP  32  -0.689   9.204  -9.095
  244    HZ2  TRP  32           HZ2      TRP  32   0.181   7.629 -13.741
  245    HZ3  TRP  32           HZ3      TRP  32  -0.500  10.842 -10.945
  246    HH2  TRP  32           HH2      TRP  32  -0.143  10.061 -13.284
  247    H    LYS  33           H        LYS  33  -0.873   7.311  -5.491
  248    HA   LYS  33           HA       LYS  33  -2.848   5.673  -3.956
  249   1HB   LYS  33          HB2       LYS  33  -0.917   7.781  -2.931
  250   2HB   LYS  33          HB3       LYS  33  -2.433   7.354  -2.118
  251   1HG   LYS  33          HG2       LYS  33  -1.591   4.878  -2.335
  252   2HG   LYS  33          HG3       LYS  33   0.002   5.612  -2.589
  253   1HD   LYS  33          HD2       LYS  33  -1.880   6.078  -0.246
  254   2HD   LYS  33          HD3       LYS  33  -0.487   4.988  -0.213
  255   1HE   LYS  33          HE2       LYS  33   0.972   7.033  -0.806
  256   2HE   LYS  33          HE3       LYS  33  -0.462   8.023  -0.536
  257   1HZ   LYS  33          HZ1       LYS  33   0.748   8.024   1.460
  258   2HZ   LYS  33          HZ2       LYS  33  -0.481   6.999   1.767
  259   3HZ   LYS  33          HZ3       LYS  33   1.043   6.425   1.440
  260    H    VAL  34           H        VAL  34  -4.856   6.793  -3.790
  261    HA   VAL  34           HA       VAL  34  -5.033   9.261  -5.464
  262    HB   VAL  34           HB       VAL  34  -7.048   6.987  -5.464
  263   1HG1  VAL  34          HG11      VAL  34  -7.692   9.353  -6.257
  264   2HG1  VAL  34          HG12      VAL  34  -6.571   9.096  -7.600
  265   3HG1  VAL  34          HG13      VAL  34  -7.972   8.024  -7.384
  266   1HG2  VAL  34          HG21      VAL  34  -6.186   6.284  -7.683
  267   2HG2  VAL  34          HG22      VAL  34  -4.778   7.353  -7.461
  268   3HG2  VAL  34          HG23      VAL  34  -5.040   5.959  -6.388
  269    H    TYR  35           H        TYR  35  -5.962  10.894  -4.403
  270    HA   TYR  35           HA       TYR  35  -8.273  10.316  -2.672
  271   1HB   TYR  35          HB2       TYR  35  -6.742  12.580  -1.628
  272   2HB   TYR  35          HB3       TYR  35  -7.579  11.308  -0.793
  273    HD1  TYR  35           HD1      TYR  35  -6.325   9.051  -0.427
  274    HD2  TYR  35           HD2      TYR  35  -4.405  12.681  -1.746
  275    HE1  TYR  35           HE1      TYR  35  -4.154   8.228   0.456
  276    HE2  TYR  35           HE2      TYR  35  -2.268  11.907  -0.821
  277    HH   TYR  35           HH       TYR  35  -1.177  10.247   0.388
  278    H    SER  36           H        SER  36  -9.478  12.458  -2.259
  279    HA   SER  36           HA       SER  36  -9.090  14.433  -4.416
  280   1HB   SER  36          HB2       SER  36 -11.499  14.264  -4.929
  281   2HB   SER  36          HB3       SER  36 -10.618  12.795  -5.341
  282    HG   SER  36           HG       SER  36 -11.443  11.778  -3.558
  283    H    ALA  37           H        ALA  37  -9.725  16.476  -3.889
  284    HA   ALA  37           HA       ALA  37 -11.013  16.991  -1.278
  285   1HB   ALA  37          HB1       ALA  37  -9.411  18.654  -0.780
  286   2HB   ALA  37          HB2       ALA  37  -8.587  17.117  -1.015
  287   3HB   ALA  37          HB3       ALA  37  -8.515  18.361  -2.296
  288    H    GLY  38           H        GLY  38 -11.140  19.716  -1.397
  289   1HA   GLY  38          HA1       GLY  38 -11.645  20.728  -4.028
  290   2HA   GLY  38          HA2       GLY  38 -13.152  20.419  -3.155
  291    H    ILE  39           H        ILE  39 -12.766  22.888  -3.866
  292    HA   ILE  39           HA       ILE  39 -11.451  24.734  -2.147
  293    HB   ILE  39           HB       ILE  39 -13.927  24.757  -3.893
  294   1HG1  ILE  39          HG12      ILE  39 -12.699  26.493  -5.148
  295   2HG1  ILE  39          HG13      ILE  39 -11.384  26.427  -3.981
  296   1HG2  ILE  39          HG21      ILE  39 -13.092  27.123  -2.191
  297   2HG2  ILE  39          HG22      ILE  39 -14.231  27.177  -3.557
  298   3HG2  ILE  39          HG23      ILE  39 -14.640  26.237  -2.130
  299   1HD1  ILE  39          HD11      ILE  39 -10.843  25.271  -6.078
  300   2HD1  ILE  39          HD12      ILE  39 -10.826  24.130  -4.741
  301   3HD1  ILE  39          HD13      ILE  39 -12.204  24.177  -5.871
  302    H    GLU  40           H        GLU  40 -14.510  22.995  -1.905
  303    HA   GLU  40           HA       GLU  40 -14.402  23.069   0.989
  304   1HB   GLU  40          HB2       GLU  40 -16.709  23.721   1.303
  305   2HB   GLU  40          HB3       GLU  40 -15.829  25.016   0.504
  306   1HG   GLU  40          HG2       GLU  40 -16.798  24.320  -1.691
  307   2HG   GLU  40          HG3       GLU  40 -17.699  23.026  -0.892
  308    H    ALA  41           H        ALA  41 -16.535  21.560   1.581
  309    HA   ALA  41           HA       ALA  41 -16.753  19.326  -0.370
  310   1HB   ALA  41          HB1       ALA  41 -16.531  17.767   1.577
  311   2HB   ALA  41          HB2       ALA  41 -15.040  18.675   1.263
  312   3HB   ALA  41          HB3       ALA  41 -16.106  19.138   2.610
  313    H    HIS  42           H        HIS  42 -18.616  17.945   0.148
  314    HA   HIS  42           HA       HIS  42 -20.696  19.236   1.882
  315   1HB   HIS  42          HB2       HIS  42 -21.362  17.759  -0.677
  316   2HB   HIS  42          HB3       HIS  42 -22.437  18.680   0.352
  317    HD1  HIS  42           HD1      HIS  42 -20.258  21.316   0.288
  318    HD2  HIS  42           HD2      HIS  42 -22.107  19.167  -2.823
  319    HE1  HIS  42           HE1      HIS  42 -20.334  22.880  -1.726
  320    H    GLY  43           H        GLY  43 -19.410  16.273   0.375
  321   1HA   GLY  43          HA1       GLY  43 -19.189  14.301   1.998
  322   2HA   GLY  43          HA2       GLY  43 -20.934  14.534   2.231
  323    H    LEU  44           H        LEU  44 -20.172  12.141   1.167
  324    HA   LEU  44           HA       LEU  44 -19.885  11.986  -1.655
  325   1HB   LEU  44          HB2       LEU  44 -20.688  10.110   0.532
  326   2HB   LEU  44          HB3       LEU  44 -21.205   9.682  -1.085
  327    HG   LEU  44           HG       LEU  44 -19.049   8.705  -0.367
  328   1HD1  LEU  44          HD11      LEU  44 -19.047  10.341  -2.921
  329   2HD1  LEU  44          HD12      LEU  44 -17.883   9.056  -2.528
  330   3HD1  LEU  44          HD13      LEU  44 -19.590   8.660  -2.663
  331   1HD2  LEU  44          HD21      LEU  44 -16.988  10.010  -0.465
  332   2HD2  LEU  44          HD22      LEU  44 -17.883  11.500  -0.765
  333   3HD2  LEU  44          HD23      LEU  44 -18.066  10.652   0.787
  334    H    ASN  45           H        ASN  45 -21.224  12.940  -3.066
  335    HA   ASN  45           HA       ASN  45 -23.972  13.534  -2.494
  336   1HB   ASN  45          HB2       ASN  45 -22.462  14.776  -4.081
  337   2HB   ASN  45          HB3       ASN  45 -22.609  13.433  -5.217
  338   1HD2  ASN  45          HD22      ASN  45 -23.680  16.429  -4.950
  339   2HD2  ASN  45          HD21      ASN  45 -25.348  16.249  -5.433
  340    HA   PRO  46           HA       PRO  46 -25.419   9.335  -3.350
  341   1HB   PRO  46          HB2       PRO  46 -28.014  10.775  -3.941
  342   2HB   PRO  46          HB3       PRO  46 -27.745   9.293  -2.970
  343   1HG   PRO  46          HG2       PRO  46 -28.133  11.686  -1.747
  344   2HG   PRO  46          HG3       PRO  46 -26.876  10.558  -1.142
  345   1HD   PRO  46          HD2       PRO  46 -26.519  12.990  -2.911
  346   2HD   PRO  46          HD3       PRO  46 -25.548  12.455  -1.503
  347    H    ASN  47           H        ASN  47 -26.016  12.095  -5.592
  348    HA   ASN  47           HA       ASN  47 -26.694  10.478  -7.857
  349   1HB   ASN  47          HB2       ASN  47 -26.813  12.385  -8.995
  350   2HB   ASN  47          HB3       ASN  47 -26.642  13.219  -7.468
  351   1HD2  ASN  47          HD22      ASN  47 -25.354  12.783 -10.646
  352   2HD2  ASN  47          HD21      ASN  47 -23.816  13.571 -10.396
  353    H    ALA  48           H        ALA  48 -23.564  11.584  -6.529
  354    HA   ALA  48           HA       ALA  48 -22.031  10.556  -8.740
  355   1HB   ALA  48          HB1       ALA  48 -21.224  12.336  -7.303
  356   2HB   ALA  48          HB2       ALA  48 -21.216  11.265  -5.880
  357   3HB   ALA  48          HB3       ALA  48 -20.111  10.951  -7.227
  358    H    VAL  49           H        VAL  49 -23.046   9.321  -5.557
  359    HA   VAL  49           HA       VAL  49 -21.536   6.903  -5.597
  360    HB   VAL  49           HB       VAL  49 -24.168   7.559  -4.231
  361   1HG1  VAL  49          HG11      VAL  49 -22.358   5.116  -4.055
  362   2HG1  VAL  49          HG12      VAL  49 -23.611   5.519  -2.848
  363   3HG1  VAL  49          HG13      VAL  49 -24.074   5.143  -4.513
  364   1HG2  VAL  49          HG21      VAL  49 -22.124   8.831  -3.467
  365   2HG2  VAL  49          HG22      VAL  49 -22.782   7.746  -2.232
  366   3HG2  VAL  49          HG23      VAL  49 -21.338   7.271  -3.147
  367    H    LYS  50           H        LYS  50 -24.964   7.571  -6.730
  368    HA   LYS  50           HA       LYS  50 -25.172   4.914  -7.745
  369   1HB   LYS  50          HB2       LYS  50 -27.107   6.438  -7.218
  370   2HB   LYS  50          HB3       LYS  50 -26.763   7.317  -8.720
  371   1HG   LYS  50          HG2       LYS  50 -27.065   5.200 -10.006
  372   2HG   LYS  50          HG3       LYS  50 -27.363   4.319  -8.504
  373   1HD   LYS  50          HD2       LYS  50 -29.405   5.597  -8.102
  374   2HD   LYS  50          HD3       LYS  50 -29.055   6.654  -9.467
  375   1HE   LYS  50          HE2       LYS  50 -30.794   5.085 -10.062
  376   2HE   LYS  50          HE3       LYS  50 -29.366   4.823 -11.062
  377   1HZ   LYS  50          HZ1       LYS  50 -30.508   2.804 -10.135
  378   2HZ   LYS  50          HZ2       LYS  50 -28.903   2.820  -9.934
  379   3HZ   LYS  50          HZ3       LYS  50 -29.913   3.173  -8.666
  380    H    ALA  51           H        ALA  51 -24.214   7.999  -9.353
  381    HA   ALA  51           HA       ALA  51 -24.057   7.104 -11.960
  382   1HB   ALA  51          HB1       ALA  51 -23.701   9.461 -11.314
  383   2HB   ALA  51          HB2       ALA  51 -22.178   9.026 -10.501
  384   3HB   ALA  51          HB3       ALA  51 -22.318   8.885 -12.267
  385    H    MET  52           H        MET  52 -21.479   6.807  -9.452
  386    HA   MET  52           HA       MET  52 -19.709   5.365 -11.231
  387   1HB   MET  52          HB2       MET  52 -19.812   5.883  -8.234
  388   2HB   MET  52          HB3       MET  52 -18.453   5.126  -9.061
  389   1HG   MET  52          HG2       MET  52 -19.513   7.941  -9.531
  390   2HG   MET  52          HG3       MET  52 -18.032   7.515  -8.691
  391   1HE   MET  52          HE1       MET  52 -16.749   5.319 -10.296
  392   2HE   MET  52          HE2       MET  52 -15.721   6.150 -11.455
  393   3HE   MET  52          HE3       MET  52 -15.842   6.757  -9.789
  394    H    LYS  53           H        LYS  53 -22.033   4.442  -8.621
  395    HA   LYS  53           HA       LYS  53 -21.152   1.759  -8.452
  396   1HB   LYS  53          HB2       LYS  53 -22.433   3.040  -6.769
  397   2HB   LYS  53          HB3       LYS  53 -23.878   2.935  -7.787
  398   1HG   LYS  53          HG2       LYS  53 -23.905   0.497  -7.527
  399   2HG   LYS  53          HG3       LYS  53 -22.372   0.535  -6.636
  400   1HD   LYS  53          HD2       LYS  53 -24.907   1.975  -5.745
  401   2HD   LYS  53          HD3       LYS  53 -24.453   0.345  -5.198
  402   1HE   LYS  53          HE2       LYS  53 -22.319   1.267  -4.271
  403   2HE   LYS  53          HE3       LYS  53 -22.806   2.885  -4.772
  404   1HZ   LYS  53          HZ1       LYS  53 -24.141   1.220  -2.732
  405   2HZ   LYS  53          HZ2       LYS  53 -23.305   2.610  -2.499
  406   3HZ   LYS  53          HZ3       LYS  53 -24.746   2.643  -3.271
  407    H    GLU  54           H        GLU  54 -23.498   3.323 -10.612
  408    HA   GLU  54           HA       GLU  54 -24.450   0.931 -11.828
  409   1HB   GLU  54          HB2       GLU  54 -24.332   3.825 -12.746
  410   2HB   GLU  54          HB3       GLU  54 -25.072   2.572 -13.731
  411   1HG   GLU  54          HG2       GLU  54 -25.899   3.299 -10.900
  412   2HG   GLU  54          HG3       GLU  54 -26.698   3.850 -12.370
  413    H    VAL  55           H        VAL  55 -21.331   2.531 -12.145
  414    HA   VAL  55           HA       VAL  55 -20.660   1.154 -14.668
  415    HB   VAL  55           HB       VAL  55 -18.757   2.478 -12.686
  416   1HG1  VAL  55          HG11      VAL  55 -17.619   1.092 -14.359
  417   2HG1  VAL  55          HG12      VAL  55 -18.490   1.924 -15.668
  418   3HG1  VAL  55          HG13      VAL  55 -17.313   2.799 -14.663
  419   1HG2  VAL  55          HG21      VAL  55 -20.405   4.177 -13.354
  420   2HG2  VAL  55          HG22      VAL  55 -18.832   4.509 -14.056
  421   3HG2  VAL  55          HG23      VAL  55 -20.112   3.801 -15.070
  422    H    GLY  56           H        GLY  56 -20.698   0.571 -11.215
  423   1HA   GLY  56          HA1       GLY  56 -20.371  -1.618 -10.285
  424   2HA   GLY  56          HA2       GLY  56 -19.098  -1.937 -11.473
  425    H    ILE  57           H        ILE  57 -19.148   1.303 -10.089
  426    HA   ILE  57           HA       ILE  57 -16.720   0.640  -8.493
  427    HB   ILE  57           HB       ILE  57 -17.439   3.216  -9.923
  428   1HG1  ILE  57          HG12      ILE  57 -15.370   1.128 -10.740
  429   2HG1  ILE  57          HG13      ILE  57 -16.911   1.409 -11.550
  430   1HG2  ILE  57          HG21      ILE  57 -14.836   2.329  -8.566
  431   2HG2  ILE  57          HG22      ILE  57 -15.134   3.905  -9.316
  432   3HG2  ILE  57          HG23      ILE  57 -16.006   3.456  -7.858
  433   1HD1  ILE  57          HD11      ILE  57 -16.184   3.812 -11.935
  434   2HD1  ILE  57          HD12      ILE  57 -14.541   3.290 -11.449
  435   3HD1  ILE  57          HD13      ILE  57 -15.352   2.567 -12.851
  436    H    ASP  58           H        ASP  58 -17.635   0.330  -6.532
  437    HA   ASP  58           HA       ASP  58 -19.831   2.003  -5.543
  438   1HB   ASP  58          HB2       ASP  58 -19.855  -0.309  -4.907
  439   2HB   ASP  58          HB3       ASP  58 -18.215  -0.212  -4.246
  440    H    ILE  59           H        ILE  59 -18.929   4.118  -5.585
  441    HA   ILE  59           HA       ILE  59 -16.536   4.662  -4.034
  442    HB   ILE  59           HB       ILE  59 -16.831   6.964  -4.632
  443   1HG1  ILE  59          HG12      ILE  59 -19.398   6.351  -6.124
  444   2HG1  ILE  59          HG13      ILE  59 -19.416   6.899  -4.457
  445   1HG2  ILE  59          HG21      ILE  59 -16.572   6.822  -7.027
  446   2HG2  ILE  59          HG22      ILE  59 -15.813   5.419  -6.266
  447   3HG2  ILE  59          HG23      ILE  59 -17.390   5.246  -7.066
  448   1HD1  ILE  59          HD11      ILE  59 -18.217   8.473  -6.762
  449   2HD1  ILE  59          HD12      ILE  59 -19.709   8.818  -5.859
  450   3HD1  ILE  59          HD13      ILE  59 -18.150   8.916  -5.051
  451    H    SER  60           H        SER  60 -19.603   3.894  -2.903
  452    HA   SER  60           HA       SER  60 -20.221   6.097  -1.286
  453   1HB   SER  60          HB2       SER  60 -20.720   3.277  -0.277
  454   2HB   SER  60          HB3       SER  60 -21.766   4.697  -0.179
  455    HG   SER  60           HG       SER  60 -21.199   2.969  -2.356
  456    H    ASN  61           H        ASN  61 -17.837   3.564  -0.869
  457    HA   ASN  61           HA       ASN  61 -17.312   3.776   1.921
  458   1HB   ASN  61          HB2       ASN  61 -16.722   1.821   0.518
  459   2HB   ASN  61          HB3       ASN  61 -15.597   2.815  -0.416
  460   1HD2  ASN  61          HD22      ASN  61 -16.251   1.712   2.968
  461   2HD2  ASN  61          HD21      ASN  61 -14.573   1.659   3.435
  462    H    GLN  62           H        GLN  62 -16.452   5.908  -0.719
  463    HA   GLN  62           HA       GLN  62 -13.956   6.855   0.353
  464   1HB   GLN  62          HB2       GLN  62 -15.810   8.110  -1.705
  465   2HB   GLN  62          HB3       GLN  62 -14.126   8.564  -1.377
  466   1HG   GLN  62          HG2       GLN  62 -13.423   6.255  -2.034
  467   2HG   GLN  62          HG3       GLN  62 -15.085   5.911  -2.512
  468   1HE2  GLN  62          HE22      GLN  62 -14.906   9.070  -3.522
  469   2HE2  GLN  62          HE21      GLN  62 -14.376   8.733  -5.167
  470    H    THR  63           H        THR  63 -13.904   9.421   0.661
  471    HA   THR  63           HA       THR  63 -16.196  10.459   2.125
  472    HB   THR  63           HB       THR  63 -14.424  11.312   3.873
  473    HG1  THR  63           HG1      THR  63 -12.589  10.390   2.915
  474   1HG2  THR  63          HG21      THR  63 -16.331   9.826   4.408
  475   2HG2  THR  63          HG22      THR  63 -15.344   8.409   3.979
  476   3HG2  THR  63          HG23      THR  63 -14.884   9.439   5.352
  477    H    SER  64           H        SER  64 -16.248  12.770   2.125
  478    HA   SER  64           HA       SER  64 -14.421  14.055   0.199
  479   1HB   SER  64          HB2       SER  64 -16.865  15.141   1.652
  480   2HB   SER  64          HB3       SER  64 -15.915  15.961   0.400
  481    HG   SER  64           HG       SER  64 -17.464  15.100  -0.750
  482    H    ASP  65           H        ASP  65 -13.285  15.920   0.783
  483    HA   ASP  65           HA       ASP  65 -13.173  16.926   3.494
  484   1HB   ASP  65          HB2       ASP  65 -11.422  15.037   3.411
  485   2HB   ASP  65          HB3       ASP  65 -10.592  15.990   2.171
  486    H    ILE  66           H        ILE  66 -11.891  19.020   3.435
  487    HA   ILE  66           HA       ILE  66 -12.040  20.278   0.762
  488    HB   ILE  66           HB       ILE  66 -12.052  22.340   1.846
  489   1HG1  ILE  66          HG12      ILE  66 -11.281  20.938   4.429
  490   2HG1  ILE  66          HG13      ILE  66 -10.299  22.086   3.493
  491   1HG2  ILE  66          HG21      ILE  66 -13.711  20.639   3.754
  492   2HG2  ILE  66          HG22      ILE  66 -14.088  22.241   3.095
  493   3HG2  ILE  66          HG23      ILE  66 -14.110  20.810   2.047
  494   1HD1  ILE  66          HD11      ILE  66 -12.098  23.821   3.919
  495   2HD1  ILE  66          HD12      ILE  66 -12.822  22.665   5.065
  496   3HD1  ILE  66          HD13      ILE  66 -11.188  23.283   5.357
  497    H    ILE  67           H        ILE  67 -10.119  21.644   0.187
  498    HA   ILE  67           HA       ILE  67  -7.938  19.947  -0.075
  499    HB   ILE  67           HB       ILE  67  -8.565  21.570  -1.681
  500   1HG1  ILE  67          HG12      ILE  67  -6.200  20.696  -1.481
  501   2HG1  ILE  67          HG13      ILE  67  -6.516  22.039  -2.555
  502   1HG2  ILE  67          HG21      ILE  67  -8.060  23.966  -1.520
  503   2HG2  ILE  67          HG22      ILE  67  -9.314  23.468  -0.383
  504   3HG2  ILE  67          HG23      ILE  67  -7.659  23.779   0.197
  505   1HD1  ILE  67          HD11      ILE  67  -4.391  22.243  -1.248
  506   2HD1  ILE  67          HD12      ILE  67  -5.481  23.636  -1.126
  507   3HD1  ILE  67          HD13      ILE  67  -5.349  22.489   0.215
  508    H    ASP  68           H        ASP  68  -6.151  19.509   0.903
  509    HA   ASP  68           HA       ASP  68  -5.275  21.111   3.258
  510   1HB   ASP  68          HB2       ASP  68  -6.023  18.905   3.943
  511   2HB   ASP  68          HB3       ASP  68  -5.006  18.137   2.718
  512    H    SER  69           H        SER  69  -3.667  22.377   2.524
  513    HA   SER  69           HA       SER  69  -2.254  22.039   0.183
  514   1HB   SER  69          HB2       SER  69  -1.184  23.575   2.556
  515   2HB   SER  69          HB3       SER  69  -1.073  23.975   0.828
  516    HG   SER  69           HG       SER  69  -2.657  25.206   2.005
  517    H    ASP  70           H        ASP  70  -1.648  20.403   3.250
  518    HA   ASP  70           HA       ASP  70   1.157  19.933   2.794
  519   1HB   ASP  70          HB2       ASP  70   0.197  19.707   5.031
  520   2HB   ASP  70          HB3       ASP  70  -0.856  18.401   4.469
  521    H    ILE  71           H        ILE  71  -1.833  18.110   2.039
  522    HA   ILE  71           HA       ILE  71  -0.361  15.872   0.884
  523    HB   ILE  71           HB       ILE  71  -3.303  16.656   0.706
  524   1HG1  ILE  71          HG12      ILE  71  -1.793  14.431   2.160
  525   2HG1  ILE  71          HG13      ILE  71  -2.429  15.893   2.926
  526   1HG2  ILE  71          HG21      ILE  71  -3.624  14.384  -0.301
  527   2HG2  ILE  71          HG22      ILE  71  -2.674  15.414  -1.344
  528   3HG2  ILE  71          HG23      ILE  71  -1.850  14.186  -0.362
  529   1HD1  ILE  71          HD11      ILE  71  -4.749  15.175   2.219
  530   2HD1  ILE  71          HD12      ILE  71  -4.037  13.612   1.730
  531   3HD1  ILE  71          HD13      ILE  71  -3.953  14.132   3.418
  532    H    LEU  72           H        LEU  72  -1.975  18.817  -0.352
  533    HA   LEU  72           HA       LEU  72  -1.580  18.481  -3.094
  534   1HB   LEU  72          HB2       LEU  72  -2.780  20.345  -1.937
  535   2HB   LEU  72          HB3       LEU  72  -1.219  20.965  -1.394
  536    HG   LEU  72           HG       LEU  72  -0.605  21.154  -3.901
  537   1HD1  LEU  72          HD11      LEU  72  -2.536  21.498  -5.392
  538   2HD1  LEU  72          HD12      LEU  72  -2.561  19.845  -4.752
  539   3HD1  LEU  72          HD13      LEU  72  -3.662  21.064  -4.090
  540   1HD2  LEU  72          HD21      LEU  72  -2.754  22.911  -2.666
  541   2HD2  LEU  72          HD22      LEU  72  -1.004  23.068  -2.408
  542   3HD2  LEU  72          HD23      LEU  72  -1.687  23.372  -4.013
  543    H    ASN  73           H        ASN  73   0.773  19.835  -0.695
  544    HA   ASN  73           HA       ASN  73   2.859  20.149  -2.611
  545   1HB   ASN  73          HB2       ASN  73   2.715  20.219   0.409
  546   2HB   ASN  73          HB3       ASN  73   4.285  20.152  -0.372
  547   1HD2  ASN  73          HD22      ASN  73   1.408  22.161   0.046
  548   2HD2  ASN  73          HD21      ASN  73   2.103  23.602  -0.673
  549    H    ASN  74           H        ASN  74   1.696  17.204  -1.243
  550    HA   ASN  74           HA       ASN  74   4.353  15.855  -1.482
  551   1HB   ASN  74          HB2       ASN  74   1.712  15.097  -0.174
  552   2HB   ASN  74          HB3       ASN  74   2.864  13.868  -0.654
  553   1HD2  ASN  74          HD22      ASN  74   2.296  16.486   1.628
  554   2HD2  ASN  74          HD21      ASN  74   3.632  16.074   2.678
  555    H    ALA  75           H        ALA  75   1.331  16.419  -3.162
  556    HA   ALA  75           HA       ALA  75   1.099  13.882  -4.347
  557   1HB   ALA  75          HB1       ALA  75  -0.608  14.902  -5.730
  558   2HB   ALA  75          HB2       ALA  75  -0.749  15.484  -4.061
  559   3HB   ALA  75          HB3       ALA  75  -0.023  16.531  -5.308
  560    H    ASP  76           H        ASP  76   1.791  13.075  -6.424
  561    HA   ASP  76           HA       ASP  76   4.082  14.393  -7.707
  562   1HB   ASP  76          HB2       ASP  76   3.769  11.913  -7.816
  563   2HB   ASP  76          HB3       ASP  76   2.266  12.158  -8.722
  564    H    LEU  77           H        LEU  77   0.589  14.215  -8.050
  565    HA   LEU  77           HA       LEU  77   0.563  16.213 -10.218
  566   1HB   LEU  77          HB2       LEU  77   0.601  14.118 -11.353
  567   2HB   LEU  77          HB3       LEU  77  -0.555  13.400 -10.224
  568    HG   LEU  77           HG       LEU  77  -2.321  14.898 -11.084
  569   1HD1  LEU  77          HD11      LEU  77  -0.442  15.563 -13.379
  570   2HD1  LEU  77          HD12      LEU  77  -2.097  16.122 -13.141
  571   3HD1  LEU  77          HD13      LEU  77  -0.830  16.704 -12.069
  572   1HD2  LEU  77          HD21      LEU  77  -2.010  12.582 -11.923
  573   2HD2  LEU  77          HD22      LEU  77  -2.704  13.646 -13.154
  574   3HD2  LEU  77          HD23      LEU  77  -0.987  13.191 -13.230
  575    H    VAL  78           H        VAL  78  -1.161  17.467 -10.188
  576    HA   VAL  78           HA       VAL  78  -3.360  16.989  -8.237
  577    HB   VAL  78           HB       VAL  78  -2.086  19.650  -9.017
  578   1HG1  VAL  78          HG11      VAL  78  -4.511  19.813  -8.459
  579   2HG1  VAL  78          HG12      VAL  78  -4.195  19.017  -6.901
  580   3HG1  VAL  78          HG13      VAL  78  -3.504  20.618  -7.264
  581   1HG2  VAL  78          HG21      VAL  78  -1.192  19.794  -6.759
  582   2HG2  VAL  78          HG22      VAL  78  -1.862  18.179  -6.360
  583   3HG2  VAL  78          HG23      VAL  78  -0.564  18.363  -7.551
  584    H    VAL  79           H        VAL  79  -5.424  17.326  -9.190
  585    HA   VAL  79           HA       VAL  79  -5.427  18.215 -12.035
  586    HB   VAL  79           HB       VAL  79  -6.882  15.767 -11.006
  587   1HG1  VAL  79          HG11      VAL  79  -8.034  16.991 -12.833
  588   2HG1  VAL  79          HG12      VAL  79  -6.550  16.928 -13.806
  589   3HG1  VAL  79          HG13      VAL  79  -7.427  15.428 -13.399
  590   1HG2  VAL  79          HG21      VAL  79  -4.555  15.164 -11.162
  591   2HG2  VAL  79          HG22      VAL  79  -5.393  14.480 -12.552
  592   3HG2  VAL  79          HG23      VAL  79  -4.407  15.943 -12.759
  593    H    THR  80           H        THR  80  -6.584  20.043 -11.996
  594    HA   THR  80           HA       THR  80  -8.714  20.356  -9.963
  595    HB   THR  80           HB       THR  80  -8.595  22.729 -10.588
  596    HG1  THR  80           HG1      THR  80  -7.889  22.409 -12.730
  597   1HG2  THR  80          HG21      THR  80  -5.826  21.547 -10.016
  598   2HG2  THR  80          HG22      THR  80  -6.354  23.190  -9.653
  599   3HG2  THR  80          HG23      THR  80  -7.084  21.844  -8.799
  600    H    LEU  81           H        LEU  81 -10.494  19.359 -10.637
  601    HA   LEU  81           HA       LEU  81 -10.947  18.662 -13.363
  602   1HB   LEU  81          HB2       LEU  81 -12.767  18.534 -10.939
  603   2HB   LEU  81          HB3       LEU  81 -13.105  17.734 -12.469
  604    HG   LEU  81           HG       LEU  81 -10.650  17.149 -10.747
  605   1HD1  LEU  81          HD11      LEU  81 -13.244  15.587 -10.979
  606   2HD1  LEU  81          HD12      LEU  81 -11.814  15.166 -10.004
  607   3HD1  LEU  81          HD13      LEU  81 -12.764  16.602  -9.596
  608   1HD2  LEU  81          HD21      LEU  81 -10.289  16.515 -13.087
  609   2HD2  LEU  81          HD22      LEU  81 -10.539  15.061 -12.118
  610   3HD2  LEU  81          HD23      LEU  81 -11.846  15.682 -13.143
  611    H    CYS  82           H        CYS  82 -11.494  21.756 -12.094
  612    HA   CYS  82           HA       CYS  82 -13.209  22.300 -14.340
  613   1HB   CYS  82          HB2       CYS  82 -15.013  23.392 -13.157
  614   2HB   CYS  82          HB3       CYS  82 -14.870  21.715 -12.591
  615    HG   CYS  82           HG       CYS  82 -13.487  22.221 -10.477
  616    H    GLY  83           H        GLY  83 -13.334  24.661 -14.752
  617   1HA   GLY  83          HA1       GLY  83 -10.725  25.627 -14.818
  618   2HA   GLY  83          HA2       GLY  83 -12.177  26.561 -15.215
  619    H    ASP  84           H        ASP  84 -13.443  26.690 -12.672
  620    HA   ASP  84           HA       ASP  84 -11.932  28.825 -11.497
  621   1HB   ASP  84          HB2       ASP  84 -14.395  28.717 -11.449
  622   2HB   ASP  84          HB3       ASP  84 -14.316  27.318 -10.375
  623    H    ALA  85           H        ALA  85 -12.210  25.347 -10.713
  624    HA   ALA  85           HA       ALA  85 -10.968  25.564  -8.142
  625   1HB   ALA  85          HB1       ALA  85 -10.597  23.124  -8.323
  626   2HB   ALA  85          HB2       ALA  85 -12.258  23.563  -8.731
  627   3HB   ALA  85          HB3       ALA  85 -11.096  23.168 -10.024
  628    H    ALA  86           H        ALA  86  -9.649  25.740 -11.377
  629    HA   ALA  86           HA       ALA  86  -7.050  24.762 -10.809
  630   1HB   ALA  86          HB1       ALA  86  -7.810  26.865 -12.850
  631   2HB   ALA  86          HB2       ALA  86  -6.388  25.806 -12.869
  632   3HB   ALA  86          HB3       ALA  86  -8.008  25.104 -13.084
  633    H    ASP  87           H        ASP  87  -8.561  27.761  -9.847
  634    HA   ASP  87           HA       ASP  87  -6.129  29.224  -9.373
  635   1HB   ASP  87          HB2       ASP  87  -8.315  30.330  -9.591
  636   2HB   ASP  87          HB3       ASP  87  -8.905  29.472  -8.162
  637    H    LYS  88           H        LYS  88  -7.906  26.719  -7.619
  638    HA   LYS  88           HA       LYS  88  -6.731  27.522  -5.056
  639   1HB   LYS  88          HB2       LYS  88  -9.158  26.812  -5.386
  640   2HB   LYS  88          HB3       LYS  88  -8.557  25.160  -5.565
  641   1HG   LYS  88          HG2       LYS  88  -9.256  25.403  -3.317
  642   2HG   LYS  88          HG3       LYS  88  -7.494  25.422  -3.256
  643   1HD   LYS  88          HD2       LYS  88  -7.473  27.855  -2.979
  644   2HD   LYS  88          HD3       LYS  88  -9.228  27.938  -3.268
  645   1HE   LYS  88          HE2       LYS  88  -9.629  26.544  -1.276
  646   2HE   LYS  88          HE3       LYS  88  -7.888  26.443  -0.975
  647   1HZ   LYS  88          HZ1       LYS  88  -7.874  28.852  -0.635
  648   2HZ   LYS  88          HZ2       LYS  88  -9.482  28.947  -0.913
  649   3HZ   LYS  88          HZ3       LYS  88  -8.923  28.151   0.391
  650    H    CYS  89           H        CYS  89  -4.592  27.087  -6.218
  651    HA   CYS  89           HA       CYS  89  -3.619  24.451  -5.200
  652   1HB   CYS  89          HB2       CYS  89  -2.723  25.874  -7.730
  653   2HB   CYS  89          HB3       CYS  89  -1.865  24.530  -6.970
  654    HG   CYS  89           HG       CYS  89  -4.033  22.920  -6.916
  655    HA   PRO  90           HA       PRO  90  -2.231  28.203  -2.921
  656   1HB   PRO  90          HB2       PRO  90  -1.498  26.663  -0.604
  657   2HB   PRO  90          HB3       PRO  90  -2.892  27.751  -0.855
  658   1HG   PRO  90          HG2       PRO  90  -2.723  24.777  -1.152
  659   2HG   PRO  90          HG3       PRO  90  -4.133  25.769  -0.677
  660   1HD   PRO  90          HD2       PRO  90  -3.966  24.678  -3.135
  661   2HD   PRO  90          HD3       PRO  90  -4.622  26.319  -2.913
  662    H    MET  91           H        MET  91  -0.356  25.173  -3.170
  663    HA   MET  91           HA       MET  91   1.826  26.648  -4.262
  664   1HB   MET  91          HB2       MET  91   2.408  27.003  -1.893
  665   2HB   MET  91          HB3       MET  91   2.251  25.285  -1.559
  666   1HG   MET  91          HG2       MET  91   4.603  26.097  -1.765
  667   2HG   MET  91          HG3       MET  91   4.198  24.759  -2.817
  668   1HE   MET  91          HE1       MET  91   3.399  28.653  -3.361
  669   2HE   MET  91          HE2       MET  91   4.991  28.586  -2.569
  670   3HE   MET  91          HE3       MET  91   4.858  29.126  -4.256
  671    H    THR  92           H        THR  92   2.611  25.344  -5.852
  672    HA   THR  92           HA       THR  92   2.608  22.402  -5.541
  673    HB   THR  92           HB       THR  92   1.680  22.235  -7.899
  674    HG1  THR  92           HG1      THR  92   1.839  24.479  -8.416
  675   1HG2  THR  92          HG21      THR  92  -0.254  23.364  -5.857
  676   2HG2  THR  92          HG22      THR  92  -0.624  22.299  -7.231
  677   3HG2  THR  92          HG23      THR  92   0.343  21.697  -5.881
  678    HA   PRO  93           HA       PRO  93   6.702  24.087  -6.915
  679   1HB   PRO  93          HB2       PRO  93   7.416  21.397  -5.736
  680   2HB   PRO  93          HB3       PRO  93   8.284  22.957  -5.581
  681   1HG   PRO  93          HG2       PRO  93   6.769  22.044  -3.539
  682   2HG   PRO  93          HG3       PRO  93   6.687  23.776  -4.006
  683   1HD   PRO  93          HD2       PRO  93   4.791  21.540  -4.753
  684   2HD   PRO  93          HD3       PRO  93   4.412  23.178  -4.171
  685    HA   PRO  94           HA       PRO  94   7.295  21.801 -10.724
  686   1HB   PRO  94          HB2       PRO  94  10.075  21.048  -9.798
  687   2HB   PRO  94          HB3       PRO  94   9.552  21.677 -11.393
  688   1HG   PRO  94          HG2       PRO  94  10.697  23.344  -9.597
  689   2HG   PRO  94          HG3       PRO  94   9.243  23.878 -10.503
  690   1HD   PRO  94          HD2       PRO  94   9.415  22.821  -7.677
  691   2HD   PRO  94          HD3       PRO  94   8.472  24.205  -8.311
  692    H    HIS  95           H        HIS  95   8.230  20.056  -7.767
  693    HA   HIS  95           HA       HIS  95   8.110  17.402  -8.853
  694   1HB   HIS  95          HB2       HIS  95   7.710  18.340  -5.984
  695   2HB   HIS  95          HB3       HIS  95   8.145  16.716  -6.505
  696    HD1  HIS  95           HD1      HIS  95  10.666  16.840  -8.084
  697    HD2  HIS  95           HD2      HIS  95   9.749  19.689  -5.119
  698    HE1  HIS  95           HE1      HIS  95  12.870  17.931  -7.434
  699    H    VAL  96           H        VAL  96   5.612  19.606  -8.538
  700    HA   VAL  96           HA       VAL  96   3.469  17.600  -8.062
  701    HB   VAL  96           HB       VAL  96   3.600  20.480  -7.046
  702   1HG1  VAL  96          HG11      VAL  96   1.340  19.667  -7.462
  703   2HG1  VAL  96          HG12      VAL  96   1.647  18.233  -6.464
  704   3HG1  VAL  96          HG13      VAL  96   1.640  19.845  -5.727
  705   1HG2  VAL  96          HG21      VAL  96   5.241  19.367  -5.729
  706   2HG2  VAL  96          HG22      VAL  96   3.776  19.477  -4.749
  707   3HG2  VAL  96          HG23      VAL  96   4.217  17.943  -5.509
  708    H    LYS  97           H        LYS  97   3.324  17.415 -10.354
  709    HA   LYS  97           HA       LYS  97   3.114  19.800 -12.019
  710   1HB   LYS  97          HB2       LYS  97   3.031  18.366 -13.855
  711   2HB   LYS  97          HB3       LYS  97   4.101  17.565 -12.717
  712   1HG   LYS  97          HG2       LYS  97   1.767  16.326 -12.065
  713   2HG   LYS  97          HG3       LYS  97   1.407  16.770 -13.745
  714   1HD   LYS  97          HD2       LYS  97   3.628  15.672 -14.384
  715   2HD   LYS  97          HD3       LYS  97   3.779  15.169 -12.689
  716   1HE   LYS  97          HE2       LYS  97   1.389  14.114 -13.085
  717   2HE   LYS  97          HE3       LYS  97   1.801  14.235 -14.801
  718   1HZ   LYS  97          HZ1       LYS  97   3.259  12.757 -12.669
  719   2HZ   LYS  97          HZ2       LYS  97   2.455  12.099 -13.934
  720   3HZ   LYS  97          HZ3       LYS  97   3.840  12.922 -14.208
  721    H    ARG  98           H        ARG  98   1.099  20.081 -13.393
  722    HA   ARG  98           HA       ARG  98  -1.350  19.460 -11.825
  723   1HB   ARG  98          HB2       ARG  98  -0.739  22.207 -12.980
  724   2HB   ARG  98          HB3       ARG  98  -2.229  21.679 -12.194
  725   1HG   ARG  98          HG2       ARG  98  -0.733  21.155 -10.129
  726   2HG   ARG  98          HG3       ARG  98   0.478  22.173 -10.914
  727   1HD   ARG  98          HD2       ARG  98  -2.383  22.967 -10.220
  728   2HD   ARG  98          HD3       ARG  98  -0.958  23.409  -9.278
  729    HE   ARG  98           HE       ARG  98  -0.248  24.467 -11.613
  730   1HH1  ARG  98          HH11      ARG  98  -3.330  24.707  -9.864
  731   2HH1  ARG  98          HH12      ARG  98  -3.815  26.195 -10.577
  732   1HH2  ARG  98          HH21      ARG  98  -0.822  26.520 -12.510
  733   2HH2  ARG  98          HH22      ARG  98  -2.295  27.289 -12.060
  734    H    GLU  99           H        GLU  99  -3.267  19.407 -13.001
  735    HA   GLU  99           HA       GLU  99  -3.206  19.891 -15.879
  736   1HB   GLU  99          HB2       GLU  99  -3.420  17.202 -14.670
  737   2HB   GLU  99          HB3       GLU  99  -4.862  17.608 -15.599
  738   1HG   GLU  99          HG2       GLU  99  -1.987  17.584 -16.569
  739   2HG   GLU  99          HG3       GLU  99  -3.265  16.448 -16.995
  740    H    HIS 100           H        HIS 100  -5.478  20.107 -16.674
  741    HA   HIS 100           HA       HIS 100  -7.301  21.128 -14.565
  742   1HB   HIS 100          HB2       HIS 100  -6.417  22.865 -16.899
  743   2HB   HIS 100          HB3       HIS 100  -7.391  23.332 -15.511
  744    HD1  HIS 100           HD1      HIS 100  -5.693  22.837 -13.060
  745    HD2  HIS 100           HD2      HIS 100  -4.027  23.802 -16.803
  746    HE1  HIS 100           HE1      HIS 100  -3.356  23.719 -12.601
  747    H    TRP 101           H        TRP 101  -9.431  21.043 -15.189
  748    HA   TRP 101           HA       TRP 101 -10.128  20.606 -18.038
  749   1HB   TRP 101          HB2       TRP 101 -11.263  18.889 -15.840
  750   2HB   TRP 101          HB3       TRP 101 -11.486  18.748 -17.584
  751    HD1  TRP 101           HD1      TRP 101  -9.341  17.610 -14.788
  752    HE1  TRP 101           HE1      TRP 101  -7.403  16.151 -15.568
  753    HE3  TRP 101           HE3      TRP 101  -9.614  18.517 -19.826
  754    HZ2  TRP 101           HZ2      TRP 101  -6.210  15.336 -18.059
  755    HZ3  TRP 101           HZ3      TRP 101  -8.022  17.410 -21.373
  756    HH2  TRP 101           HH2      TRP 101  -6.326  15.791 -20.493
  757    H    GLY 102           H        GLY 102 -12.911  20.361 -17.659
  758   1HA   GLY 102          HA1       GLY 102 -13.652  22.957 -16.375
  759   2HA   GLY 102          HA2       GLY 102 -13.894  22.686 -18.096
  760    H    PHE 103           H        PHE 103 -14.413  20.326 -15.392
  761    HA   PHE 103           HA       PHE 103 -16.972  19.642 -16.570
  762   1HB   PHE 103          HB2       PHE 103 -15.514  18.609 -14.113
  763   2HB   PHE 103          HB3       PHE 103 -17.074  18.004 -14.675
  764    HD1  PHE 103           HD1      PHE 103 -13.472  17.857 -15.222
  765    HD2  PHE 103           HD2      PHE 103 -17.303  17.161 -17.070
  766    HE1  PHE 103           HE1      PHE 103 -12.355  16.711 -17.090
  767    HE2  PHE 103           HE2      PHE 103 -16.194  15.978 -18.921
  768    HZ   PHE 103           HZ       PHE 103 -13.704  15.749 -18.956
  769    H    ASP 104           H        ASP 104 -18.664  20.841 -16.330
  770    HA   ASP 104           HA       ASP 104 -19.276  22.564 -14.100
  771   1HB   ASP 104          HB2       ASP 104 -20.222  22.845 -16.393
  772   2HB   ASP 104          HB3       ASP 104 -21.046  21.288 -16.210
  773    H    ASP 105           H        ASP 105 -21.066  22.153 -12.582
  774    HA   ASP 105           HA       ASP 105 -20.497  19.637 -11.316
  775   1HB   ASP 105          HB2       ASP 105 -20.770  21.860 -10.181
  776   2HB   ASP 105          HB3       ASP 105 -22.514  21.694 -10.417
  777    HA   PRO 106           HA       PRO 106 -23.859  17.630 -13.393
  778   1HB   PRO 106          HB2       PRO 106 -23.705  15.100 -12.301
  779   2HB   PRO 106          HB3       PRO 106 -22.542  15.730 -13.505
  780   1HG   PRO 106          HG2       PRO 106 -22.257  15.651 -10.487
  781   2HG   PRO 106          HG3       PRO 106 -21.058  15.163 -11.728
  782   1HD   PRO 106          HD2       PRO 106 -20.985  17.609 -10.526
  783   2HD   PRO 106          HD3       PRO 106 -20.554  17.408 -12.253
  784    H    ALA 107           H        ALA 107 -23.721  17.707  -9.827
  785    HA   ALA 107           HA       ALA 107 -26.346  16.627  -9.463
  786   1HB   ALA 107          HB1       ALA 107 -24.631  16.627  -7.705
  787   2HB   ALA 107          HB2       ALA 107 -24.703  18.400  -7.608
  788   3HB   ALA 107          HB3       ALA 107 -26.123  17.433  -7.161
  789    H    ARG 108           H        ARG 108 -25.220  19.775 -10.444
  790    HA   ARG 108           HA       ARG 108 -27.846  21.038  -9.874
  791   1HB   ARG 108          HB2       ARG 108 -25.137  22.205 -10.666
  792   2HB   ARG 108          HB3       ARG 108 -26.626  23.133 -10.555
  793   1HG   ARG 108          HG2       ARG 108 -25.644  23.562  -8.529
  794   2HG   ARG 108          HG3       ARG 108 -26.841  22.322  -8.134
  795   1HD   ARG 108          HD2       ARG 108 -25.052  20.620  -8.056
  796   2HD   ARG 108          HD3       ARG 108 -23.870  21.840  -8.569
  797    HE   ARG 108           HE       ARG 108 -25.130  22.796  -6.247
  798   1HH1  ARG 108          HH21      ARG 108 -22.927  20.129  -7.163
  799   2HH1  ARG 108          HH22      ARG 108 -22.139  20.096  -5.624
  800   1HH2  ARG 108          HH11      ARG 108 -24.045  22.745  -4.228
  801   2HH2  ARG 108          HH12      ARG 108 -22.743  21.643  -3.946
  802    H    ALA 109           H        ALA 109 -26.778  19.104 -12.292
  803    HA   ALA 109           HA       ALA 109 -27.358  20.643 -14.623
  804   1HB   ALA 109          HB1       ALA 109 -25.905  18.627 -14.555
  805   2HB   ALA 109          HB2       ALA 109 -27.348  17.628 -14.226
  806   3HB   ALA 109          HB3       ALA 109 -27.201  18.501 -15.763
  807    H    GLN 110           H        GLN 110 -29.545  20.354 -12.446
  808    HA   GLN 110           HA       GLN 110 -31.743  18.887 -13.337
  809   1HB   GLN 110          HB2       GLN 110 -33.103  20.320 -11.929
  810   2HB   GLN 110          HB3       GLN 110 -31.619  19.821 -11.127
  811   1HG   GLN 110          HG2       GLN 110 -30.623  22.070 -11.592
  812   2HG   GLN 110          HG3       GLN 110 -32.120  22.558 -12.393
  813   1HE2  GLN 110          HE22      GLN 110 -31.014  21.126  -9.249
  814   2HE2  GLN 110          HE21      GLN 110 -32.120  22.045  -8.260
  815    H    GLY 111           H        GLY 111 -33.694  19.508 -14.325
  816   1HA   GLY 111          HA1       GLY 111 -34.446  21.768 -15.718
  817   2HA   GLY 111          HA2       GLY 111 -33.445  20.834 -16.867
  818    H    THR 112           H        THR 112 -33.850  18.302 -16.376
  819    HA   THR 112           HA       THR 112 -36.464  17.509 -15.581
  820    HB   THR 112           HB       THR 112 -37.055  18.073 -17.859
  821    HG1  THR 112           HG1      THR 112 -38.063  16.271 -17.241
  822   1HG2  THR 112          HG21      THR 112 -34.803  16.269 -18.799
  823   2HG2  THR 112          HG22      THR 112 -36.048  17.009 -19.823
  824   3HG2  THR 112          HG23      THR 112 -34.888  18.041 -18.979
  825    H    GLU 113           H        GLU 113 -36.385  15.116 -15.181
  826    HA   GLU 113           HA       GLU 113 -33.909  14.590 -13.928
  827   1HB   GLU 113          HB2       GLU 113 -35.985  13.650 -13.101
  828   2HB   GLU 113          HB3       GLU 113 -36.212  12.711 -14.589
  829   1HG   GLU 113          HG2       GLU 113 -34.235  11.379 -14.138
  830   2HG   GLU 113          HG3       GLU 113 -33.790  12.398 -12.761
  831    H    GLU 114           H        GLU 114 -35.181  13.464 -17.048
  832    HA   GLU 114           HA       GLU 114 -33.032  11.687 -17.560
  833   1HB   GLU 114          HB2       GLU 114 -33.796  11.644 -19.868
  834   2HB   GLU 114          HB3       GLU 114 -35.152  11.522 -18.751
  835   1HG   GLU 114          HG2       GLU 114 -35.652  13.945 -19.117
  836   2HG   GLU 114          HG3       GLU 114 -34.310  14.036 -20.263
  837    H    GLU 115           H        GLU 115 -33.292  15.199 -17.912
  838    HA   GLU 115           HA       GLU 115 -30.977  15.462 -19.607
  839   1HB   GLU 115          HB2       GLU 115 -32.739  17.165 -19.600
  840   2HB   GLU 115          HB3       GLU 115 -32.439  17.498 -17.894
  841   1HG   GLU 115          HG2       GLU 115 -31.417  19.236 -19.066
  842   2HG   GLU 115          HG3       GLU 115 -30.091  18.220 -18.528
  843    H    LYS 116           H        LYS 116 -31.748  15.894 -16.134
  844    HA   LYS 116           HA       LYS 116 -29.239  16.522 -15.135
  845   1HB   LYS 116          HB2       LYS 116 -31.476  16.636 -14.035
  846   2HB   LYS 116          HB3       LYS 116 -31.473  14.874 -13.855
  847   1HG   LYS 116          HG2       LYS 116 -29.558  14.941 -12.442
  848   2HG   LYS 116          HG3       LYS 116 -29.291  16.674 -12.765
  849   1HD   LYS 116          HD2       LYS 116 -31.671  16.990 -11.711
  850   2HD   LYS 116          HD3       LYS 116 -31.449  15.328 -11.104
  851   1HE   LYS 116          HE2       LYS 116 -29.207  16.079 -10.176
  852   2HE   LYS 116          HE3       LYS 116 -29.591  17.718 -10.703
  853   1HZ   LYS 116          HZ1       LYS 116 -31.077  16.163  -8.654
  854   2HZ   LYS 116          HZ2       LYS 116 -30.109  17.449  -8.383
  855   3HZ   LYS 116          HZ3       LYS 116 -31.523  17.646  -9.174
  856    H    TRP 117           H        TRP 117 -30.735  13.279 -15.468
  857    HA   TRP 117           HA       TRP 117 -28.454  11.803 -14.625
  858   1HB   TRP 117          HB2       TRP 117 -30.760  10.888 -14.730
  859   2HB   TRP 117          HB3       TRP 117 -30.689  10.919 -16.493
  860    HD1  TRP 117           HD1      TRP 117 -29.217   9.050 -17.685
  861    HE1  TRP 117           HE1      TRP 117 -28.135   6.845 -16.891
  862    HE3  TRP 117           HE3      TRP 117 -29.549   9.742 -12.626
  863    HZ2  TRP 117           HZ2      TRP 117 -27.273   5.694 -14.429
  864    HZ3  TRP 117           HZ3      TRP 117 -28.448   8.151 -11.081
  865    HH2  TRP 117           HH2      TRP 117 -27.288   6.132 -11.973
  866    H    ALA 118           H        ALA 118 -29.514  12.811 -17.965
  867    HA   ALA 118           HA       ALA 118 -27.446  11.456 -19.326
  868   1HB   ALA 118          HB1       ALA 118 -29.306  12.485 -20.531
  869   2HB   ALA 118          HB2       ALA 118 -28.782  14.108 -20.024
  870   3HB   ALA 118          HB3       ALA 118 -27.773  13.151 -21.120
  871    H    PHE 119           H        PHE 119 -27.392  14.595 -17.601
  872    HA   PHE 119           HA       PHE 119 -24.750  15.269 -18.426
  873   1HB   PHE 119          HB2       PHE 119 -26.693  16.645 -17.217
  874   2HB   PHE 119          HB3       PHE 119 -25.810  16.176 -15.771
  875    HD1  PHE 119           HD1      PHE 119 -25.808  18.179 -18.855
  876    HD2  PHE 119           HD2      PHE 119 -23.445  16.994 -15.448
  877    HE1  PHE 119           HE1      PHE 119 -24.223  20.035 -19.304
  878    HE2  PHE 119           HE2      PHE 119 -21.902  18.897 -15.852
  879    HZ   PHE 119           HZ       PHE 119 -22.273  20.393 -17.820
  880    H    PHE 120           H        PHE 120 -26.001  13.389 -15.593
  881    HA   PHE 120           HA       PHE 120 -23.533  12.957 -14.259
  882   1HB   PHE 120          HB2       PHE 120 -25.682  10.849 -14.605
  883   2HB   PHE 120          HB3       PHE 120 -24.420  10.906 -13.410
  884    HD1  PHE 120           HD1      PHE 120 -25.556  14.254 -13.339
  885    HD2  PHE 120           HD2      PHE 120 -26.791  10.229 -12.386
  886    HE1  PHE 120           HE1      PHE 120 -27.199  15.128 -11.736
  887    HE2  PHE 120           HE2      PHE 120 -28.478  11.129 -10.808
  888    HZ   PHE 120           HZ       PHE 120 -28.693  13.583 -10.485
  889    H    GLN 121           H        GLN 121 -25.120  11.180 -16.977
  890    HA   GLN 121           HA       GLN 121 -23.132   9.213 -17.344
  891   1HB   GLN 121          HB2       GLN 121 -25.077  10.415 -19.356
  892   2HB   GLN 121          HB3       GLN 121 -24.063   9.026 -19.684
  893   1HG   GLN 121          HG2       GLN 121 -26.155   9.169 -17.471
  894   2HG   GLN 121          HG3       GLN 121 -26.382   8.407 -19.039
  895   1HE2  GLN 121          HE22      GLN 121 -25.891   7.573 -15.923
  896   2HE2  GLN 121          HE21      GLN 121 -24.923   6.133 -16.138
  897    H    ARG 122           H        ARG 122 -23.474  12.373 -19.008
  898    HA   ARG 122           HA       ARG 122 -21.167  12.050 -20.647
  899   1HB   ARG 122          HB2       ARG 122 -22.770  14.454 -19.729
  900   2HB   ARG 122          HB3       ARG 122 -21.174  14.720 -20.419
  901   1HG   ARG 122          HG2       ARG 122 -22.708  14.938 -22.202
  902   2HG   ARG 122          HG3       ARG 122 -21.806  13.438 -22.450
  903   1HD   ARG 122          HD2       ARG 122 -23.762  12.184 -21.465
  904   2HD   ARG 122          HD3       ARG 122 -24.642  13.730 -21.387
  905    HE   ARG 122           HE       ARG 122 -23.804  13.513 -24.015
  906   1HH1  ARG 122          HH11      ARG 122 -25.801  11.572 -21.833
  907   2HH1  ARG 122          HH12      ARG 122 -26.805  10.918 -23.080
  908   1HH2  ARG 122          HH21      ARG 122 -25.136  12.653 -25.696
  909   2HH2  ARG 122          HH22      ARG 122 -26.415  11.561 -25.330
  910    H    VAL 123           H        VAL 123 -21.485  13.644 -17.420
  911    HA   VAL 123           HA       VAL 123 -18.706  14.294 -17.370
  912    HB   VAL 123           HB       VAL 123 -20.774  14.133 -15.132
  913   1HG1  VAL 123          HG11      VAL 123 -19.212  15.569 -13.821
  914   2HG1  VAL 123          HG12      VAL 123 -18.541  13.960 -14.106
  915   3HG1  VAL 123          HG13      VAL 123 -17.967  15.338 -15.070
  916   1HG2  VAL 123          HG21      VAL 123 -19.585  16.508 -16.666
  917   2HG2  VAL 123          HG22      VAL 123 -21.227  15.881 -16.864
  918   3HG2  VAL 123          HG23      VAL 123 -20.747  16.622 -15.336
  919    H    ARG 124           H        ARG 124 -20.421  11.350 -15.920
  920    HA   ARG 124           HA       ARG 124 -17.970  10.461 -14.810
  921   1HB   ARG 124          HB2       ARG 124 -18.911   8.275 -14.530
  922   2HB   ARG 124          HB3       ARG 124 -20.166   9.459 -14.157
  923   1HG   ARG 124          HG2       ARG 124 -21.190   9.012 -16.373
  924   2HG   ARG 124          HG3       ARG 124 -19.920   7.830 -16.722
  925   1HD   ARG 124          HD2       ARG 124 -20.643   6.548 -14.683
  926   2HD   ARG 124          HD3       ARG 124 -22.040   7.638 -14.558
  927    HE   ARG 124           HE       ARG 124 -22.057   6.749 -17.189
  928   1HH1  ARG 124          HH21      ARG 124 -22.314   5.116 -14.026
  929   2HH1  ARG 124          HH22      ARG 124 -23.053   3.704 -14.711
  930   1HH2  ARG 124          HH11      ARG 124 -23.299   5.030 -17.960
  931   2HH2  ARG 124          HH12      ARG 124 -23.538   3.604 -17.007
  932    H    ASP 125           H        ASP 125 -19.351   9.893 -18.048
  933    HA   ASP 125           HA       ASP 125 -17.420   8.009 -18.883
  934   1HB   ASP 125          HB2       ASP 125 -19.481   8.389 -20.133
  935   2HB   ASP 125          HB3       ASP 125 -18.989  10.043 -20.514
  936    H    GLU 126           H        GLU 126 -17.444  11.620 -19.182
  937    HA   GLU 126           HA       GLU 126 -14.914  11.608 -20.490
  938   1HB   GLU 126          HB2       GLU 126 -16.739  13.735 -19.458
  939   2HB   GLU 126          HB3       GLU 126 -15.062  14.150 -19.823
  940   1HG   GLU 126          HG2       GLU 126 -16.698  12.636 -21.849
  941   2HG   GLU 126          HG3       GLU 126 -16.845  14.384 -21.681
  942    H    ILE 127           H        ILE 127 -15.843  11.927 -17.031
  943    HA   ILE 127           HA       ILE 127 -13.217  12.735 -16.214
  944    HB   ILE 127           HB       ILE 127 -15.657  12.349 -14.895
  945   1HG1  ILE 127          HG12      ILE 127 -14.393  13.027 -12.815
  946   2HG1  ILE 127          HG13      ILE 127 -12.913  12.975 -13.782
  947   1HG2  ILE 127          HG21      ILE 127 -15.299  10.046 -14.499
  948   2HG2  ILE 127          HG22      ILE 127 -13.751  10.379 -13.662
  949   3HG2  ILE 127          HG23      ILE 127 -15.288  10.954 -12.984
  950   1HD1  ILE 127          HD11      ILE 127 -15.420  14.596 -14.485
  951   2HD1  ILE 127          HD12      ILE 127 -14.017  15.264 -13.632
  952   3HD1  ILE 127          HD13      ILE 127 -13.844  14.679 -15.304
  953    H    GLY 128           H        GLY 128 -14.737   9.502 -16.687
  954   1HA   GLY 128          HA1       GLY 128 -12.472   7.945 -16.009
  955   2HA   GLY 128          HA2       GLY 128 -13.756   7.491 -17.157
  956    H    ASN 129           H        ASN 129 -13.479   9.415 -19.119
  957    HA   ASN 129           HA       ASN 129 -11.367   8.438 -20.692
  958   1HB   ASN 129          HB2       ASN 129 -13.582   9.470 -21.395
  959   2HB   ASN 129          HB3       ASN 129 -12.857  11.040 -21.045
  960   1HD2  ASN 129          HD21      ASN 129 -13.329  11.599 -23.194
  961   2HD2  ASN 129          HD22      ASN 129 -12.368  10.996 -24.550
  962    H    ARG 130           H        ARG 130 -11.557  11.501 -18.828
  963    HA   ARG 130           HA       ARG 130  -9.066  12.624 -19.617
  964   1HB   ARG 130          HB2       ARG 130 -10.278  12.701 -16.816
  965   2HB   ARG 130          HB3       ARG 130  -8.986  13.717 -17.402
  966   1HG   ARG 130          HG2       ARG 130 -11.942  13.940 -17.929
  967   2HG   ARG 130          HG3       ARG 130 -10.831  15.043 -17.180
  968   1HD   ARG 130          HD2       ARG 130 -11.295  16.026 -19.242
  969   2HD   ARG 130          HD3       ARG 130  -9.691  15.317 -19.399
  970    HE   ARG 130           HE       ARG 130 -12.194  13.999 -20.415
  971   1HH1  ARG 130          HH21      ARG 130  -8.810  14.974 -20.958
  972   2HH1  ARG 130          HH22      ARG 130  -8.625  13.998 -22.387
  973   1HH2  ARG 130          HH11      ARG 130 -12.064  13.069 -22.471
  974   2HH2  ARG 130          HH12      ARG 130 -10.468  12.836 -23.208
  975    H    LEU 131           H        LEU 131  -9.864  10.331 -16.998
  976    HA   LEU 131           HA       LEU 131  -7.172  10.233 -16.006
  977   1HB   LEU 131          HB2       LEU 131  -9.735   8.700 -15.535
  978   2HB   LEU 131          HB3       LEU 131  -8.236   8.179 -14.776
  979    HG   LEU 131           HG       LEU 131  -8.048   9.999 -13.404
  980   1HD1  LEU 131          HD11      LEU 131  -9.164  12.140 -13.469
  981   2HD1  LEU 131          HD12      LEU 131  -8.344  11.934 -15.016
  982   3HD1  LEU 131          HD13      LEU 131 -10.093  11.694 -14.881
  983   1HD2  LEU 131          HD21      LEU 131 -10.197  10.298 -12.326
  984   2HD2  LEU 131          HD22      LEU 131 -11.064   9.799 -13.793
  985   3HD2  LEU 131          HD23      LEU 131 -10.065   8.632 -12.918
  986    H    LYS 132           H        LYS 132  -9.074   8.064 -18.120
  987    HA   LYS 132           HA       LYS 132  -7.060   6.146 -18.593
  988   1HB   LYS 132          HB2       LYS 132  -9.267   5.678 -19.274
  989   2HB   LYS 132          HB3       LYS 132  -9.468   7.195 -20.111
  990   1HG   LYS 132          HG2       LYS 132  -7.457   5.237 -21.222
  991   2HG   LYS 132          HG3       LYS 132  -9.179   4.883 -21.377
  992   1HD   LYS 132          HD2       LYS 132  -9.524   7.177 -22.371
  993   2HD   LYS 132          HD3       LYS 132  -7.776   7.366 -22.467
  994   1HE   LYS 132          HE2       LYS 132  -9.300   5.045 -23.728
  995   2HE   LYS 132          HE3       LYS 132  -9.028   6.578 -24.559
  996   1HZ   LYS 132          HZ1       LYS 132  -7.363   4.949 -25.145
  997   2HZ   LYS 132          HZ2       LYS 132  -6.651   6.204 -24.391
  998   3HZ   LYS 132          HZ3       LYS 132  -6.867   4.778 -23.599
  999    H    GLU 133           H        GLU 133  -7.652   9.261 -20.290
 1000    HA   GLU 133           HA       GLU 133  -5.465   8.903 -22.086
 1001   1HB   GLU 133          HB2       GLU 133  -6.834  11.396 -20.999
 1002   2HB   GLU 133          HB3       GLU 133  -5.429  11.483 -22.073
 1003   1HG   GLU 133          HG2       GLU 133  -6.577  10.385 -23.861
 1004   2HG   GLU 133          HG3       GLU 133  -7.961   9.992 -22.832
 1005    H    PHE 134           H        PHE 134  -5.468  10.738 -18.886
 1006    HA   PHE 134           HA       PHE 134  -2.709  11.187 -19.326
 1007   1HB   PHE 134          HB2       PHE 134  -2.521  12.249 -17.326
 1008   2HB   PHE 134          HB3       PHE 134  -4.163  12.568 -17.838
 1009    HD1  PHE 134           HD1      PHE 134  -5.777  12.503 -16.134
 1010    HD2  PHE 134           HD2      PHE 134  -2.162  10.195 -15.648
 1011    HE1  PHE 134           HE1      PHE 134  -6.465  11.858 -13.833
 1012    HE2  PHE 134           HE2      PHE 134  -2.913   9.489 -13.406
 1013    HZ   PHE 134           HZ       PHE 134  -5.116  10.246 -12.537
 1014    H    ALA 135           H        ALA 135  -4.322   8.372 -17.946
 1015    HA   ALA 135           HA       ALA 135  -1.960   7.247 -16.806
 1016   1HB   ALA 135          HB1       ALA 135  -4.235   6.506 -16.173
 1017   2HB   ALA 135          HB2       ALA 135  -4.496   5.885 -17.819
 1018   3HB   ALA 135          HB3       ALA 135  -3.265   5.148 -16.776
 1019    H    GLU 136           H        GLU 136  -3.545   6.802 -19.999
 1020    HA   GLU 136           HA       GLU 136  -1.507   4.881 -20.745
 1021   1HB   GLU 136          HB2       GLU 136  -3.867   5.987 -22.300
 1022   2HB   GLU 136          HB3       GLU 136  -2.756   4.736 -22.881
 1023   1HG   GLU 136          HG2       GLU 136  -3.317   3.460 -20.689
 1024   2HG   GLU 136          HG3       GLU 136  -4.689   4.557 -20.550
 1025    H    THR 137           H        THR 137  -2.150   8.277 -21.492
 1026    HA   THR 137           HA       THR 137  -0.154   8.251 -23.570
 1027    HB   THR 137           HB       THR 137  -0.927  10.413 -24.145
 1028    HG1  THR 137           HG1      THR 137  -2.618  10.265 -21.887
 1029   1HG2  THR 137          HG21      THR 137  -2.262   8.482 -24.916
 1030   2HG2  THR 137          HG22      THR 137  -3.302   8.609 -23.489
 1031   3HG2  THR 137          HG23      THR 137  -3.268   9.926 -24.685
 1032    H    GLY 138           H        GLY 138  -0.236   8.897 -20.201
 1033   1HA   GLY 138          HA1       GLY 138   1.357   9.657 -18.740
 1034   2HA   GLY 138          HA2       GLY 138   2.534   9.709 -20.065
 1035    H    LYS 139           H        LYS 139  -0.570  11.382 -20.151
 1036    HA   LYS 139           HA       LYS 139   0.373  13.832 -21.035
 1037   1HB   LYS 139          HB2       LYS 139  -1.980  12.862 -21.041
 1038   2HB   LYS 139          HB3       LYS 139  -2.142  13.430 -19.375
 1039   1HG   LYS 139          HG2       LYS 139  -2.010  15.694 -19.998
 1040   2HG   LYS 139          HG3       LYS 139  -1.354  15.333 -21.600
 1041   1HD   LYS 139          HD2       LYS 139  -4.179  14.570 -20.722
 1042   2HD   LYS 139          HD3       LYS 139  -3.761  16.049 -21.606
 1043   1HE   LYS 139          HE2       LYS 139  -2.714  14.595 -23.398
 1044   2HE   LYS 139          HE3       LYS 139  -3.379  13.176 -22.588
 1045   1HZ   LYS 139          HZ1       LYS 139  -4.746  14.033 -24.431
 1046   2HZ   LYS 139          HZ2       LYS 139  -5.611  13.985 -23.065
 1047   3HZ   LYS 139          HZ3       LYS 139  -5.024  15.417 -23.631
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1   0.098  -0.643  -1.822
    2   2H    MET   1           H2       MET   1   0.598  -1.609  -0.582
    3   3H    MET   1           H3       MET   1  -0.165  -0.188  -0.267
    4    HA   MET   1           HA       MET   1   2.220  -0.040   0.119
    5   1HB   MET   1          HB2       MET   1   2.349  -0.439  -2.911
    6   2HB   MET   1          HB3       MET   1   3.694   0.055  -1.885
    7   1HG   MET   1          HG2       MET   1   3.531  -2.069  -0.622
    8   2HG   MET   1          HG3       MET   1   2.254  -2.609  -1.721
    9   1HE   MET   1          HE1       MET   1   3.586  -4.837  -2.182
   10   2HE   MET   1          HE2       MET   1   5.285  -4.883  -2.704
   11   3HE   MET   1          HE3       MET   1   4.872  -4.292  -1.079
   12    H    GLU   2           H        GLU   2   3.531   1.942  -1.219
   13    HA   GLU   2           HA       GLU   2   1.652   4.055  -2.036
   14   1HB   GLU   2          HB2       GLU   2   3.788   4.296   0.146
   15   2HB   GLU   2          HB3       GLU   2   3.019   5.671  -0.652
   16   1HG   GLU   2          HG2       GLU   2   0.833   5.018   0.234
   17   2HG   GLU   2          HG3       GLU   2   1.529   3.586   0.998
   18    H    ASN   3           H        ASN   3   2.795   5.479  -3.545
   19    HA   ASN   3           HA       ASN   3   5.610   5.095  -4.091
   20   1HB   ASN   3          HB2       ASN   3   5.016   3.087  -5.175
   21   2HB   ASN   3          HB3       ASN   3   3.598   3.794  -5.917
   22   1HD2  ASN   3          HD22      ASN   3   3.811   4.755  -7.928
   23   2HD2  ASN   3          HD21      ASN   3   5.357   4.920  -8.769
   24    H    LYS   4           H        LYS   4   2.498   6.250  -5.417
   25    HA   LYS   4           HA       LYS   4   3.689   8.960  -5.727
   26   1HB   LYS   4          HB2       LYS   4   2.051   7.438  -7.800
   27   2HB   LYS   4          HB3       LYS   4   2.138   9.197  -7.794
   28   1HG   LYS   4          HG2       LYS   4   4.563   9.172  -8.041
   29   2HG   LYS   4          HG3       LYS   4   4.585   7.409  -8.007
   30   1HD   LYS   4          HD2       LYS   4   3.250   9.133 -10.141
   31   2HD   LYS   4          HD3       LYS   4   4.788   8.258 -10.285
   32   1HE   LYS   4          HE2       LYS   4   3.464   6.128  -9.725
   33   2HE   LYS   4          HE3       LYS   4   1.998   7.081  -9.953
   34   1HZ   LYS   4          HZ1       LYS   4   2.769   5.792 -11.929
   35   2HZ   LYS   4          HZ2       LYS   4   2.589   7.405 -12.236
   36   3HZ   LYS   4          HZ3       LYS   4   4.082   6.751 -12.042
   37    H    ILE   5           H        ILE   5   1.810  10.581  -5.965
   38    HA   ILE   5           HA       ILE   5  -0.666   9.747  -4.573
   39    HB   ILE   5           HB       ILE   5   1.188  12.031  -3.791
   40   1HG1  ILE   5          HG12      ILE   5   0.108   9.773  -2.067
   41   2HG1  ILE   5          HG13      ILE   5   1.723   9.823  -2.770
   42   1HG2  ILE   5          HG21      ILE   5  -1.126  12.895  -3.826
   43   2HG2  ILE   5          HG22      ILE   5  -1.674  11.505  -2.883
   44   3HG2  ILE   5          HG23      ILE   5  -0.602  12.736  -2.163
   45   1HD1  ILE   5          HD11      ILE   5   2.178  11.940  -1.502
   46   2HD1  ILE   5          HD12      ILE   5   0.634  11.697  -0.647
   47   3HD1  ILE   5          HD13      ILE   5   1.921  10.498  -0.501
   48    H    ILE   6           H        ILE   6  -2.371  10.563  -5.696
   49    HA   ILE   6           HA       ILE   6  -1.950  12.875  -7.505
   50    HB   ILE   6           HB       ILE   6  -2.070  11.091  -8.996
   51   1HG1  ILE   6          HG12      ILE   6  -4.889  12.233  -8.774
   52   2HG1  ILE   6          HG13      ILE   6  -3.500  13.015  -9.530
   53   1HG2  ILE   6          HG21      ILE   6  -3.741   9.284  -8.992
   54   2HG2  ILE   6          HG22      ILE   6  -2.828   9.276  -7.502
   55   3HG2  ILE   6          HG23      ILE   6  -4.468   9.950  -7.513
   56   1HD1  ILE   6          HD11      ILE   6  -4.965  10.518 -10.461
   57   2HD1  ILE   6          HD12      ILE   6  -4.823  12.072 -11.286
   58   3HD1  ILE   6          HD13      ILE   6  -3.397  11.024 -11.137
   59    H    TYR   7           H        TYR   7  -3.409  14.505  -7.071
   60    HA   TYR   7           HA       TYR   7  -5.516  13.953  -5.040
   61   1HB   TYR   7          HB2       TYR   7  -3.364  14.916  -4.202
   62   2HB   TYR   7          HB3       TYR   7  -3.641  16.333  -5.205
   63    HD1  TYR   7           HD1      TYR   7  -3.788  18.015  -3.590
   64    HD2  TYR   7           HD2      TYR   7  -6.147  14.444  -3.052
   65    HE1  TYR   7           HE1      TYR   7  -4.696  18.911  -1.454
   66    HE2  TYR   7           HE2      TYR   7  -7.084  15.374  -0.958
   67    HH   TYR   7           HH       TYR   7  -5.743  18.413   0.425
   68    H    PHE   8           H        PHE   8  -7.449  14.210  -6.024
   69    HA   PHE   8           HA       PHE   8  -7.769  16.020  -8.306
   70   1HB   PHE   8          HB2       PHE   8  -9.715  14.257  -6.759
   71   2HB   PHE   8          HB3       PHE   8 -10.175  15.278  -8.118
   72    HD1  PHE   8           HD1      PHE   8  -9.048  14.951 -10.372
   73    HD2  PHE   8           HD2      PHE   8  -8.683  12.099  -7.159
   74    HE1  PHE   8           HE1      PHE   8  -8.204  13.254 -11.977
   75    HE2  PHE   8           HE2      PHE   8  -7.829  10.412  -8.774
   76    HZ   PHE   8           HZ       PHE   8  -7.574  10.996 -11.167
   77    H    LEU   9           H        LEU   9  -8.840  17.947  -8.342
   78    HA   LEU   9           HA       LEU   9  -9.732  19.204  -5.802
   79   1HB   LEU   9          HB2       LEU   9  -7.328  19.765  -7.401
   80   2HB   LEU   9          HB3       LEU   9  -8.426  21.107  -7.552
   81    HG   LEU   9           HG       LEU   9  -6.858  21.521  -5.793
   82   1HD1  LEU   9          HD11      LEU   9  -9.491  20.973  -4.393
   83   2HD1  LEU   9          HD12      LEU   9  -8.333  22.282  -4.111
   84   3HD1  LEU   9          HD13      LEU   9  -9.289  22.283  -5.586
   85   1HD2  LEU   9          HD21      LEU   9  -6.601  20.164  -3.817
   86   2HD2  LEU   9          HD22      LEU   9  -7.923  19.087  -4.305
   87   3HD2  LEU   9          HD23      LEU   9  -6.409  19.118  -5.220
   88    H    CYS  10           H        CYS  10 -11.644  20.394  -6.133
   89    HA   CYS  10           HA       CYS  10 -12.261  21.416  -8.802
   90   1HB   CYS  10          HB2       CYS  10 -13.054  18.893  -8.511
   91   2HB   CYS  10          HB3       CYS  10 -14.376  19.619  -7.581
   92    HG   CYS  10           HG       CYS  10 -15.005  19.116 -10.132
   93    H    THR  11           H        THR  11 -14.487  22.718  -8.674
   94    HA   THR  11           HA       THR  11 -14.299  24.402  -6.371
   95    HB   THR  11           HB       THR  11 -16.488  25.350  -7.452
   96    HG1  THR  11           HG1      THR  11 -16.657  24.859  -9.607
   97   1HG2  THR  11          HG21      THR  11 -14.279  26.421  -7.478
   98   2HG2  THR  11          HG22      THR  11 -13.767  25.400  -8.822
   99   3HG2  THR  11          HG23      THR  11 -15.076  26.581  -9.052
  100    H    GLY  12           H        GLY  12 -15.868  21.429  -6.711
  101   1HA   GLY  12          HA1       GLY  12 -16.842  21.638  -4.010
  102   2HA   GLY  12          HA2       GLY  12 -18.133  21.336  -5.203
  103    H    ASN  13           H        ASN  13 -15.870  19.866  -3.253
  104    HA   ASN  13           HA       ASN  13 -14.708  17.806  -4.837
  105   1HB   ASN  13          HB2       ASN  13 -13.830  18.166  -2.644
  106   2HB   ASN  13          HB3       ASN  13 -15.402  18.134  -1.890
  107   1HD2  ASN  13          HD22      ASN  13 -16.458  16.138  -1.491
  108   2HD2  ASN  13          HD21      ASN  13 -15.656  14.613  -1.578
  109    H    SER  14           H        SER  14 -17.787  18.015  -3.131
  110    HA   SER  14           HA       SER  14 -18.614  15.617  -2.556
  111   1HB   SER  14          HB2       SER  14 -20.370  17.717  -3.840
  112   2HB   SER  14          HB3       SER  14 -20.839  16.538  -2.597
  113    HG   SER  14           HG       SER  14 -20.203  18.827  -1.998
  114    H    CYS  15           H        CYS  15 -18.402  16.494  -5.965
  115    HA   CYS  15           HA       CYS  15 -19.286  13.750  -6.551
  116   1HB   CYS  15          HB2       CYS  15 -20.499  14.582  -8.622
  117   2HB   CYS  15          HB3       CYS  15 -21.315  14.852  -7.082
  118    HG   CYS  15           HG       CYS  15 -20.665  17.321  -6.753
  119    H    ARG  16           H        ARG  16 -18.082  16.659  -8.340
  120    HA   ARG  16           HA       ARG  16 -16.929  15.176 -10.369
  121   1HB   ARG  16          HB2       ARG  16 -16.234  17.928  -9.284
  122   2HB   ARG  16          HB3       ARG  16 -15.413  17.272 -10.707
  123   1HG   ARG  16          HG2       ARG  16 -17.438  17.056 -11.948
  124   2HG   ARG  16          HG3       ARG  16 -18.450  17.377 -10.538
  125   1HD   ARG  16          HD2       ARG  16 -16.507  19.411 -11.692
  126   2HD   ARG  16          HD3       ARG  16 -18.193  19.288 -12.182
  127    HE   ARG  16           HE       ARG  16 -18.474  19.473  -9.490
  128   1HH1  ARG  16          HH21      ARG  16 -16.790  21.561 -11.851
  129   2HH1  ARG  16          HH22      ARG  16 -16.725  22.897 -10.729
  130   1HH2  ARG  16          HH11      ARG  16 -18.776  21.356  -8.337
  131   2HH2  ARG  16          HH12      ARG  16 -17.796  22.775  -8.691
  132    H    SER  17           H        SER  17 -15.054  16.309  -7.457
  133    HA   SER  17           HA       SER  17 -12.675  14.988  -8.265
  134   1HB   SER  17          HB2       SER  17 -13.560  15.571  -5.426
  135   2HB   SER  17          HB3       SER  17 -11.903  15.413  -6.051
  136    HG   SER  17           HG       SER  17 -12.423  17.574  -5.821
  137    H    GLN  18           H        GLN  18 -15.352  13.908  -6.138
  138    HA   GLN  18           HA       GLN  18 -14.189  11.470  -5.331
  139   1HB   GLN  18          HB2       GLN  18 -17.112  12.297  -5.656
  140   2HB   GLN  18          HB3       GLN  18 -16.591  10.852  -4.802
  141   1HG   GLN  18          HG2       GLN  18 -15.700  13.671  -4.041
  142   2HG   GLN  18          HG3       GLN  18 -17.097  12.874  -3.344
  143   1HE2  GLN  18          HE22      GLN  18 -14.143  13.723  -2.375
  144   2HE2  GLN  18          HE21      GLN  18 -13.891  12.358  -1.283
  145    H    MET  19           H        MET  19 -16.216  12.188  -8.198
  146    HA   MET  19           HA       MET  19 -16.459   9.466  -9.106
  147   1HB   MET  19          HB2       MET  19 -16.663  12.148 -10.551
  148   2HB   MET  19          HB3       MET  19 -17.040  10.590 -11.298
  149   1HG   MET  19          HG2       MET  19 -18.876  10.199  -9.811
  150   2HG   MET  19          HG3       MET  19 -18.394  11.515  -8.755
  151   1HE   MET  19          HE1       MET  19 -18.777  11.490 -12.757
  152   2HE   MET  19          HE2       MET  19 -20.105  10.500 -12.102
  153   3HE   MET  19          HE3       MET  19 -20.452  12.066 -12.870
  154    H    ALA  20           H        ALA  20 -14.173  12.156  -9.963
  155    HA   ALA  20           HA       ALA  20 -12.716  10.737 -11.904
  156   1HB   ALA  20          HB1       ALA  20 -10.985  12.391 -11.568
  157   2HB   ALA  20          HB2       ALA  20 -12.558  13.202 -11.447
  158   3HB   ALA  20          HB3       ALA  20 -11.636  12.826  -9.976
  159    H    GLU  21           H        GLU  21 -12.250  10.902  -8.369
  160    HA   GLU  21           HA       GLU  21  -9.898   9.354  -8.186
  161   1HB   GLU  21          HB2       GLU  21 -10.601  10.608  -6.346
  162   2HB   GLU  21          HB3       GLU  21 -12.213   9.872  -6.296
  163   1HG   GLU  21          HG2       GLU  21 -11.198   7.727  -5.603
  164   2HG   GLU  21          HG3       GLU  21  -9.603   8.470  -5.606
  165    H    GLY  22           H        GLY  22 -13.363   8.248  -8.036
  166   1HA   GLY  22          HA1       GLY  22 -12.837   5.531  -7.719
  167   2HA   GLY  22          HA2       GLY  22 -14.260   6.203  -8.507
  168    H    TRP  23           H        TRP  23 -13.064   7.352 -10.914
  169    HA   TRP  23           HA       TRP  23 -12.590   4.894 -12.412
  170   1HB   TRP  23          HB2       TRP  23 -12.198   7.798 -13.222
  171   2HB   TRP  23          HB3       TRP  23 -11.970   6.428 -14.287
  172    HD1  TRP  23           HD1      TRP  23 -14.662   8.484 -12.638
  173    HE1  TRP  23           HE1      TRP  23 -16.872   8.181 -13.824
  174    HE3  TRP  23           HE3      TRP  23 -13.403   4.584 -15.727
  175    HZ2  TRP  23           HZ2      TRP  23 -17.975   6.531 -15.901
  176    HZ3  TRP  23           HZ3      TRP  23 -15.058   3.735 -17.363
  177    HH2  TRP  23           HH2      TRP  23 -17.362   4.736 -17.453
  178    H    ALA  24           H        ALA  24 -10.437   7.487 -11.129
  179    HA   ALA  24           HA       ALA  24  -8.125   6.628 -12.474
  180   1HB   ALA  24          HB1       ALA  24  -8.379   8.809 -11.221
  181   2HB   ALA  24          HB2       ALA  24  -8.280   7.912  -9.706
  182   3HB   ALA  24          HB3       ALA  24  -6.888   7.944 -10.807
  183    H    LYS  25           H        LYS  25  -9.500   5.476  -9.384
  184    HA   LYS  25           HA       LYS  25  -7.316   3.853  -8.606
  185   1HB   LYS  25          HB2       LYS  25 -10.307   3.557  -8.182
  186   2HB   LYS  25          HB3       LYS  25  -9.141   2.436  -7.469
  187   1HG   LYS  25          HG2       LYS  25  -8.085   4.151  -6.165
  188   2HG   LYS  25          HG3       LYS  25  -8.930   5.440  -7.029
  189   1HD   LYS  25          HD2       LYS  25 -11.103   4.616  -6.176
  190   2HD   LYS  25          HD3       LYS  25 -10.262   3.347  -5.249
  191   1HE   LYS  25          HE2       LYS  25  -9.085   5.021  -3.919
  192   2HE   LYS  25          HE3       LYS  25  -9.647   6.314  -4.983
  193   1HZ   LYS  25          HZ1       LYS  25 -11.006   6.422  -3.149
  194   2HZ   LYS  25          HZ2       LYS  25 -11.949   5.721  -4.258
  195   3HZ   LYS  25          HZ3       LYS  25 -11.280   4.782  -3.065
  196    H    GLN  26           H        GLN  26  -9.757   3.260 -11.113
  197    HA   GLN  26           HA       GLN  26  -9.066   0.457 -11.471
  198   1HB   GLN  26          HB2       GLN  26 -10.253   2.335 -13.529
  199   2HB   GLN  26          HB3       GLN  26 -10.224   0.582 -13.563
  200   1HG   GLN  26          HG2       GLN  26 -11.724   0.567 -11.533
  201   2HG   GLN  26          HG3       GLN  26 -11.849   2.337 -11.676
  202   1HE2  GLN  26          HE22      GLN  26 -12.055   2.897 -14.265
  203   2HE2  GLN  26          HE21      GLN  26 -13.437   2.112 -15.011
  204    H    TYR  27           H        TYR  27  -8.416   3.417 -13.351
  205    HA   TYR  27           HA       TYR  27  -6.705   2.092 -15.197
  206   1HB   TYR  27          HB2       TYR  27  -7.064   5.056 -14.614
  207   2HB   TYR  27          HB3       TYR  27  -6.174   4.414 -15.984
  208    HD1  TYR  27           HD1      TYR  27  -7.448   2.686 -17.530
  209    HD2  TYR  27           HD2      TYR  27  -9.378   5.542 -14.938
  210    HE1  TYR  27           HE1      TYR  27  -9.493   2.550 -18.913
  211    HE2  TYR  27           HE2      TYR  27 -11.392   5.484 -16.371
  212    HH   TYR  27           HH       TYR  27 -11.672   3.338 -19.233
  213    H    LEU  28           H        LEU  28  -5.883   3.912 -12.250
  214    HA   LEU  28           HA       LEU  28  -3.051   4.046 -13.042
  215   1HB   LEU  28          HB2       LEU  28  -4.504   5.157 -10.607
  216   2HB   LEU  28          HB3       LEU  28  -2.866   5.503 -11.086
  217    HG   LEU  28           HG       LEU  28  -5.380   6.361 -12.527
  218   1HD1  LEU  28          HD11      LEU  28  -3.053   7.941 -11.353
  219   2HD1  LEU  28          HD12      LEU  28  -4.544   8.600 -12.057
  220   3HD1  LEU  28          HD13      LEU  28  -4.608   7.670 -10.547
  221   1HD2  LEU  28          HD21      LEU  28  -2.509   6.668 -13.496
  222   2HD2  LEU  28          HD22      LEU  28  -3.794   5.723 -14.287
  223   3HD2  LEU  28          HD23      LEU  28  -3.944   7.463 -14.180
  224    H    GLY  29           H        GLY  29  -4.990   2.498 -10.507
  225   1HA   GLY  29          HA1       GLY  29  -4.559   0.586  -9.306
  226   2HA   GLY  29          HA2       GLY  29  -3.042   0.386 -10.188
  227    H    ASP  30           H        ASP  30  -2.636  -0.342  -7.856
  228    HA   ASP  30           HA       ASP  30  -2.513   1.475  -5.712
  229   1HB   ASP  30          HB2       ASP  30  -2.670  -1.030  -5.598
  230   2HB   ASP  30          HB3       ASP  30  -0.952  -1.112  -6.015
  231    H    GLU  31           H        GLU  31  -0.406   1.291  -8.328
  232    HA   GLU  31           HA       GLU  31   2.107   2.153  -7.293
  233   1HB   GLU  31          HB2       GLU  31   1.611   1.268  -9.581
  234   2HB   GLU  31          HB3       GLU  31   0.646   2.694  -9.926
  235   1HG   GLU  31          HG2       GLU  31   2.750   4.085  -9.646
  236   2HG   GLU  31          HG3       GLU  31   3.653   2.575  -9.496
  237    H    TRP  32           H        TRP  32  -0.966   3.684  -7.151
  238    HA   TRP  32           HA       TRP  32   0.304   6.261  -6.423
  239   1HB   TRP  32          HB2       TRP  32  -2.316   6.089  -7.934
  240   2HB   TRP  32          HB3       TRP  32  -1.344   7.503  -7.594
  241    HD1  TRP  32           HD1      TRP  32  -0.908   4.250  -9.659
  242    HE1  TRP  32           HE1      TRP  32  -0.183   4.848 -12.019
  243    HE3  TRP  32           HE3      TRP  32  -0.560   9.318  -9.108
  244    HZ2  TRP  32           HZ2      TRP  32   0.237   7.225 -13.557
  245    HZ3  TRP  32           HZ3      TRP  32  -0.144  10.749 -11.072
  246    HH2  TRP  32           HH2      TRP  32   0.236   9.703 -13.335
  247    H    LYS  33           H        LYS  33  -0.849   7.368  -4.809
  248    HA   LYS  33           HA       LYS  33  -3.200   5.995  -3.578
  249   1HB   LYS  33          HB2       LYS  33  -1.429   8.243  -2.534
  250   2HB   LYS  33          HB3       LYS  33  -2.852   7.611  -1.712
  251   1HG   LYS  33          HG2       LYS  33  -0.325   6.021  -2.310
  252   2HG   LYS  33          HG3       LYS  33  -0.746   6.779  -0.778
  253   1HD   LYS  33          HD2       LYS  33  -1.263   4.540  -0.468
  254   2HD   LYS  33          HD3       LYS  33  -2.828   5.306  -0.703
  255   1HE   LYS  33          HE2       LYS  33  -3.120   4.302  -2.853
  256   2HE   LYS  33          HE3       LYS  33  -1.384   4.071  -3.067
  257   1HZ   LYS  33          HZ1       LYS  33  -2.410   1.963  -2.559
  258   2HZ   LYS  33          HZ2       LYS  33  -1.421   2.391  -1.355
  259   3HZ   LYS  33          HZ3       LYS  33  -3.054   2.542  -1.159
  260    H    VAL  34           H        VAL  34  -5.112   7.020  -3.572
  261    HA   VAL  34           HA       VAL  34  -5.282   9.344  -5.432
  262    HB   VAL  34           HB       VAL  34  -7.236   7.024  -5.362
  263   1HG1  VAL  34          HG11      VAL  34  -7.892   7.774  -7.500
  264   2HG1  VAL  34          HG12      VAL  34  -7.709   9.258  -6.550
  265   3HG1  VAL  34          HG13      VAL  34  -6.448   8.788  -7.703
  266   1HG2  VAL  34          HG21      VAL  34  -6.087   6.013  -7.328
  267   2HG2  VAL  34          HG22      VAL  34  -4.705   7.094  -7.058
  268   3HG2  VAL  34          HG23      VAL  34  -5.138   5.864  -5.847
  269    H    TYR  35           H        TYR  35  -6.178  11.012  -4.394
  270    HA   TYR  35           HA       TYR  35  -8.496  10.491  -2.629
  271   1HB   TYR  35          HB2       TYR  35  -6.860  12.741  -1.680
  272   2HB   TYR  35          HB3       TYR  35  -7.773  11.557  -0.796
  273    HD1  TYR  35           HD1      TYR  35  -6.658   9.199  -0.440
  274    HD2  TYR  35           HD2      TYR  35  -4.540  12.729  -1.729
  275    HE1  TYR  35           HE1      TYR  35  -4.541   8.254   0.447
  276    HE2  TYR  35           HE2      TYR  35  -2.454  11.839  -0.800
  277    HH   TYR  35           HH       TYR  35  -1.429  10.052   0.333
  278    H    SER  36           H        SER  36  -9.630  12.578  -2.137
  279    HA   SER  36           HA       SER  36  -9.662  14.445  -4.457
  280   1HB   SER  36          HB2       SER  36 -11.950  13.011  -3.032
  281   2HB   SER  36          HB3       SER  36 -12.150  14.272  -4.250
  282    HG   SER  36           HG       SER  36 -11.163  11.659  -4.472
  283    H    ALA  37           H        ALA  37 -10.145  16.532  -3.943
  284    HA   ALA  37           HA       ALA  37 -11.510  17.176  -1.456
  285   1HB   ALA  37          HB1       ALA  37  -9.024  17.249  -0.924
  286   2HB   ALA  37          HB2       ALA  37  -8.879  18.540  -2.155
  287   3HB   ALA  37          HB3       ALA  37  -9.927  18.748  -0.722
  288    H    GLY  38           H        GLY  38 -11.504  19.881  -1.653
  289   1HA   GLY  38          HA1       GLY  38 -11.695  20.912  -4.313
  290   2HA   GLY  38          HA2       GLY  38 -13.291  20.501  -3.665
  291    H    ILE  39           H        ILE  39 -12.982  23.030  -4.211
  292    HA   ILE  39           HA       ILE  39 -11.935  24.780  -2.214
  293    HB   ILE  39           HB       ILE  39 -14.112  24.929  -4.308
  294   1HG1  ILE  39          HG12      ILE  39 -12.710  26.720  -5.235
  295   2HG1  ILE  39          HG13      ILE  39 -11.613  26.600  -3.860
  296   1HG2  ILE  39          HG21      ILE  39 -13.566  27.169  -2.337
  297   2HG2  ILE  39          HG22      ILE  39 -14.481  27.322  -3.854
  298   3HG2  ILE  39          HG23      ILE  39 -15.099  26.290  -2.572
  299   1HD1  ILE  39          HD11      ILE  39 -10.885  24.358  -4.632
  300   2HD1  ILE  39          HD12      ILE  39 -12.055  24.457  -5.981
  301   3HD1  ILE  39          HD13      ILE  39 -10.688  25.571  -5.885
  302    H    GLU  40           H        GLU  40 -15.028  23.016  -2.503
  303    HA   GLU  40           HA       GLU  40 -15.196  23.051   0.419
  304   1HB   GLU  40          HB2       GLU  40 -17.503  23.746   0.528
  305   2HB   GLU  40          HB3       GLU  40 -16.510  25.009  -0.179
  306   1HG   GLU  40          HG2       GLU  40 -17.295  24.385  -2.452
  307   2HG   GLU  40          HG3       GLU  40 -18.274  23.082  -1.772
  308    H    ALA  41           H        ALA  41 -17.199  21.674   1.054
  309    HA   ALA  41           HA       ALA  41 -17.751  19.316  -0.639
  310   1HB   ALA  41          HB1       ALA  41 -16.478  19.256   2.136
  311   2HB   ALA  41          HB2       ALA  41 -17.194  17.868   1.313
  312   3HB   ALA  41          HB3       ALA  41 -15.760  18.655   0.619
  313    H    HIS  42           H        HIS  42 -19.668  18.284   0.172
  314    HA   HIS  42           HA       HIS  42 -21.158  19.652   2.373
  315   1HB   HIS  42          HB2       HIS  42 -21.929  20.531   0.185
  316   2HB   HIS  42          HB3       HIS  42 -22.275  18.888  -0.358
  317    HD1  HIS  42           HD1      HIS  42 -24.696  18.007   0.248
  318    HD2  HIS  42           HD2      HIS  42 -23.439  21.399   2.409
  319    HE1  HIS  42           HE1      HIS  42 -26.704  18.770   1.611
  320    H    GLY  43           H        GLY  43 -20.704  16.746   0.308
  321   1HA   GLY  43          HA1       GLY  43 -20.656  14.937   2.438
  322   2HA   GLY  43          HA2       GLY  43 -22.300  14.924   1.753
  323    H    LEU  44           H        LEU  44 -21.146  12.604   1.335
  324    HA   LEU  44           HA       LEU  44 -19.726  12.553  -1.257
  325   1HB   LEU  44          HB2       LEU  44 -19.284  10.817   0.498
  326   2HB   LEU  44          HB3       LEU  44 -20.979  10.334   0.423
  327    HG   LEU  44           HG       LEU  44 -20.607   9.854  -2.076
  328   1HD1  LEU  44          HD11      LEU  44 -18.532  11.105  -2.453
  329   2HD1  LEU  44          HD12      LEU  44 -17.687  10.114  -1.242
  330   3HD1  LEU  44          HD13      LEU  44 -18.264   9.387  -2.755
  331   1HD2  LEU  44          HD21      LEU  44 -20.777   8.059  -0.446
  332   2HD2  LEU  44          HD22      LEU  44 -19.483   7.683  -1.598
  333   3HD2  LEU  44          HD23      LEU  44 -19.082   8.271   0.027
  334    H    ASN  45           H        ASN  45 -21.060  13.373  -2.879
  335    HA   ASN  45           HA       ASN  45 -23.827  13.667  -2.565
  336   1HB   ASN  45          HB2       ASN  45 -22.341  14.978  -4.070
  337   2HB   ASN  45          HB3       ASN  45 -22.314  13.621  -5.203
  338   1HD2  ASN  45          HD22      ASN  45 -23.485  16.513  -5.261
  339   2HD2  ASN  45          HD21      ASN  45 -25.124  16.252  -5.803
  340    HA   PRO  46           HA       PRO  46 -25.214   9.438  -3.437
  341   1HB   PRO  46          HB2       PRO  46 -27.751  10.917  -4.156
  342   2HB   PRO  46          HB3       PRO  46 -27.555   9.416  -3.199
  343   1HG   PRO  46          HG2       PRO  46 -27.965  11.787  -1.950
  344   2HG   PRO  46          HG3       PRO  46 -26.739  10.640  -1.314
  345   1HD   PRO  46          HD2       PRO  46 -26.300  13.097  -3.026
  346   2HD   PRO  46          HD3       PRO  46 -25.384  12.529  -1.595
  347    H    ASN  47           H        ASN  47 -25.717  12.164  -5.748
  348    HA   ASN  47           HA       ASN  47 -26.282  10.488  -8.001
  349   1HB   ASN  47          HB2       ASN  47 -26.434  12.357  -9.172
  350   2HB   ASN  47          HB3       ASN  47 -26.320  13.229  -7.661
  351   1HD2  ASN  47          HD22      ASN  47 -25.051  12.948 -10.812
  352   2HD2  ASN  47          HD21      ASN  47 -23.506  13.717 -10.547
  353    H    ALA  48           H        ALA  48 -23.226  11.591  -6.517
  354    HA   ALA  48           HA       ALA  48 -21.580  10.612  -8.670
  355   1HB   ALA  48          HB1       ALA  48 -19.735  10.961  -7.071
  356   2HB   ALA  48          HB2       ALA  48 -20.836  12.356  -7.106
  357   3HB   ALA  48          HB3       ALA  48 -20.883  11.206  -5.750
  358    H    VAL  49           H        VAL  49 -22.735   9.307  -5.517
  359    HA   VAL  49           HA       VAL  49 -21.254   6.885  -5.611
  360    HB   VAL  49           HB       VAL  49 -23.970   7.318  -4.319
  361   1HG1  VAL  49          HG11      VAL  49 -21.783   5.224  -3.928
  362   2HG1  VAL  49          HG12      VAL  49 -23.220   5.415  -2.892
  363   3HG1  VAL  49          HG13      VAL  49 -23.404   4.928  -4.580
  364   1HG2  VAL  49          HG21      VAL  49 -22.349   8.928  -3.433
  365   2HG2  VAL  49          HG22      VAL  49 -22.608   7.646  -2.252
  366   3HG2  VAL  49          HG23      VAL  49 -21.138   7.644  -3.258
  367    H    LYS  50           H        LYS  50 -24.656   7.594  -6.754
  368    HA   LYS  50           HA       LYS  50 -24.928   4.937  -7.739
  369   1HB   LYS  50          HB2       LYS  50 -26.812   6.546  -7.163
  370   2HB   LYS  50          HB3       LYS  50 -26.522   7.335  -8.726
  371   1HG   LYS  50          HG2       LYS  50 -26.897   5.109  -9.856
  372   2HG   LYS  50          HG3       LYS  50 -27.204   4.383  -8.273
  373   1HD   LYS  50          HD2       LYS  50 -29.153   5.887  -7.967
  374   2HD   LYS  50          HD3       LYS  50 -28.837   6.607  -9.563
  375   1HE   LYS  50          HE2       LYS  50 -29.138   4.389 -10.630
  376   2HE   LYS  50          HE3       LYS  50 -29.447   3.663  -9.047
  377   1HZ   LYS  50          HZ1       LYS  50 -31.501   4.155 -10.208
  378   2HZ   LYS  50          HZ2       LYS  50 -31.419   5.066  -8.862
  379   3HZ   LYS  50          HZ3       LYS  50 -31.135   5.738 -10.326
  380    H    ALA  51           H        ALA  51 -23.971   7.990  -9.420
  381    HA   ALA  51           HA       ALA  51 -23.963   6.983 -12.027
  382   1HB   ALA  51          HB1       ALA  51 -22.312   8.787 -12.515
  383   2HB   ALA  51          HB2       ALA  51 -23.653   9.378 -11.516
  384   3HB   ALA  51          HB3       ALA  51 -22.069   9.032 -10.775
  385    H    MET  52           H        MET  52 -21.312   6.849  -9.574
  386    HA   MET  52           HA       MET  52 -19.519   5.428 -11.325
  387   1HB   MET  52          HB2       MET  52 -19.634   5.943  -8.326
  388   2HB   MET  52          HB3       MET  52 -18.274   5.190  -9.153
  389   1HG   MET  52          HG2       MET  52 -19.349   7.996  -9.653
  390   2HG   MET  52          HG3       MET  52 -17.874   7.590  -8.790
  391   1HE   MET  52          HE1       MET  52 -15.684   6.804  -9.870
  392   2HE   MET  52          HE2       MET  52 -16.582   5.363 -10.390
  393   3HE   MET  52          HE3       MET  52 -15.541   6.194 -11.532
  394    H    LYS  53           H        LYS  53 -21.802   4.450  -8.713
  395    HA   LYS  53           HA       LYS  53 -20.917   1.776  -8.545
  396   1HB   LYS  53          HB2       LYS  53 -22.307   2.975  -6.866
  397   2HB   LYS  53          HB3       LYS  53 -23.699   2.871  -7.961
  398   1HG   LYS  53          HG2       LYS  53 -23.629   0.407  -7.815
  399   2HG   LYS  53          HG3       LYS  53 -22.160   0.493  -6.815
  400   1HD   LYS  53          HD2       LYS  53 -23.419   1.775  -5.093
  401   2HD   LYS  53          HD3       LYS  53 -24.893   1.640  -6.056
  402   1HE   LYS  53          HE2       LYS  53 -23.285  -0.706  -4.929
  403   2HE   LYS  53          HE3       LYS  53 -24.708  -0.004  -4.159
  404   1HZ   LYS  53          HZ1       LYS  53 -25.303  -1.949  -5.419
  405   2HZ   LYS  53          HZ2       LYS  53 -26.013  -0.654  -6.100
  406   3HZ   LYS  53          HZ3       LYS  53 -24.702  -1.342  -6.803
  407    H    GLU  54           H        GLU  54 -23.288   3.304 -10.708
  408    HA   GLU  54           HA       GLU  54 -24.153   0.906 -11.968
  409   1HB   GLU  54          HB2       GLU  54 -24.143   3.843 -12.745
  410   2HB   GLU  54          HB3       GLU  54 -24.785   2.618 -13.840
  411   1HG   GLU  54          HG2       GLU  54 -25.747   3.011 -10.980
  412   2HG   GLU  54          HG3       GLU  54 -26.496   3.745 -12.393
  413    H    VAL  55           H        VAL  55 -21.102   2.603 -12.292
  414    HA   VAL  55           HA       VAL  55 -20.417   1.308 -14.856
  415    HB   VAL  55           HB       VAL  55 -18.538   2.606 -12.833
  416   1HG1  VAL  55          HG11      VAL  55 -17.353   1.289 -14.531
  417   2HG1  VAL  55          HG12      VAL  55 -18.237   2.131 -15.825
  418   3HG1  VAL  55          HG13      VAL  55 -17.089   3.008 -14.790
  419   1HG2  VAL  55          HG21      VAL  55 -19.896   3.961 -15.197
  420   2HG2  VAL  55          HG22      VAL  55 -20.220   4.279 -13.476
  421   3HG2  VAL  55          HG23      VAL  55 -18.648   4.668 -14.143
  422    H    GLY  56           H        GLY  56 -20.486   0.554 -11.448
  423   1HA   GLY  56          HA1       GLY  56 -20.074  -1.613 -10.562
  424   2HA   GLY  56          HA2       GLY  56 -18.837  -1.904 -11.796
  425    H    ILE  57           H        ILE  57 -18.945   1.295 -10.265
  426    HA   ILE  57           HA       ILE  57 -16.459   0.644  -8.756
  427    HB   ILE  57           HB       ILE  57 -17.209   3.248 -10.118
  428   1HG1  ILE  57          HG12      ILE  57 -15.135   1.196 -11.008
  429   2HG1  ILE  57          HG13      ILE  57 -16.687   1.477 -11.797
  430   1HG2  ILE  57          HG21      ILE  57 -15.766   3.435  -8.061
  431   2HG2  ILE  57          HG22      ILE  57 -14.591   2.339  -8.812
  432   3HG2  ILE  57          HG23      ILE  57 -14.915   3.933  -9.514
  433   1HD1  ILE  57          HD11      ILE  57 -15.132   2.680 -13.078
  434   2HD1  ILE  57          HD12      ILE  57 -16.002   3.890 -12.140
  435   3HD1  ILE  57          HD13      ILE  57 -14.351   3.395 -11.656
  436    H    ASP  58           H        ASP  58 -17.441   0.228  -6.846
  437    HA   ASP  58           HA       ASP  58 -19.641   1.864  -5.830
  438   1HB   ASP  58          HB2       ASP  58 -19.661  -0.487  -5.329
  439   2HB   ASP  58          HB3       ASP  58 -18.053  -0.404  -4.590
  440    H    ILE  59           H        ILE  59 -18.700   3.975  -5.786
  441    HA   ILE  59           HA       ILE  59 -16.388   4.471  -4.109
  442    HB   ILE  59           HB       ILE  59 -16.598   6.756  -4.658
  443   1HG1  ILE  59          HG12      ILE  59 -19.217   6.341  -6.114
  444   2HG1  ILE  59          HG13      ILE  59 -19.172   6.842  -4.425
  445   1HG2  ILE  59          HG21      ILE  59 -17.299   5.193  -7.151
  446   2HG2  ILE  59          HG22      ILE  59 -16.419   6.730  -7.063
  447   3HG2  ILE  59          HG23      ILE  59 -15.692   5.265  -6.392
  448   1HD1  ILE  59          HD11      ILE  59 -17.750   8.800  -5.042
  449   2HD1  ILE  59          HD12      ILE  59 -18.008   8.406  -6.751
  450   3HD1  ILE  59          HD13      ILE  59 -19.385   8.827  -5.713
  451    H    SER  60           H        SER  60 -19.377   3.506  -3.033
  452    HA   SER  60           HA       SER  60 -20.202   5.564  -1.348
  453   1HB   SER  60          HB2       SER  60 -20.347   2.611  -0.625
  454   2HB   SER  60          HB3       SER  60 -21.434   3.908  -0.106
  455    HG   SER  60           HG       SER  60 -21.146   2.610  -2.576
  456    H    ASN  61           H        ASN  61 -17.490   3.365  -0.992
  457    HA   ASN  61           HA       ASN  61 -17.030   3.642   1.817
  458   1HB   ASN  61          HB2       ASN  61 -16.188   1.749   0.465
  459   2HB   ASN  61          HB3       ASN  61 -15.183   2.855  -0.481
  460   1HD2  ASN  61          HD22      ASN  61 -15.728   1.734   2.925
  461   2HD2  ASN  61          HD21      ASN  61 -14.062   1.913   3.405
  462    H    GLN  62           H        GLN  62 -16.413   5.822  -0.856
  463    HA   GLN  62           HA       GLN  62 -14.089   7.099   0.258
  464   1HB   GLN  62          HB2       GLN  62 -15.994   8.110  -1.887
  465   2HB   GLN  62          HB3       GLN  62 -14.380   8.730  -1.485
  466   1HG   GLN  62          HG2       GLN  62 -13.399   6.531  -2.103
  467   2HG   GLN  62          HG3       GLN  62 -14.995   5.985  -2.627
  468   1HE2  GLN  62          HE22      GLN  62 -14.868   9.261  -3.561
  469   2HE2  GLN  62          HE21      GLN  62 -14.383   8.937  -5.227
  470    H    THR  63           H        THR  63 -14.327   9.596   0.673
  471    HA   THR  63           HA       THR  63 -16.870  10.445   1.762
  472    HB   THR  63           HB       THR  63 -15.590  11.257   3.895
  473    HG1  THR  63           HG1      THR  63 -13.517  10.540   3.300
  474   1HG2  THR  63          HG21      THR  63 -17.429   9.525   3.832
  475   2HG2  THR  63          HG22      THR  63 -16.173   8.275   3.732
  476   3HG2  THR  63          HG23      THR  63 -16.261   9.336   5.152
  477    H    SER  64           H        SER  64 -16.933  12.789   2.114
  478    HA   SER  64           HA       SER  64 -15.201  14.127   0.208
  479   1HB   SER  64          HB2       SER  64 -17.849  14.757   1.599
  480   2HB   SER  64          HB3       SER  64 -17.040  15.870   0.482
  481    HG   SER  64           HG       SER  64 -18.608  14.429  -0.522
  482    H    ASP  65           H        ASP  65 -14.139  16.062   0.624
  483    HA   ASP  65           HA       ASP  65 -13.960  17.214   3.284
  484   1HB   ASP  65          HB2       ASP  65 -12.338  15.224   3.282
  485   2HB   ASP  65          HB3       ASP  65 -11.472  16.042   1.974
  486    H    ILE  66           H        ILE  66 -12.590  19.216   3.157
  487    HA   ILE  66           HA       ILE  66 -12.608  20.379   0.430
  488    HB   ILE  66           HB       ILE  66 -12.755  22.477   1.394
  489   1HG1  ILE  66          HG12      ILE  66 -12.066  21.257   4.090
  490   2HG1  ILE  66          HG13      ILE  66 -11.104  22.409   3.139
  491   1HG2  ILE  66          HG21      ILE  66 -14.490  20.831   3.280
  492   2HG2  ILE  66          HG22      ILE  66 -14.856  22.397   2.538
  493   3HG2  ILE  66          HG23      ILE  66 -14.782  20.931   1.541
  494   1HD1  ILE  66          HD11      ILE  66 -13.727  22.924   4.563
  495   2HD1  ILE  66          HD12      ILE  66 -12.145  23.655   4.887
  496   3HD1  ILE  66          HD13      ILE  66 -13.020  24.056   3.383
  497    H    ILE  67           H        ILE  67 -10.651  21.820   0.003
  498    HA   ILE  67           HA       ILE  67  -8.497  20.077  -0.093
  499    HB   ILE  67           HB       ILE  67  -8.941  21.662  -1.771
  500   1HG1  ILE  67          HG12      ILE  67  -6.641  20.671  -1.384
  501   2HG1  ILE  67          HG13      ILE  67  -6.813  22.012  -2.499
  502   1HG2  ILE  67          HG21      ILE  67  -8.050  23.905   0.065
  503   2HG2  ILE  67          HG22      ILE  67  -8.359  24.024  -1.677
  504   3HG2  ILE  67          HG23      ILE  67  -9.688  23.626  -0.581
  505   1HD1  ILE  67          HD11      ILE  67  -5.739  22.352   0.318
  506   2HD1  ILE  67          HD12      ILE  67  -4.776  22.212  -1.157
  507   3HD1  ILE  67          HD13      ILE  67  -5.870  23.588  -0.940
  508    H    ASP  68           H        ASP  68  -7.165  19.338   1.253
  509    HA   ASP  68           HA       ASP  68  -6.142  20.935   3.540
  510   1HB   ASP  68          HB2       ASP  68  -6.788  18.654   4.089
  511   2HB   ASP  68          HB3       ASP  68  -5.830  18.004   2.753
  512    H    SER  69           H        SER  69  -4.342  22.096   3.168
  513    HA   SER  69           HA       SER  69  -3.085  22.108   0.657
  514   1HB   SER  69          HB2       SER  69  -2.031  23.352   3.222
  515   2HB   SER  69          HB3       SER  69  -1.836  23.944   1.562
  516    HG   SER  69           HG       SER  69  -3.469  25.062   2.790
  517    H    ASP  70           H        ASP  70  -2.296  20.195   3.503
  518    HA   ASP  70           HA       ASP  70   0.549  20.121   2.958
  519   1HB   ASP  70          HB2       ASP  70  -0.185  19.890   5.258
  520   2HB   ASP  70          HB3       ASP  70  -1.173  18.488   4.846
  521    H    ILE  71           H        ILE  71  -2.299  18.020   2.406
  522    HA   ILE  71           HA       ILE  71  -0.771  15.916   1.156
  523    HB   ILE  71           HB       ILE  71  -3.701  16.681   0.852
  524   1HG1  ILE  71          HG12      ILE  71  -2.252  14.423   2.323
  525   2HG1  ILE  71          HG13      ILE  71  -2.951  15.850   3.092
  526   1HG2  ILE  71          HG21      ILE  71  -2.941  15.506  -1.202
  527   2HG2  ILE  71          HG22      ILE  71  -2.184  14.246  -0.205
  528   3HG2  ILE  71          HG23      ILE  71  -3.960  14.453  -0.250
  529   1HD1  ILE  71          HD11      ILE  71  -5.217  15.126   2.219
  530   2HD1  ILE  71          HD12      ILE  71  -4.452  13.589   1.729
  531   3HD1  ILE  71          HD13      ILE  71  -4.479  14.058   3.434
  532    H    LEU  72           H        LEU  72  -2.382  18.867  -0.175
  533    HA   LEU  72           HA       LEU  72  -1.722  18.450  -2.875
  534   1HB   LEU  72          HB2       LEU  72  -3.222  20.208  -2.072
  535   2HB   LEU  72          HB3       LEU  72  -1.923  20.999  -1.226
  536    HG   LEU  72           HG       LEU  72  -1.203  20.694  -4.043
  537   1HD1  LEU  72          HD11      LEU  72  -3.878  22.058  -3.507
  538   2HD1  LEU  72          HD12      LEU  72  -2.954  22.138  -5.027
  539   3HD1  LEU  72          HD13      LEU  72  -3.617  20.593  -4.464
  540   1HD2  LEU  72          HD21      LEU  72  -1.053  23.190  -3.848
  541   2HD2  LEU  72          HD22      LEU  72  -1.782  23.074  -2.238
  542   3HD2  LEU  72          HD23      LEU  72  -0.215  22.325  -2.553
  543    H    ASN  73           H        ASN  73   0.238  20.054  -0.305
  544    HA   ASN  73           HA       ASN  73   2.442  20.532  -2.055
  545   1HB   ASN  73          HB2       ASN  73   2.016  20.748   0.928
  546   2HB   ASN  73          HB3       ASN  73   3.642  20.849   0.276
  547   1HD2  ASN  73          HD22      ASN  73   0.429  22.415   0.136
  548   2HD2  ASN  73          HD21      ASN  73   0.972  23.880  -0.668
  549    H    ASN  74           H        ASN  74   1.432  17.520  -0.899
  550    HA   ASN  74           HA       ASN  74   4.215  16.399  -0.953
  551   1HB   ASN  74          HB2       ASN  74   1.598  15.384   0.226
  552   2HB   ASN  74          HB3       ASN  74   2.912  14.291  -0.151
  553   1HD2  ASN  74          HD22      ASN  74   1.773  16.621   2.111
  554   2HD2  ASN  74          HD21      ASN  74   3.082  16.441   3.258
  555    H    ALA  75           H        ALA  75   1.198  16.634  -2.732
  556    HA   ALA  75           HA       ALA  75   1.163  14.059  -3.811
  557   1HB   ALA  75          HB1       ALA  75  -0.769  15.599  -3.738
  558   2HB   ALA  75          HB2       ALA  75  -0.001  16.610  -4.988
  559   3HB   ALA  75          HB3       ALA  75  -0.497  14.943  -5.361
  560    H    ASP  76           H        ASP  76   1.735  13.240  -5.966
  561    HA   ASP  76           HA       ASP  76   4.144  14.424  -7.179
  562   1HB   ASP  76          HB2       ASP  76   3.702  11.961  -7.357
  563   2HB   ASP  76          HB3       ASP  76   2.208  12.308  -8.243
  564    H    LEU  77           H        LEU  77   0.649  14.371  -7.556
  565    HA   LEU  77           HA       LEU  77   0.689  16.423  -9.672
  566   1HB   LEU  77          HB2       LEU  77   0.696  14.311 -10.807
  567   2HB   LEU  77          HB3       LEU  77  -0.508  13.647  -9.703
  568    HG   LEU  77           HG       LEU  77  -2.211  15.196 -10.596
  569   1HD1  LEU  77          HD11      LEU  77  -1.926  16.417 -12.641
  570   2HD1  LEU  77          HD12      LEU  77  -0.644  16.963 -11.560
  571   3HD1  LEU  77          HD13      LEU  77  -0.281  15.816 -12.868
  572   1HD2  LEU  77          HD21      LEU  77  -0.802  13.458 -12.640
  573   2HD2  LEU  77          HD22      LEU  77  -1.925  12.874 -11.406
  574   3HD2  LEU  77          HD23      LEU  77  -2.517  13.937 -12.691
  575    H    VAL  78           H        VAL  78  -1.021  17.707  -9.650
  576    HA   VAL  78           HA       VAL  78  -3.339  17.137  -7.867
  577    HB   VAL  78           HB       VAL  78  -2.089  19.827  -8.580
  578   1HG1  VAL  78          HG11      VAL  78  -4.560  19.990  -8.348
  579   2HG1  VAL  78          HG12      VAL  78  -4.471  19.168  -6.776
  580   3HG1  VAL  78          HG13      VAL  78  -3.748  20.781  -6.998
  581   1HG2  VAL  78          HG21      VAL  78  -0.766  18.604  -6.877
  582   2HG2  VAL  78          HG22      VAL  78  -1.551  20.020  -6.204
  583   3HG2  VAL  78          HG23      VAL  78  -2.224  18.396  -5.886
  584    H    VAL  79           H        VAL  79  -5.335  17.268  -8.963
  585    HA   VAL  79           HA       VAL  79  -5.188  17.989 -11.870
  586    HB   VAL  79           HB       VAL  79  -6.859  15.779 -10.634
  587   1HG1  VAL  79          HG11      VAL  79  -7.890  16.836 -12.616
  588   2HG1  VAL  79          HG12      VAL  79  -6.372  16.646 -13.524
  589   3HG1  VAL  79          HG13      VAL  79  -7.310  15.219 -13.028
  590   1HG2  VAL  79          HG21      VAL  79  -4.311  15.627 -12.294
  591   2HG2  VAL  79          HG22      VAL  79  -4.554  15.035 -10.630
  592   3HG2  VAL  79          HG23      VAL  79  -5.390  14.252 -11.971
  593    H    THR  80           H        THR  80  -6.145  19.856 -12.062
  594    HA   THR  80           HA       THR  80  -8.277  20.686 -10.196
  595    HB   THR  80           HB       THR  80  -7.949  22.911 -11.334
  596    HG1  THR  80           HG1      THR  80  -5.776  21.522 -12.555
  597   1HG2  THR  80          HG21      THR  80  -5.612  21.586  -9.890
  598   2HG2  THR  80          HG22      THR  80  -5.774  23.325 -10.164
  599   3HG2  THR  80          HG23      THR  80  -6.971  22.479  -9.169
  600    H    LEU  81           H        LEU  81 -10.006  19.504 -10.776
  601    HA   LEU  81           HA       LEU  81 -10.583  18.729 -13.465
  602   1HB   LEU  81          HB2       LEU  81 -12.237  18.711 -10.924
  603   2HB   LEU  81          HB3       LEU  81 -12.786  17.976 -12.428
  604    HG   LEU  81           HG       LEU  81 -10.229  17.155 -10.977
  605   1HD1  LEU  81          HD11      LEU  81 -11.517  15.225 -10.203
  606   2HD1  LEU  81          HD12      LEU  81 -12.230  16.738  -9.620
  607   3HD1  LEU  81          HD13      LEU  81 -12.982  15.863 -10.978
  608   1HD2  LEU  81          HD21      LEU  81 -10.420  15.104 -12.393
  609   2HD2  LEU  81          HD22      LEU  81 -11.790  15.836 -13.248
  610   3HD2  LEU  81          HD23      LEU  81 -10.177  16.550 -13.372
  611    H    CYS  82           H        CYS  82 -11.074  21.831 -12.098
  612    HA   CYS  82           HA       CYS  82 -12.680  22.471 -14.400
  613   1HB   CYS  82          HB2       CYS  82 -14.464  23.607 -13.259
  614   2HB   CYS  82          HB3       CYS  82 -14.391  21.955 -12.611
  615    HG   CYS  82           HG       CYS  82 -14.909  23.850 -10.711
  616    H    GLY  83           H        GLY  83 -12.506  24.809 -14.856
  617   1HA   GLY  83          HA1       GLY  83  -9.808  25.551 -14.592
  618   2HA   GLY  83          HA2       GLY  83 -11.108  26.569 -15.239
  619    H    ASP  84           H        ASP  84 -12.735  26.842 -12.921
  620    HA   ASP  84           HA       ASP  84 -11.367  29.008 -11.680
  621   1HB   ASP  84          HB2       ASP  84 -13.815  28.904 -11.973
  622   2HB   ASP  84          HB3       ASP  84 -13.903  27.597 -10.791
  623    H    ALA  85           H        ALA  85 -11.748  25.597 -10.682
  624    HA   ALA  85           HA       ALA  85 -10.998  25.972  -7.962
  625   1HB   ALA  85          HB1       ALA  85 -11.999  23.876  -8.714
  626   2HB   ALA  85          HB2       ALA  85 -10.600  23.538  -9.764
  627   3HB   ALA  85          HB3       ALA  85 -10.416  23.551  -7.997
  628    H    ALA  86           H        ALA  86  -9.088  25.920 -10.919
  629    HA   ALA  86           HA       ALA  86  -6.591  25.256  -9.696
  630   1HB   ALA  86          HB1       ALA  86  -7.086  26.827 -12.249
  631   2HB   ALA  86          HB2       ALA  86  -5.644  25.884 -11.827
  632   3HB   ALA  86          HB3       ALA  86  -7.186  25.051 -12.136
  633    H    ASP  87           H        ASP  87  -8.461  28.184  -9.518
  634    HA   ASP  87           HA       ASP  87  -6.292  30.005  -9.037
  635   1HB   ASP  87          HB2       ASP  87  -8.639  30.696  -9.545
  636   2HB   ASP  87          HB3       ASP  87  -9.146  30.006  -7.992
  637    H    LYS  88           H        LYS  88  -7.954  27.559  -7.110
  638    HA   LYS  88           HA       LYS  88  -7.404  28.802  -4.560
  639   1HB   LYS  88          HB2       LYS  88  -9.379  27.392  -5.023
  640   2HB   LYS  88          HB3       LYS  88  -8.329  25.993  -5.288
  641   1HG   LYS  88          HG2       LYS  88  -9.389  25.845  -3.165
  642   2HG   LYS  88          HG3       LYS  88  -7.649  26.023  -2.941
  643   1HD   LYS  88          HD2       LYS  88  -7.933  28.380  -2.300
  644   2HD   LYS  88          HD3       LYS  88  -9.671  28.303  -2.693
  645   1HE   LYS  88          HE2       LYS  88  -9.981  26.541  -0.992
  646   2HE   LYS  88          HE3       LYS  88  -8.257  26.586  -0.604
  647   1HZ   LYS  88          HZ1       LYS  88  -8.553  28.881   0.151
  648   2HZ   LYS  88          HZ2       LYS  88 -10.148  28.842  -0.205
  649   3HZ   LYS  88          HZ3       LYS  88  -9.549  27.892   0.974
  650    H    CYS  89           H        CYS  89  -5.773  26.270  -6.407
  651    HA   CYS  89           HA       CYS  89  -4.520  24.729  -4.671
  652   1HB   CYS  89          HB2       CYS  89  -3.177  25.946  -7.098
  653   2HB   CYS  89          HB3       CYS  89  -2.687  24.454  -6.281
  654    HG   CYS  89           HG       CYS  89  -4.974  23.191  -6.557
  655    HA   PRO  90           HA       PRO  90  -2.015  27.742  -2.349
  656   1HB   PRO  90          HB2       PRO  90  -1.915  26.521   0.067
  657   2HB   PRO  90          HB3       PRO  90  -3.393  27.303  -0.572
  658   1HG   PRO  90          HG2       PRO  90  -2.676  24.368  -0.655
  659   2HG   PRO  90          HG3       PRO  90  -4.225  25.119  -0.139
  660   1HD   PRO  90          HD2       PRO  90  -3.820  24.119  -2.659
  661   2HD   PRO  90          HD3       PRO  90  -4.887  25.506  -2.328
  662    H    MET  91           H        MET  91  -0.586  26.983  -4.079
  663    HA   MET  91           HA       MET  91   1.561  26.935  -4.669
  664   1HB   MET  91          HB2       MET  91   2.319  25.957  -1.890
  665   2HB   MET  91          HB3       MET  91   3.410  26.484  -3.165
  666   1HG   MET  91          HG2       MET  91   2.364  28.731  -3.150
  667   2HG   MET  91          HG3       MET  91   1.301  28.221  -1.833
  668   1HE   MET  91          HE1       MET  91   2.006  30.312  -0.407
  669   2HE   MET  91          HE2       MET  91   3.693  30.758  -0.066
  670   3HE   MET  91          HE3       MET  91   3.071  30.844  -1.728
  671    H    THR  92           H        THR  92   1.785  25.512  -6.261
  672    HA   THR  92           HA       THR  92   2.242  22.646  -5.584
  673    HB   THR  92           HB       THR  92   1.408  22.170  -7.898
  674    HG1  THR  92           HG1      THR  92   1.485  24.307  -8.725
  675   1HG2  THR  92          HG21      THR  92  -0.922  22.215  -7.304
  676   2HG2  THR  92          HG22      THR  92   0.023  21.838  -5.856
  677   3HG2  THR  92          HG23      THR  92  -0.637  23.470  -6.079
  678    HA   PRO  93           HA       PRO  93   6.182  24.620  -7.050
  679   1HB   PRO  93          HB2       PRO  93   7.897  23.167  -5.449
  680   2HB   PRO  93          HB3       PRO  93   7.003  24.608  -4.884
  681   1HG   PRO  93          HG2       PRO  93   6.258  21.689  -4.548
  682   2HG   PRO  93          HG3       PRO  93   6.307  22.970  -3.293
  683   1HD   PRO  93          HD2       PRO  93   3.997  22.266  -4.515
  684   2HD   PRO  93          HD3       PRO  93   4.337  23.974  -4.109
  685    HA   PRO  94           HA       PRO  94   7.422  21.761 -10.131
  686   1HB   PRO  94          HB2       PRO  94  10.132  21.419  -8.826
  687   2HB   PRO  94          HB3       PRO  94   9.747  21.623 -10.567
  688   1HG   PRO  94          HG2       PRO  94  10.554  23.762  -9.130
  689   2HG   PRO  94          HG3       PRO  94   9.147  23.926 -10.232
  690   1HD   PRO  94          HD2       PRO  94   9.167  23.569  -7.239
  691   2HD   PRO  94          HD3       PRO  94   8.133  24.628  -8.242
  692    H    HIS  95           H        HIS  95   8.155  20.494  -6.876
  693    HA   HIS  95           HA       HIS  95   8.327  17.723  -7.621
  694   1HB   HIS  95          HB2       HIS  95   7.546  18.970  -4.955
  695   2HB   HIS  95          HB3       HIS  95   8.108  17.322  -5.213
  696    HD1  HIS  95           HD1      HIS  95  10.791  17.355  -6.452
  697    HD2  HIS  95           HD2      HIS  95   9.405  20.577  -4.117
  698    HE1  HIS  95           HE1      HIS  95  12.854  18.659  -5.733
  699    H    VAL  96           H        VAL  96   5.683  19.805  -7.712
  700    HA   VAL  96           HA       VAL  96   3.583  17.726  -7.387
  701    HB   VAL  96           HB       VAL  96   3.507  20.635  -6.436
  702   1HG1  VAL  96          HG11      VAL  96   1.441  20.009  -5.339
  703   2HG1  VAL  96          HG12      VAL  96   1.336  19.638  -7.063
  704   3HG1  VAL  96          HG13      VAL  96   1.609  18.331  -5.892
  705   1HG2  VAL  96          HG21      VAL  96   3.983  18.205  -4.694
  706   2HG2  VAL  96          HG22      VAL  96   5.071  19.581  -4.945
  707   3HG2  VAL  96          HG23      VAL  96   3.534  19.816  -4.114
  708    H    LYS  97           H        LYS  97   3.584  17.505  -9.684
  709    HA   LYS  97           HA       LYS  97   3.430  19.862 -11.397
  710   1HB   LYS  97          HB2       LYS  97   3.470  18.409 -13.192
  711   2HB   LYS  97          HB3       LYS  97   4.395  17.531 -11.985
  712   1HG   LYS  97          HG2       LYS  97   2.007  16.424 -11.468
  713   2HG   LYS  97          HG3       LYS  97   1.663  16.986 -13.117
  714   1HD   LYS  97          HD2       LYS  97   3.751  15.740 -13.868
  715   2HD   LYS  97          HD3       LYS  97   3.901  15.143 -12.200
  716   1HE   LYS  97          HE2       LYS  97   1.386  14.378 -12.581
  717   2HE   LYS  97          HE3       LYS  97   1.788  14.492 -14.294
  718   1HZ   LYS  97          HZ1       LYS  97   3.685  12.947 -13.755
  719   2HZ   LYS  97          HZ2       LYS  97   3.128  12.831 -12.204
  720   3HZ   LYS  97          HZ3       LYS  97   2.231  12.268 -13.458
  721    H    ARG  98           H        ARG  98   1.410  20.004 -12.877
  722    HA   ARG  98           HA       ARG  98  -1.055  19.337 -11.414
  723   1HB   ARG  98          HB2       ARG  98  -0.231  21.597 -10.644
  724   2HB   ARG  98          HB3       ARG  98  -0.457  22.187 -12.298
  725   1HG   ARG  98          HG2       ARG  98  -2.876  21.725 -12.155
  726   2HG   ARG  98          HG3       ARG  98  -2.650  20.898 -10.609
  727   1HD   ARG  98          HD2       ARG  98  -3.514  23.036 -10.111
  728   2HD   ARG  98          HD3       ARG  98  -1.815  23.064  -9.625
  729    HE   ARG  98           HE       ARG  98  -1.741  24.049 -12.185
  730   1HH1  ARG  98          HH21      ARG  98  -3.587  24.935  -9.302
  731   2HH1  ARG  98          HH22      ARG  98  -3.877  26.566  -9.791
  732   1HH2  ARG  98          HH11      ARG  98  -2.007  26.268 -12.807
  733   2HH2  ARG  98          HH12      ARG  98  -2.850  27.362 -11.780
  734    H    GLU  99           H        GLU  99  -2.901  19.268 -12.720
  735    HA   GLU  99           HA       GLU  99  -2.630  19.948 -15.562
  736   1HB   GLU  99          HB2       GLU  99  -2.095  17.515 -15.299
  737   2HB   GLU  99          HB3       GLU  99  -3.673  17.258 -14.561
  738   1HG   GLU  99          HG2       GLU  99  -3.497  16.589 -16.955
  739   2HG   GLU  99          HG3       GLU  99  -4.801  17.730 -16.626
  740    H    HIS 100           H        HIS 100  -4.901  20.045 -16.540
  741    HA   HIS 100           HA       HIS 100  -6.900  20.909 -14.558
  742   1HB   HIS 100          HB2       HIS 100  -7.040  23.116 -15.470
  743   2HB   HIS 100          HB3       HIS 100  -5.395  22.829 -14.935
  744    HD1  HIS 100           HD1      HIS 100  -4.432  21.367 -17.822
  745    HD2  HIS 100           HD2      HIS 100  -6.476  25.010 -17.181
  746    HE1  HIS 100           HE1      HIS 100  -3.960  22.821 -19.838
  747    H    TRP 101           H        TRP 101  -8.986  21.026 -15.299
  748    HA   TRP 101           HA       TRP 101  -9.651  20.520 -18.123
  749   1HB   TRP 101          HB2       TRP 101 -10.843  18.884 -15.874
  750   2HB   TRP 101          HB3       TRP 101 -11.061  18.697 -17.614
  751    HD1  TRP 101           HD1      TRP 101  -8.800  17.735 -14.771
  752    HE1  TRP 101           HE1      TRP 101  -6.935  16.170 -15.531
  753    HE3  TRP 101           HE3      TRP 101  -9.431  18.138 -19.839
  754    HZ2  TRP 101           HZ2      TRP 101  -5.832  15.211 -18.022
  755    HZ3  TRP 101           HZ3      TRP 101  -7.917  16.924 -21.383
  756    HH2  TRP 101           HH2      TRP 101  -6.128  15.435 -20.480
  757    H    GLY 102           H        GLY 102 -12.469  20.393 -17.738
  758   1HA   GLY 102          HA1       GLY 102 -13.095  23.013 -16.435
  759   2HA   GLY 102          HA2       GLY 102 -13.359  22.755 -18.152
  760    H    PHE 103           H        PHE 103 -14.012  20.494 -15.374
  761    HA   PHE 103           HA       PHE 103 -16.558  19.881 -16.603
  762   1HB   PHE 103          HB2       PHE 103 -15.162  18.810 -14.134
  763   2HB   PHE 103          HB3       PHE 103 -16.767  18.285 -14.653
  764    HD1  PHE 103           HD1      PHE 103 -17.120  17.329 -16.956
  765    HD2  PHE 103           HD2      PHE 103 -13.181  18.022 -15.343
  766    HE1  PHE 103           HE1      PHE 103 -16.122  16.096 -18.854
  767    HE2  PHE 103           HE2      PHE 103 -12.178  16.829 -17.244
  768    HZ   PHE 103           HZ       PHE 103 -13.659  15.878 -19.041
  769    H    ASP 104           H        ASP 104 -18.308  20.949 -16.385
  770    HA   ASP 104           HA       ASP 104 -18.986  22.795 -14.275
  771   1HB   ASP 104          HB2       ASP 104 -19.923  22.889 -16.592
  772   2HB   ASP 104          HB3       ASP 104 -20.690  21.315 -16.315
  773    H    ASP 105           H        ASP 105 -20.691  22.432 -12.678
  774    HA   ASP 105           HA       ASP 105 -20.214  19.933 -11.340
  775   1HB   ASP 105          HB2       ASP 105 -20.484  22.181 -10.239
  776   2HB   ASP 105          HB3       ASP 105 -22.220  22.042 -10.528
  777    HA   PRO 106           HA       PRO 106 -23.511  18.010 -13.568
  778   1HB   PRO 106          HB2       PRO 106 -23.498  15.474 -12.429
  779   2HB   PRO 106          HB3       PRO 106 -22.297  16.044 -13.625
  780   1HG   PRO 106          HG2       PRO 106 -22.068  15.991 -10.603
  781   2HG   PRO 106          HG3       PRO 106 -20.859  15.458 -11.816
  782   1HD   PRO 106          HD2       PRO 106 -20.720  17.908 -10.640
  783   2HD   PRO 106          HD3       PRO 106 -20.296  17.688 -12.364
  784    H    ALA 107           H        ALA 107 -23.538  17.995 -10.003
  785    HA   ALA 107           HA       ALA 107 -26.204  17.015  -9.773
  786   1HB   ALA 107          HB1       ALA 107 -26.034  17.739  -7.433
  787   2HB   ALA 107          HB2       ALA 107 -24.558  16.893  -7.956
  788   3HB   ALA 107          HB3       ALA 107 -24.567  18.665  -7.807
  789    H    ARG 108           H        ARG 108 -25.013  20.124 -10.735
  790    HA   ARG 108           HA       ARG 108 -27.630  21.428 -10.168
  791   1HB   ARG 108          HB2       ARG 108 -24.862  22.574 -10.785
  792   2HB   ARG 108          HB3       ARG 108 -26.338  23.529 -10.714
  793   1HG   ARG 108          HG2       ARG 108 -25.539  23.859  -8.616
  794   2HG   ARG 108          HG3       ARG 108 -26.694  22.541  -8.362
  795   1HD   ARG 108          HD2       ARG 108 -24.783  20.926  -8.376
  796   2HD   ARG 108          HD3       ARG 108 -23.667  22.287  -8.587
  797    HE   ARG 108           HE       ARG 108 -25.188  22.877  -6.329
  798   1HH1  ARG 108          HH21      ARG 108 -22.900  20.312  -7.302
  799   2HH1  ARG 108          HH22      ARG 108 -22.390  19.987  -5.682
  800   1HH2  ARG 108          HH11      ARG 108 -24.510  22.413  -4.185
  801   2HH2  ARG 108          HH12      ARG 108 -23.343  21.187  -3.875
  802    H    ALA 109           H        ALA 109 -26.505  19.571 -12.611
  803    HA   ALA 109           HA       ALA 109 -26.605  21.136 -14.888
  804   1HB   ALA 109          HB1       ALA 109 -27.186  19.033 -16.091
  805   2HB   ALA 109          HB2       ALA 109 -25.916  18.777 -14.879
  806   3HB   ALA 109          HB3       ALA 109 -27.584  18.264 -14.540
  807    H    GLN 110           H        GLN 110 -29.320  19.723 -13.150
  808    HA   GLN 110           HA       GLN 110 -31.554  19.993 -13.160
  809   1HB   GLN 110          HB2       GLN 110 -30.677  22.797 -13.907
  810   2HB   GLN 110          HB3       GLN 110 -32.328  22.404 -13.440
  811   1HG   GLN 110          HG2       GLN 110 -31.719  21.749 -11.241
  812   2HG   GLN 110          HG3       GLN 110 -29.999  21.718 -11.619
  813   1HE2  GLN 110          HE22      GLN 110 -28.896  23.749 -12.113
  814   2HE2  GLN 110          HE21      GLN 110 -29.497  25.252 -11.426
  815    H    GLY 111           H        GLY 111 -33.435  21.300 -14.585
  816   1HA   GLY 111          HA1       GLY 111 -34.199  21.721 -16.844
  817   2HA   GLY 111          HA2       GLY 111 -33.236  20.346 -17.411
  818    H    THR 112           H        THR 112 -33.703  18.246 -16.134
  819    HA   THR 112           HA       THR 112 -36.137  17.848 -14.759
  820    HB   THR 112           HB       THR 112 -37.197  17.907 -16.946
  821    HG1  THR 112           HG1      THR 112 -38.113  16.379 -15.756
  822   1HG2  THR 112          HG21      THR 112 -36.638  16.262 -18.729
  823   2HG2  THR 112          HG22      THR 112 -35.395  17.493 -18.488
  824   3HG2  THR 112          HG23      THR 112 -35.151  15.854 -17.849
  825    H    GLU 113           H        GLU 113 -36.133  15.455 -14.043
  826    HA   GLU 113           HA       GLU 113 -33.591  14.906 -12.990
  827   1HB   GLU 113          HB2       GLU 113 -35.648  14.129 -11.960
  828   2HB   GLU 113          HB3       GLU 113 -36.022  13.105 -13.355
  829   1HG   GLU 113          HG2       GLU 113 -34.084  11.692 -12.914
  830   2HG   GLU 113          HG3       GLU 113 -33.544  12.768 -11.616
  831    H    GLU 114           H        GLU 114 -35.156  13.558 -15.883
  832    HA   GLU 114           HA       GLU 114 -33.063  11.677 -16.394
  833   1HB   GLU 114          HB2       GLU 114 -34.101  11.342 -18.574
  834   2HB   GLU 114          HB3       GLU 114 -35.282  11.294 -17.268
  835   1HG   GLU 114          HG2       GLU 114 -36.006  13.597 -17.814
  836   2HG   GLU 114          HG3       GLU 114 -34.806  13.677 -19.110
  837    H    GLU 115           H        GLU 115 -33.375  15.114 -17.092
  838    HA   GLU 115           HA       GLU 115 -31.290  15.145 -19.088
  839   1HB   GLU 115          HB2       GLU 115 -33.131  16.858 -18.946
  840   2HB   GLU 115          HB3       GLU 115 -32.406  17.448 -17.450
  841   1HG   GLU 115          HG2       GLU 115 -31.702  18.896 -19.191
  842   2HG   GLU 115          HG3       GLU 115 -30.295  17.950 -18.731
  843    H    LYS 116           H        LYS 116 -31.614  15.696 -15.547
  844    HA   LYS 116           HA       LYS 116 -28.895  16.399 -15.080
  845   1HB   LYS 116          HB2       LYS 116 -30.713  14.834 -13.190
  846   2HB   LYS 116          HB3       LYS 116 -29.219  15.675 -12.783
  847   1HG   LYS 116          HG2       LYS 116 -30.314  17.821 -13.573
  848   2HG   LYS 116          HG3       LYS 116 -31.818  16.911 -13.727
  849   1HD   LYS 116          HD2       LYS 116 -31.961  17.936 -11.622
  850   2HD   LYS 116          HD3       LYS 116 -31.570  16.229 -11.307
  851   1HE   LYS 116          HE2       LYS 116 -29.171  16.859 -10.993
  852   2HE   LYS 116          HE3       LYS 116 -29.560  18.539 -11.368
  853   1HZ   LYS 116          HZ1       LYS 116 -30.486  17.045  -8.989
  854   2HZ   LYS 116          HZ2       LYS 116 -29.406  18.281  -9.043
  855   3HZ   LYS 116          HZ3       LYS 116 -30.982  18.559  -9.368
  856    H    TRP 117           H        TRP 117 -30.533  13.237 -14.881
  857    HA   TRP 117           HA       TRP 117 -28.193  11.719 -14.438
  858   1HB   TRP 117          HB2       TRP 117 -30.481  10.808 -14.202
  859   2HB   TRP 117          HB3       TRP 117 -30.661  10.816 -15.959
  860    HD1  TRP 117           HD1      TRP 117 -29.305   8.980 -17.334
  861    HE1  TRP 117           HE1      TRP 117 -28.138   6.783 -16.700
  862    HE3  TRP 117           HE3      TRP 117 -29.004   9.648 -12.269
  863    HZ2  TRP 117           HZ2      TRP 117 -26.933   5.636 -14.370
  864    HZ3  TRP 117           HZ3      TRP 117 -27.654   8.089 -10.895
  865    HH2  TRP 117           HH2      TRP 117 -26.608   6.079 -11.931
  866    H    ALA 118           H        ALA 118 -29.651  12.768 -17.552
  867    HA   ALA 118           HA       ALA 118 -27.839  11.371 -19.215
  868   1HB   ALA 118          HB1       ALA 118 -29.246  14.029 -19.711
  869   2HB   ALA 118          HB2       ALA 118 -28.473  13.032 -20.950
  870   3HB   ALA 118          HB3       ALA 118 -29.884  12.410 -20.075
  871    H    PHE 119           H        PHE 119 -27.492  14.528 -17.550
  872    HA   PHE 119           HA       PHE 119 -24.942  15.095 -18.752
  873   1HB   PHE 119          HB2       PHE 119 -26.634  16.743 -17.771
  874   2HB   PHE 119          HB3       PHE 119 -26.058  16.257 -16.182
  875    HD1  PHE 119           HD1      PHE 119 -25.157  17.907 -19.392
  876    HD2  PHE 119           HD2      PHE 119 -23.867  16.982 -15.391
  877    HE1  PHE 119           HE1      PHE 119 -23.308  19.550 -19.609
  878    HE2  PHE 119           HE2      PHE 119 -22.053  18.689 -15.576
  879    HZ   PHE 119           HZ       PHE 119 -21.759  19.939 -17.713
  880    H    PHE 120           H        PHE 120 -25.984  13.489 -15.684
  881    HA   PHE 120           HA       PHE 120 -23.448  13.144 -14.477
  882   1HB   PHE 120          HB2       PHE 120 -25.614  11.036 -14.534
  883   2HB   PHE 120          HB3       PHE 120 -24.293  11.184 -13.406
  884    HD1  PHE 120           HD1      PHE 120 -25.261  14.525 -13.465
  885    HD2  PHE 120           HD2      PHE 120 -26.759  10.647 -12.332
  886    HE1  PHE 120           HE1      PHE 120 -26.837  15.584 -11.897
  887    HE2  PHE 120           HE2      PHE 120 -28.406  11.729 -10.821
  888    HZ   PHE 120           HZ       PHE 120 -28.437  14.204 -10.590
  889    H    GLN 121           H        GLN 121 -25.145  11.179 -17.008
  890    HA   GLN 121           HA       GLN 121 -23.125   9.262 -17.407
  891   1HB   GLN 121          HB2       GLN 121 -25.114  10.407 -19.403
  892   2HB   GLN 121          HB3       GLN 121 -24.066   9.047 -19.741
  893   1HG   GLN 121          HG2       GLN 121 -26.155   9.133 -17.524
  894   2HG   GLN 121          HG3       GLN 121 -26.347   8.344 -19.083
  895   1HE2  GLN 121          HE22      GLN 121 -25.829   7.580 -15.953
  896   2HE2  GLN 121          HE21      GLN 121 -24.802   6.178 -16.140
  897    H    ARG 122           H        ARG 122 -23.486  12.437 -19.056
  898    HA   ARG 122           HA       ARG 122 -21.182  12.095 -20.710
  899   1HB   ARG 122          HB2       ARG 122 -22.637  14.590 -19.748
  900   2HB   ARG 122          HB3       ARG 122 -21.080  14.723 -20.549
  901   1HG   ARG 122          HG2       ARG 122 -22.670  15.023 -22.250
  902   2HG   ARG 122          HG3       ARG 122 -21.970  13.414 -22.494
  903   1HD   ARG 122          HD2       ARG 122 -23.954  12.452 -21.279
  904   2HD   ARG 122          HD3       ARG 122 -24.648  14.091 -21.215
  905    HE   ARG 122           HE       ARG 122 -24.137  13.640 -23.894
  906   1HH1  ARG 122          HH21      ARG 122 -26.012  12.061 -21.347
  907   2HH1  ARG 122          HH22      ARG 122 -27.124  11.278 -22.430
  908   1HH2  ARG 122          HH11      ARG 122 -25.662  12.675 -25.357
  909   2HH2  ARG 122          HH12      ARG 122 -26.947  11.695 -24.764
  910    H    VAL 123           H        VAL 123 -21.478  13.668 -17.477
  911    HA   VAL 123           HA       VAL 123 -18.704  14.311 -17.431
  912    HB   VAL 123           HB       VAL 123 -20.751  14.117 -15.178
  913   1HG1  VAL 123          HG11      VAL 123 -17.948  15.331 -15.116
  914   2HG1  VAL 123          HG12      VAL 123 -19.186  15.537 -13.858
  915   3HG1  VAL 123          HG13      VAL 123 -18.510  13.936 -14.169
  916   1HG2  VAL 123          HG21      VAL 123 -21.241  15.877 -16.865
  917   2HG2  VAL 123          HG22      VAL 123 -20.700  16.620 -15.358
  918   3HG2  VAL 123          HG23      VAL 123 -19.588  16.498 -16.724
  919    H    ARG 124           H        ARG 124 -20.399  11.359 -15.982
  920    HA   ARG 124           HA       ARG 124 -17.927  10.430 -14.942
  921   1HB   ARG 124          HB2       ARG 124 -18.873   8.254 -14.668
  922   2HB   ARG 124          HB3       ARG 124 -20.114   9.438 -14.245
  923   1HG   ARG 124          HG2       ARG 124 -21.195   9.022 -16.446
  924   2HG   ARG 124          HG3       ARG 124 -19.939   7.834 -16.833
  925   1HD   ARG 124          HD2       ARG 124 -20.620   6.553 -14.770
  926   2HD   ARG 124          HD3       ARG 124 -22.019   7.638 -14.632
  927    HE   ARG 124           HE       ARG 124 -22.133   6.776 -17.240
  928   1HH1  ARG 124          HH22      ARG 124 -22.166   5.042 -14.118
  929   2HH1  ARG 124          HH21      ARG 124 -22.834   3.605 -14.828
  930   1HH2  ARG 124          HH11      ARG 124 -23.276   5.016 -18.021
  931   2HH2  ARG 124          HH12      ARG 124 -23.441   3.561 -17.097
  932    H    ASP 125           H        ASP 125 -19.401   9.946 -18.151
  933    HA   ASP 125           HA       ASP 125 -17.519   8.054 -19.082
  934   1HB   ASP 125          HB2       ASP 125 -19.604   8.483 -20.270
  935   2HB   ASP 125          HB3       ASP 125 -19.103  10.141 -20.627
  936    H    GLU 126           H        GLU 126 -17.496  11.672 -19.296
  937    HA   GLU 126           HA       GLU 126 -14.999  11.652 -20.652
  938   1HB   GLU 126          HB2       GLU 126 -16.751  13.788 -19.492
  939   2HB   GLU 126          HB3       GLU 126 -15.081  14.190 -19.904
  940   1HG   GLU 126          HG2       GLU 126 -16.873  12.787 -21.895
  941   2HG   GLU 126          HG3       GLU 126 -16.874  14.538 -21.703
  942    H    ILE 127           H        ILE 127 -15.810  11.799 -17.188
  943    HA   ILE 127           HA       ILE 127 -13.129  12.555 -16.431
  944    HB   ILE 127           HB       ILE 127 -15.580  12.243 -15.080
  945   1HG1  ILE 127          HG12      ILE 127 -14.272  12.983 -13.058
  946   2HG1  ILE 127          HG13      ILE 127 -12.812  12.891 -14.054
  947   1HG2  ILE 127          HG21      ILE 127 -15.242   9.964 -14.639
  948   2HG2  ILE 127          HG22      ILE 127 -13.663  10.282 -13.863
  949   3HG2  ILE 127          HG23      ILE 127 -15.170  10.895 -13.140
  950   1HD1  ILE 127          HD11      ILE 127 -13.795  14.562 -15.616
  951   2HD1  ILE 127          HD12      ILE 127 -15.322  14.530 -14.708
  952   3HD1  ILE 127          HD13      ILE 127 -13.862  15.193 -13.953
  953    H    GLY 128           H        GLY 128 -14.788   9.416 -16.926
  954   1HA   GLY 128          HA1       GLY 128 -12.592   7.734 -16.270
  955   2HA   GLY 128          HA2       GLY 128 -13.943   7.340 -17.359
  956    H    ASN 129           H        ASN 129 -13.684   9.101 -19.408
  957    HA   ASN 129           HA       ASN 129 -11.616   8.123 -21.037
  958   1HB   ASN 129          HB2       ASN 129 -13.783   9.171 -21.752
  959   2HB   ASN 129          HB3       ASN 129 -13.124  10.737 -21.270
  960   1HD2  ASN 129          HD22      ASN 129 -13.450  11.537 -23.364
  961   2HD2  ASN 129          HD21      ASN 129 -12.463  11.021 -24.732
  962    H    ARG 130           H        ARG 130 -11.728  11.064 -19.011
  963    HA   ARG 130           HA       ARG 130  -9.231  12.174 -19.784
  964   1HB   ARG 130          HB2       ARG 130 -11.161  12.602 -17.595
  965   2HB   ARG 130          HB3       ARG 130  -9.539  12.565 -16.956
  966   1HG   ARG 130          HG2       ARG 130  -9.737  14.766 -17.388
  967   2HG   ARG 130          HG3       ARG 130  -8.941  14.239 -18.863
  968   1HD   ARG 130          HD2       ARG 130 -11.880  14.824 -18.396
  969   2HD   ARG 130          HD3       ARG 130 -10.782  15.822 -19.353
  970    HE   ARG 130           HE       ARG 130 -12.338  13.564 -20.171
  971   1HH1  ARG 130          HH21      ARG 130  -9.050  14.856 -20.836
  972   2HH1  ARG 130          HH22      ARG 130  -8.979  13.980 -22.363
  973   1HH2  ARG 130          HH11      ARG 130 -12.280  12.946 -22.398
  974   2HH2  ARG 130          HH12      ARG 130 -10.676  12.861 -23.154
  975    H    LEU 131           H        LEU 131 -10.010   9.877 -17.113
  976    HA   LEU 131           HA       LEU 131  -7.252   9.674 -16.398
  977   1HB   LEU 131          HB2       LEU 131  -9.736   8.217 -15.600
  978   2HB   LEU 131          HB3       LEU 131  -8.190   7.426 -15.302
  979    HG   LEU 131           HG       LEU 131  -8.961   8.694 -13.398
  980   1HD1  LEU 131          HD11      LEU 131  -6.530   8.244 -13.801
  981   2HD1  LEU 131          HD12      LEU 131  -6.369   9.870 -14.497
  982   3HD1  LEU 131          HD13      LEU 131  -6.819   9.678 -12.810
  983   1HD2  LEU 131          HD21      LEU 131 -10.048  10.606 -14.509
  984   2HD2  LEU 131          HD22      LEU 131  -8.916  11.099 -13.250
  985   3HD2  LEU 131          HD23      LEU 131  -8.450  11.249 -14.955
  986    H    LYS 132           H        LYS 132  -9.250   7.751 -18.628
  987    HA   LYS 132           HA       LYS 132  -7.279   5.821 -19.257
  988   1HB   LYS 132          HB2       LYS 132  -9.389   5.294 -19.962
  989   2HB   LYS 132          HB3       LYS 132  -9.774   6.892 -20.531
  990   1HG   LYS 132          HG2       LYS 132  -7.784   5.149 -22.030
  991   2HG   LYS 132          HG3       LYS 132  -9.530   4.953 -22.202
  992   1HD   LYS 132          HD2       LYS 132  -9.415   7.625 -22.589
  993   2HD   LYS 132          HD3       LYS 132  -7.795   7.203 -23.164
  994   1HE   LYS 132          HE2       LYS 132  -8.697   5.712 -24.834
  995   2HE   LYS 132          HE3       LYS 132 -10.312   5.790 -24.113
  996   1HZ   LYS 132          HZ1       LYS 132 -10.217   7.212 -26.023
  997   2HZ   LYS 132          HZ2       LYS 132 -10.396   8.145 -24.686
  998   3HZ   LYS 132          HZ3       LYS 132  -8.939   8.045 -25.445
  999    H    GLU 133           H        GLU 133  -7.856   9.030 -20.830
 1000    HA   GLU 133           HA       GLU 133  -5.600   8.796 -22.605
 1001   1HB   GLU 133          HB2       GLU 133  -6.978  11.212 -21.334
 1002   2HB   GLU 133          HB3       GLU 133  -5.560  11.352 -22.372
 1003   1HG   GLU 133          HG2       GLU 133  -6.792  10.297 -24.236
 1004   2HG   GLU 133          HG3       GLU 133  -8.248  10.221 -23.229
 1005    H    PHE 134           H        PHE 134  -5.885  10.254 -19.337
 1006    HA   PHE 134           HA       PHE 134  -3.241  11.125 -19.161
 1007   1HB   PHE 134          HB2       PHE 134  -4.950  11.896 -17.699
 1008   2HB   PHE 134          HB3       PHE 134  -5.312  10.264 -17.146
 1009    HD1  PHE 134           HD1      PHE 134  -4.061   9.155 -15.482
 1010    HD2  PHE 134           HD2      PHE 134  -2.918  13.074 -16.843
 1011    HE1  PHE 134           HE1      PHE 134  -2.494   9.365 -13.553
 1012    HE2  PHE 134           HE2      PHE 134  -1.308  13.260 -14.975
 1013    HZ   PHE 134           HZ       PHE 134  -1.114  11.406 -13.322
 1014    H    ALA 135           H        ALA 135  -4.586   7.921 -18.419
 1015    HA   ALA 135           HA       ALA 135  -2.153   6.830 -17.389
 1016   1HB   ALA 135          HB1       ALA 135  -4.621   5.442 -18.511
 1017   2HB   ALA 135          HB2       ALA 135  -3.325   4.664 -17.578
 1018   3HB   ALA 135          HB3       ALA 135  -4.346   5.897 -16.814
 1019    H    GLU 136           H        GLU 136  -3.755   6.640 -20.589
 1020    HA   GLU 136           HA       GLU 136  -1.823   4.827 -21.687
 1021   1HB   GLU 136          HB2       GLU 136  -4.001   6.525 -22.949
 1022   2HB   GLU 136          HB3       GLU 136  -2.938   5.466 -23.885
 1023   1HG   GLU 136          HG2       GLU 136  -3.636   3.531 -22.468
 1024   2HG   GLU 136          HG3       GLU 136  -4.833   4.550 -21.682
 1025    H    THR 137           H        THR 137  -2.256   8.339 -21.887
 1026    HA   THR 137           HA       THR 137  -0.150   8.583 -23.821
 1027    HB   THR 137           HB       THR 137  -0.804  10.877 -23.984
 1028    HG1  THR 137           HG1      THR 137  -2.658  10.350 -21.918
 1029   1HG2  THR 137          HG21      THR 137  -3.137  10.588 -24.718
 1030   2HG2  THR 137          HG22      THR 137  -2.131   9.215 -25.220
 1031   3HG2  THR 137          HG23      THR 137  -3.241   9.037 -23.854
 1032    H    GLY 138           H        GLY 138  -0.481   8.881 -20.339
 1033   1HA   GLY 138          HA1       GLY 138   0.951   9.543 -18.692
 1034   2HA   GLY 138          HA2       GLY 138   2.302   9.507 -19.851
 1035    H    LYS 139           H        LYS 139  -0.774  11.259 -19.914
 1036    HA   LYS 139           HA       LYS 139  -0.115  13.544 -21.163
 1037   1HB   LYS 139          HB2       LYS 139  -2.388  12.720 -20.373
 1038   2HB   LYS 139          HB3       LYS 139  -2.010  13.402 -18.801
 1039   1HG   LYS 139          HG2       LYS 139  -3.314  15.050 -19.764
 1040   2HG   LYS 139          HG3       LYS 139  -1.682  15.649 -20.012
 1041   1HD   LYS 139          HD2       LYS 139  -2.977  16.000 -22.029
 1042   2HD   LYS 139          HD3       LYS 139  -1.768  14.757 -22.383
 1043   1HE   LYS 139          HE2       LYS 139  -3.448  12.984 -22.177
 1044   2HE   LYS 139          HE3       LYS 139  -4.647  14.136 -21.576
 1045   1HZ   LYS 139          HZ1       LYS 139  -3.553  14.032 -24.319
 1046   2HZ   LYS 139          HZ2       LYS 139  -5.099  13.710 -23.855
 1047   3HZ   LYS 139          HZ3       LYS 139  -4.524  15.233 -23.778
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1   3.086  -1.354  -4.883
    2   2H    MET   1           H2       MET   1   2.762  -2.545  -3.791
    3   3H    MET   1           H3       MET   1   1.610  -1.434  -4.171
    4    HA   MET   1           HA       MET   1   2.465  -0.902  -2.059
    5   1HB   MET   1          HB2       MET   1   4.671  -2.026  -2.393
    6   2HB   MET   1          HB3       MET   1   5.177  -0.702  -3.448
    7   1HG   MET   1          HG2       MET   1   6.066  -0.487  -1.167
    8   2HG   MET   1          HG3       MET   1   5.045   0.877  -1.595
    9   1HE   MET   1          HE1       MET   1   4.528   0.608   2.264
   10   2HE   MET   1          HE2       MET   1   6.021   0.271   1.362
   11   3HE   MET   1          HE3       MET   1   4.996   1.649   0.900
   12    H    GLU   2           H        GLU   2   2.237   1.270  -1.465
   13    HA   GLU   2           HA       GLU   2   1.535   3.226  -3.391
   14   1HB   GLU   2          HB2       GLU   2   1.667   4.806  -1.497
   15   2HB   GLU   2          HB3       GLU   2   0.732   3.357  -1.125
   16   1HG   GLU   2          HG2       GLU   2   2.734   2.441   0.103
   17   2HG   GLU   2          HG3       GLU   2   3.579   3.961  -0.204
   18    H    ASN   3           H        ASN   3   2.697   4.931  -4.355
   19    HA   ASN   3           HA       ASN   3   5.609   5.126  -3.949
   20   1HB   ASN   3          HB2       ASN   3   5.638   3.183  -5.275
   21   2HB   ASN   3          HB3       ASN   3   4.275   3.698  -6.250
   22   1HD2  ASN   3          HD22      ASN   3   4.591   4.918  -8.069
   23   2HD2  ASN   3          HD21      ASN   3   6.184   5.358  -8.667
   24    H    LYS   4           H        LYS   4   2.740   6.030  -5.838
   25    HA   LYS   4           HA       LYS   4   3.785   8.819  -6.126
   26   1HB   LYS   4          HB2       LYS   4   2.408   6.967  -8.099
   27   2HB   LYS   4          HB3       LYS   4   2.129   8.703  -8.219
   28   1HG   LYS   4          HG2       LYS   4   4.304   9.213  -8.796
   29   2HG   LYS   4          HG3       LYS   4   4.987   7.812  -7.982
   30   1HD   LYS   4          HD2       LYS   4   5.225   7.631 -10.401
   31   2HD   LYS   4          HD3       LYS   4   4.254   6.318  -9.731
   32   1HE   LYS   4          HE2       LYS   4   2.188   7.420 -10.465
   33   2HE   LYS   4          HE3       LYS   4   3.136   8.738 -11.185
   34   1HZ   LYS   4          HZ1       LYS   4   3.299   5.861 -11.935
   35   2HZ   LYS   4          HZ2       LYS   4   2.546   7.032 -12.811
   36   3HZ   LYS   4          HZ3       LYS   4   4.169   7.070 -12.637
   37    H    ILE   5           H        ILE   5   1.818  10.345  -6.446
   38    HA   ILE   5           HA       ILE   5  -0.559   9.512  -4.907
   39    HB   ILE   5           HB       ILE   5   1.246  11.853  -4.200
   40   1HG1  ILE   5          HG12      ILE   5   0.611   9.392  -2.561
   41   2HG1  ILE   5          HG13      ILE   5   2.162   9.854  -3.247
   42   1HG2  ILE   5          HG21      ILE   5  -1.468  11.072  -3.046
   43   2HG2  ILE   5          HG22      ILE   5  -0.456  12.403  -2.428
   44   3HG2  ILE   5          HG23      ILE   5  -1.143  12.511  -4.025
   45   1HD1  ILE   5          HD11      ILE   5   2.262  10.366  -0.932
   46   2HD1  ILE   5          HD12      ILE   5   2.134  11.917  -1.784
   47   3HD1  ILE   5          HD13      ILE   5   0.720  11.229  -0.953
   48    H    ILE   6           H        ILE   6  -2.372  10.553  -5.759
   49    HA   ILE   6           HA       ILE   6  -1.965  12.893  -7.533
   50    HB   ILE   6           HB       ILE   6  -2.184  11.130  -9.082
   51   1HG1  ILE   6          HG12      ILE   6  -4.932  12.415  -8.756
   52   2HG1  ILE   6          HG13      ILE   6  -3.524  13.134  -9.541
   53   1HG2  ILE   6          HG21      ILE   6  -4.014   9.440  -9.050
   54   2HG2  ILE   6          HG22      ILE   6  -2.957   9.300  -7.667
   55   3HG2  ILE   6          HG23      ILE   6  -4.542  10.078  -7.480
   56   1HD1  ILE   6          HD11      ILE   6  -3.578  11.159 -11.177
   57   2HD1  ILE   6          HD12      ILE   6  -5.160  10.750 -10.478
   58   3HD1  ILE   6          HD13      ILE   6  -4.930  12.305 -11.279
   59    H    TYR   7           H        TYR   7  -3.435  14.505  -7.148
   60    HA   TYR   7           HA       TYR   7  -5.458  14.028  -5.013
   61   1HB   TYR   7          HB2       TYR   7  -3.270  14.900  -4.194
   62   2HB   TYR   7          HB3       TYR   7  -3.477  16.320  -5.209
   63    HD1  TYR   7           HD1      TYR   7  -5.605  14.363  -2.786
   64    HD2  TYR   7           HD2      TYR   7  -4.055  18.208  -3.929
   65    HE1  TYR   7           HE1      TYR   7  -6.680  15.369  -0.795
   66    HE2  TYR   7           HE2      TYR   7  -5.112  19.229  -1.924
   67    HH   TYR   7           HH       TYR   7  -6.960  17.299   0.461
   68    H    PHE   8           H        PHE   8  -7.384  14.337  -6.004
   69    HA   PHE   8           HA       PHE   8  -7.684  16.238  -8.231
   70   1HB   PHE   8          HB2       PHE   8  -9.673  14.461  -6.744
   71   2HB   PHE   8          HB3       PHE   8 -10.089  15.493  -8.101
   72    HD1  PHE   8           HD1      PHE   8  -8.724  12.267  -7.130
   73    HD2  PHE   8           HD2      PHE   8  -8.949  15.137 -10.343
   74    HE1  PHE   8           HE1      PHE   8  -7.966  10.539  -8.745
   75    HE2  PHE   8           HE2      PHE   8  -8.172  13.406 -11.945
   76    HZ   PHE   8           HZ       PHE   8  -7.667  11.116 -11.135
   77    H    LEU   9           H        LEU   9  -8.942  18.110  -8.224
   78    HA   LEU   9           HA       LEU   9  -9.911  19.191  -5.651
   79   1HB   LEU   9          HB2       LEU   9  -7.449  19.684  -6.074
   80   2HB   LEU   9          HB3       LEU   9  -7.896  20.514  -7.546
   81    HG   LEU   9           HG       LEU   9  -7.337  21.989  -5.667
   82   1HD1  LEU   9          HD11      LEU   9  -9.025  23.610  -5.914
   83   2HD1  LEU   9          HD12      LEU   9  -9.007  22.711  -7.442
   84   3HD1  LEU   9          HD13      LEU   9 -10.277  22.409  -6.226
   85   1HD2  LEU   9          HD21      LEU   9  -8.847  22.280  -3.771
   86   2HD2  LEU   9          HD22      LEU   9  -9.823  20.905  -4.297
   87   3HD2  LEU   9          HD23      LEU   9  -8.142  20.641  -3.802
   88    H    CYS  10           H        CYS  10 -11.867  20.294  -6.024
   89    HA   CYS  10           HA       CYS  10 -12.424  21.484  -8.645
   90   1HB   CYS  10          HB2       CYS  10 -13.092  18.928  -8.554
   91   2HB   CYS  10          HB3       CYS  10 -14.417  19.471  -7.523
   92    HG   CYS  10           HG       CYS  10 -13.541  20.634 -10.522
   93    H    THR  11           H        THR  11 -14.824  22.582  -8.455
   94    HA   THR  11           HA       THR  11 -14.683  24.236  -6.132
   95    HB   THR  11           HB       THR  11 -17.017  24.982  -7.097
   96    HG1  THR  11           HG1      THR  11 -17.139  24.577  -9.298
   97   1HG2  THR  11          HG21      THR  11 -15.838  26.484  -8.582
   98   2HG2  THR  11          HG22      THR  11 -14.835  26.215  -7.143
   99   3HG2  THR  11          HG23      THR  11 -14.440  25.398  -8.658
  100    H    GLY  12           H        GLY  12 -15.919  21.127  -6.356
  101   1HA   GLY  12          HA1       GLY  12 -16.739  21.269  -3.637
  102   2HA   GLY  12          HA2       GLY  12 -18.120  20.897  -4.701
  103    H    ASN  13           H        ASN  13 -15.909  19.411  -2.855
  104    HA   ASN  13           HA       ASN  13 -14.562  17.520  -4.504
  105   1HB   ASN  13          HB2       ASN  13 -14.074  18.025  -2.100
  106   2HB   ASN  13          HB3       ASN  13 -15.566  17.236  -1.627
  107   1HD2  ASN  13          HD22      ASN  13 -13.029  16.526  -0.668
  108   2HD2  ASN  13          HD21      ASN  13 -12.578  14.943  -1.269
  109    H    SER  14           H        SER  14 -17.616  17.397  -2.783
  110    HA   SER  14           HA       SER  14 -18.406  14.913  -2.648
  111   1HB   SER  14          HB2       SER  14 -20.147  17.312  -3.344
  112   2HB   SER  14          HB3       SER  14 -20.647  15.873  -2.425
  113    HG   SER  14           HG       SER  14 -19.116  16.357  -0.889
  114    H    CYS  15           H        CYS  15 -18.287  16.441  -5.780
  115    HA   CYS  15           HA       CYS  15 -19.836  14.176  -6.936
  116   1HB   CYS  15          HB2       CYS  15 -20.494  15.812  -8.748
  117   2HB   CYS  15          HB3       CYS  15 -21.239  16.064  -7.169
  118    HG   CYS  15           HG       CYS  15 -20.835  18.450  -7.981
  119    H    ARG  16           H        ARG  16 -17.918  16.728  -8.453
  120    HA   ARG  16           HA       ARG  16 -16.891  14.970 -10.397
  121   1HB   ARG  16          HB2       ARG  16 -16.081  17.774  -9.519
  122   2HB   ARG  16          HB3       ARG  16 -15.350  16.990 -10.916
  123   1HG   ARG  16          HG2       ARG  16 -17.309  16.965 -12.167
  124   2HG   ARG  16          HG3       ARG  16 -18.381  17.062 -10.776
  125   1HD   ARG  16          HD2       ARG  16 -16.588  19.337 -11.676
  126   2HD   ARG  16          HD3       ARG  16 -18.276  19.145 -12.159
  127    HE   ARG  16           HE       ARG  16 -18.385  19.023  -9.406
  128   1HH1  ARG  16          HH22      ARG  16 -17.228  21.441 -11.752
  129   2HH1  ARG  16          HH21      ARG  16 -17.264  22.732 -10.585
  130   1HH2  ARG  16          HH11      ARG  16 -18.501  20.799  -7.926
  131   2HH2  ARG  16          HH12      ARG  16 -17.938  22.364  -8.441
  132    H    SER  17           H        SER  17 -15.173  16.198  -7.419
  133    HA   SER  17           HA       SER  17 -12.767  14.847  -8.170
  134   1HB   SER  17          HB2       SER  17 -13.545  15.646  -5.369
  135   2HB   SER  17          HB3       SER  17 -11.926  15.523  -6.085
  136    HG   SER  17           HG       SER  17 -12.574  17.652  -5.893
  137    H    GLN  18           H        GLN  18 -15.516  13.906  -6.028
  138    HA   GLN  18           HA       GLN  18 -14.412  11.432  -5.157
  139   1HB   GLN  18          HB2       GLN  18 -17.302  12.328  -5.639
  140   2HB   GLN  18          HB3       GLN  18 -16.885  10.784  -4.913
  141   1HG   GLN  18          HG2       GLN  18 -16.115  13.487  -3.770
  142   2HG   GLN  18          HG3       GLN  18 -17.474  12.521  -3.241
  143   1HE2  GLN  18          HE22      GLN  18 -14.420  13.318  -2.355
  144   2HE2  GLN  18          HE21      GLN  18 -14.068  11.906  -1.358
  145    H    MET  19           H        MET  19 -16.379  12.180  -8.084
  146    HA   MET  19           HA       MET  19 -16.523   9.469  -9.018
  147   1HB   MET  19          HB2       MET  19 -16.750  12.151 -10.460
  148   2HB   MET  19          HB3       MET  19 -17.088  10.589 -11.220
  149   1HG   MET  19          HG2       MET  19 -18.952  10.164  -9.800
  150   2HG   MET  19          HG3       MET  19 -18.494  11.431  -8.679
  151   1HE   MET  19          HE1       MET  19 -18.835  11.553 -12.676
  152   2HE   MET  19          HE2       MET  19 -20.192  10.569 -12.072
  153   3HE   MET  19          HE3       MET  19 -20.499  12.166 -12.789
  154    H    ALA  20           H        ALA  20 -14.264  12.188  -9.856
  155    HA   ALA  20           HA       ALA  20 -12.711  10.785 -11.727
  156   1HB   ALA  20          HB1       ALA  20 -12.591  13.245 -11.294
  157   2HB   ALA  20          HB2       ALA  20 -11.770  12.909  -9.754
  158   3HB   ALA  20          HB3       ALA  20 -11.000  12.464 -11.290
  159    H    GLU  21           H        GLU  21 -12.368  10.959  -8.169
  160    HA   GLU  21           HA       GLU  21  -9.980   9.484  -7.924
  161   1HB   GLU  21          HB2       GLU  21 -10.831  10.721  -6.069
  162   2HB   GLU  21          HB3       GLU  21 -12.365   9.841  -6.062
  163   1HG   GLU  21          HG2       GLU  21 -11.250   7.786  -5.407
  164   2HG   GLU  21          HG3       GLU  21  -9.673   8.558  -5.477
  165    H    GLY  22           H        GLY  22 -13.406   8.296  -7.918
  166   1HA   GLY  22          HA1       GLY  22 -12.823   5.582  -7.562
  167   2HA   GLY  22          HA2       GLY  22 -14.254   6.221  -8.364
  168    H    TRP  23           H        TRP  23 -13.028   7.418 -10.741
  169    HA   TRP  23           HA       TRP  23 -12.532   4.978 -12.255
  170   1HB   TRP  23          HB2       TRP  23 -12.151   7.898 -13.017
  171   2HB   TRP  23          HB3       TRP  23 -11.895   6.551 -14.105
  172    HD1  TRP  23           HD1      TRP  23 -14.618   8.595 -12.512
  173    HE1  TRP  23           HE1      TRP  23 -16.809   8.256 -13.724
  174    HE3  TRP  23           HE3      TRP  23 -13.301   4.623 -15.477
  175    HZ2  TRP  23           HZ2      TRP  23 -17.842   6.614 -15.824
  176    HZ3  TRP  23           HZ3      TRP  23 -14.907   3.765 -17.160
  177    HH2  TRP  23           HH2      TRP  23 -17.181   4.786 -17.360
  178    H    ALA  24           H        ALA  24 -10.394   7.567 -10.934
  179    HA   ALA  24           HA       ALA  24  -8.107   6.759 -12.350
  180   1HB   ALA  24          HB1       ALA  24  -6.842   8.082 -10.710
  181   2HB   ALA  24          HB2       ALA  24  -8.366   8.920 -11.058
  182   3HB   ALA  24          HB3       ALA  24  -8.191   8.003  -9.557
  183    H    LYS  25           H        LYS  25  -9.384   5.559  -9.247
  184    HA   LYS  25           HA       LYS  25  -7.167   3.958  -8.519
  185   1HB   LYS  25          HB2       LYS  25 -10.149   3.599  -8.066
  186   2HB   LYS  25          HB3       LYS  25  -8.943   2.522  -7.350
  187   1HG   LYS  25          HG2       LYS  25  -7.941   4.284  -6.060
  188   2HG   LYS  25          HG3       LYS  25  -8.832   5.537  -6.933
  189   1HD   LYS  25          HD2       LYS  25 -10.975   4.633  -6.081
  190   2HD   LYS  25          HD3       LYS  25 -10.088   3.407  -5.141
  191   1HE   LYS  25          HE2       LYS  25  -8.983   5.140  -3.823
  192   2HE   LYS  25          HE3       LYS  25  -9.607   6.400  -4.894
  193   1HZ   LYS  25          HZ1       LYS  25 -10.971   6.434  -3.042
  194   2HZ   LYS  25          HZ2       LYS  25 -11.875   5.713  -4.174
  195   3HZ   LYS  25          HZ3       LYS  25 -11.177   4.784  -2.989
  196    H    GLN  26           H        GLN  26  -9.669   3.347 -10.971
  197    HA   GLN  26           HA       GLN  26  -8.968   0.552 -11.345
  198   1HB   GLN  26          HB2       GLN  26 -10.216   2.431 -13.364
  199   2HB   GLN  26          HB3       GLN  26 -10.161   0.678 -13.425
  200   1HG   GLN  26          HG2       GLN  26 -11.618   0.613 -11.365
  201   2HG   GLN  26          HG3       GLN  26 -11.776   2.382 -11.485
  202   1HE2  GLN  26          HE22      GLN  26 -12.028   2.963 -14.067
  203   2HE2  GLN  26          HE21      GLN  26 -13.407   2.162 -14.802
  204    H    TYR  27           H        TYR  27  -8.391   3.502 -13.259
  205    HA   TYR  27           HA       TYR  27  -6.732   2.190 -15.153
  206   1HB   TYR  27          HB2       TYR  27  -7.090   5.147 -14.534
  207   2HB   TYR  27          HB3       TYR  27  -6.194   4.536 -15.913
  208    HD1  TYR  27           HD1      TYR  27  -7.442   2.804 -17.472
  209    HD2  TYR  27           HD2      TYR  27  -9.407   5.624 -14.865
  210    HE1  TYR  27           HE1      TYR  27  -9.481   2.668 -18.868
  211    HE2  TYR  27           HE2      TYR  27 -11.408   5.569 -16.306
  212    HH   TYR  27           HH       TYR  27 -12.427   4.609 -18.181
  213    H    LEU  28           H        LEU  28  -5.819   4.087 -12.267
  214    HA   LEU  28           HA       LEU  28  -3.023   4.195 -13.147
  215   1HB   LEU  28          HB2       LEU  28  -4.364   5.253 -10.627
  216   2HB   LEU  28          HB3       LEU  28  -2.742   5.608 -11.169
  217    HG   LEU  28           HG       LEU  28  -5.309   6.476 -12.517
  218   1HD1  LEU  28          HD11      LEU  28  -4.540   7.739 -10.521
  219   2HD1  LEU  28          HD12      LEU  28  -2.996   8.061 -11.331
  220   3HD1  LEU  28          HD13      LEU  28  -4.504   8.717 -12.001
  221   1HD2  LEU  28          HD21      LEU  28  -3.910   7.647 -14.166
  222   2HD2  LEU  28          HD22      LEU  28  -2.458   6.852 -13.522
  223   3HD2  LEU  28          HD23      LEU  28  -3.743   5.911 -14.317
  224    H    GLY  29           H        GLY  29  -4.863   2.564 -10.596
  225   1HA   GLY  29          HA1       GLY  29  -4.383   0.553  -9.573
  226   2HA   GLY  29          HA2       GLY  29  -2.844   0.475 -10.432
  227    H    ASP  30           H        ASP  30  -2.559  -0.407  -8.098
  228    HA   ASP  30           HA       ASP  30  -2.593   1.226  -5.819
  229   1HB   ASP  30          HB2       ASP  30  -2.695  -1.240  -5.873
  230   2HB   ASP  30          HB3       ASP  30  -1.005  -1.289  -6.394
  231    H    GLU  31           H        GLU  31  -0.172   1.089  -8.284
  232    HA   GLU  31           HA       GLU  31   2.168   1.959  -6.943
  233   1HB   GLU  31          HB2       GLU  31   1.969   1.290  -9.355
  234   2HB   GLU  31          HB3       GLU  31   1.074   2.776  -9.678
  235   1HG   GLU  31          HG2       GLU  31   3.085   4.097  -8.956
  236   2HG   GLU  31          HG3       GLU  31   3.965   2.583  -8.746
  237    H    TRP  32           H        TRP  32  -0.907   3.571  -7.417
  238    HA   TRP  32           HA       TRP  32   0.324   6.148  -6.563
  239   1HB   TRP  32          HB2       TRP  32  -2.267   5.833  -8.105
  240   2HB   TRP  32          HB3       TRP  32  -1.428   7.315  -7.716
  241    HD1  TRP  32           HD1      TRP  32  -0.707   4.133  -9.794
  242    HE1  TRP  32           HE1      TRP  32  -0.049   4.835 -12.149
  243    HE3  TRP  32           HE3      TRP  32  -0.604   9.210  -9.133
  244    HZ2  TRP  32           HZ2      TRP  32   0.310   7.246 -13.621
  245    HZ3  TRP  32           HZ3      TRP  32  -0.188  10.694 -11.060
  246    HH2  TRP  32           HH2      TRP  32   0.264   9.705 -13.332
  247    H    LYS  33           H        LYS  33  -0.639   7.154  -4.830
  248    HA   LYS  33           HA       LYS  33  -2.995   5.903  -3.491
  249   1HB   LYS  33          HB2       LYS  33  -1.206   8.220  -2.683
  250   2HB   LYS  33          HB3       LYS  33  -2.629   7.640  -1.801
  251   1HG   LYS  33          HG2       LYS  33  -1.513   5.283  -1.926
  252   2HG   LYS  33          HG3       LYS  33  -0.025   6.153  -2.337
  253   1HD   LYS  33          HD2       LYS  33  -1.770   6.687   0.086
  254   2HD   LYS  33          HD3       LYS  33  -0.383   5.579   0.097
  255   1HE   LYS  33          HE2       LYS  33   1.024   7.569  -0.781
  256   2HE   LYS  33          HE3       LYS  33  -0.343   8.601  -0.333
  257   1HZ   LYS  33          HZ1       LYS  33  -0.071   7.743   1.961
  258   2HZ   LYS  33          HZ2       LYS  33   1.229   6.851   1.476
  259   3HZ   LYS  33          HZ3       LYS  33   1.287   8.488   1.440
  260    H    VAL  34           H        VAL  34  -4.952   7.084  -3.438
  261    HA   VAL  34           HA       VAL  34  -5.113   9.401  -5.319
  262    HB   VAL  34           HB       VAL  34  -7.117   7.117  -5.268
  263   1HG1  VAL  34          HG11      VAL  34  -7.971   8.071  -7.270
  264   2HG1  VAL  34          HG12      VAL  34  -7.735   9.445  -6.177
  265   3HG1  VAL  34          HG13      VAL  34  -6.570   9.139  -7.472
  266   1HG2  VAL  34          HG21      VAL  34  -6.167   6.356  -7.451
  267   2HG2  VAL  34          HG22      VAL  34  -4.766   7.414  -7.185
  268   3HG2  VAL  34          HG23      VAL  34  -5.090   6.054  -6.090
  269    H    TYR  35           H        TYR  35  -6.066  11.074  -4.340
  270    HA   TYR  35           HA       TYR  35  -8.338  10.530  -2.550
  271   1HB   TYR  35          HB2       TYR  35  -6.711  12.837  -1.676
  272   2HB   TYR  35          HB3       TYR  35  -7.701  11.745  -0.761
  273    HD1  TYR  35           HD1      TYR  35  -4.352  12.432  -2.105
  274    HD2  TYR  35           HD2      TYR  35  -6.721   9.688   0.234
  275    HE1  TYR  35           HE1      TYR  35  -2.305  11.597  -1.039
  276    HE2  TYR  35           HE2      TYR  35  -4.660   8.780   1.261
  277    HH   TYR  35           HH       TYR  35  -2.370   9.009   1.475
  278    H    SER  36           H        SER  36  -9.558  12.624  -2.187
  279    HA   SER  36           HA       SER  36  -9.387  14.505  -4.464
  280   1HB   SER  36          HB2       SER  36 -11.945  14.230  -4.487
  281   2HB   SER  36          HB3       SER  36 -10.993  12.929  -5.227
  282    HG   SER  36           HG       SER  36 -11.350  11.668  -3.445
  283    H    ALA  37           H        ALA  37  -9.939  16.572  -3.927
  284    HA   ALA  37           HA       ALA  37 -11.284  17.134  -1.358
  285   1HB   ALA  37          HB1       ALA  37  -8.778  18.527  -2.317
  286   2HB   ALA  37          HB2       ALA  37  -9.755  18.831  -0.848
  287   3HB   ALA  37          HB3       ALA  37  -8.883  17.312  -1.007
  288    H    GLY  38           H        GLY  38 -11.536  19.794  -1.535
  289   1HA   GLY  38          HA1       GLY  38 -12.007  20.798  -4.164
  290   2HA   GLY  38          HA2       GLY  38 -13.525  20.366  -3.363
  291    H    ILE  39           H        ILE  39 -13.265  22.895  -3.987
  292    HA   ILE  39           HA       ILE  39 -12.216  24.730  -2.075
  293    HB   ILE  39           HB       ILE  39 -14.538  24.694  -4.009
  294   1HG1  ILE  39          HG12      ILE  39 -13.395  26.531  -5.096
  295   2HG1  ILE  39          HG13      ILE  39 -12.235  26.647  -3.786
  296   1HG2  ILE  39          HG21      ILE  39 -15.506  25.998  -2.212
  297   2HG2  ILE  39          HG22      ILE  39 -14.037  26.998  -2.099
  298   3HG2  ILE  39          HG23      ILE  39 -15.070  27.054  -3.546
  299   1HD1  ILE  39          HD11      ILE  39 -11.266  24.447  -4.456
  300   2HD1  ILE  39          HD12      ILE  39 -12.469  24.373  -5.781
  301   3HD1  ILE  39          HD13      ILE  39 -11.233  25.630  -5.755
  302    H    GLU  40           H        GLU  40 -15.224  22.800  -2.166
  303    HA   GLU  40           HA       GLU  40 -15.207  22.765   0.755
  304   1HB   GLU  40          HB2       GLU  40 -17.532  23.357   1.023
  305   2HB   GLU  40          HB3       GLU  40 -16.648  24.680   0.279
  306   1HG   GLU  40          HG2       GLU  40 -17.551  24.029  -1.959
  307   2HG   GLU  40          HG3       GLU  40 -18.443  22.704  -1.211
  308    H    ALA  41           H        ALA  41 -17.148  21.214   1.432
  309    HA   ALA  41           HA       ALA  41 -17.735  19.081  -0.517
  310   1HB   ALA  41          HB1       ALA  41 -16.329  18.633   2.165
  311   2HB   ALA  41          HB2       ALA  41 -17.046  17.367   1.155
  312   3HB   ALA  41          HB3       ALA  41 -15.655  18.303   0.554
  313    H    HIS  42           H        HIS  42 -19.894  18.761  -0.315
  314    HA   HIS  42           HA       HIS  42 -21.386  19.768   2.017
  315   1HB   HIS  42          HB2       HIS  42 -22.146  19.906  -0.403
  316   2HB   HIS  42          HB3       HIS  42 -22.361  18.158  -0.382
  317    HD1  HIS  42           HD1      HIS  42 -23.776  18.306   2.693
  318    HD2  HIS  42           HD2      HIS  42 -24.730  20.352  -0.862
  319    HE1  HIS  42           HE1      HIS  42 -26.226  18.990   2.894
  320    H    GLY  43           H        GLY  43 -20.197  16.732   0.677
  321   1HA   GLY  43          HA1       GLY  43 -20.080  15.021   2.807
  322   2HA   GLY  43          HA2       GLY  43 -21.775  14.937   2.263
  323    H    LEU  44           H        LEU  44 -21.279  12.705   1.505
  324    HA   LEU  44           HA       LEU  44 -19.759  12.610  -1.066
  325   1HB   LEU  44          HB2       LEU  44 -19.236  10.821   0.506
  326   2HB   LEU  44          HB3       LEU  44 -20.952  10.418   0.679
  327    HG   LEU  44           HG       LEU  44 -21.100   9.676  -1.603
  328   1HD1  LEU  44          HD11      LEU  44 -19.599  11.148  -2.825
  329   2HD1  LEU  44          HD12      LEU  44 -18.206  10.550  -1.888
  330   3HD1  LEU  44          HD13      LEU  44 -19.041   9.492  -3.043
  331   1HD2  LEU  44          HD21      LEU  44 -18.631   8.592  -0.192
  332   2HD2  LEU  44          HD22      LEU  44 -20.303   8.064   0.071
  333   3HD2  LEU  44          HD23      LEU  44 -19.500   7.754  -1.481
  334    H    ASN  45           H        ASN  45 -21.049  13.232  -2.794
  335    HA   ASN  45           HA       ASN  45 -23.850  13.674  -2.415
  336   1HB   ASN  45          HB2       ASN  45 -22.326  14.947  -3.951
  337   2HB   ASN  45          HB3       ASN  45 -22.332  13.565  -5.052
  338   1HD2  ASN  45          HD22      ASN  45 -23.457  16.471  -5.176
  339   2HD2  ASN  45          HD21      ASN  45 -25.102  16.219  -5.707
  340    HA   PRO  46           HA       PRO  46 -25.171   9.399  -3.269
  341   1HB   PRO  46          HB2       PRO  46 -27.723  10.838  -4.011
  342   2HB   PRO  46          HB3       PRO  46 -27.510   9.347  -3.039
  343   1HG   PRO  46          HG2       PRO  46 -27.973  11.721  -1.813
  344   2HG   PRO  46          HG3       PRO  46 -26.735  10.599  -1.157
  345   1HD   PRO  46          HD2       PRO  46 -26.320  13.049  -2.885
  346   2HD   PRO  46          HD3       PRO  46 -25.412  12.515  -1.437
  347    H    ASN  47           H        ASN  47 -25.698  12.124  -5.568
  348    HA   ASN  47           HA       ASN  47 -26.219  10.464  -7.840
  349   1HB   ASN  47          HB2       ASN  47 -26.464  12.353  -8.939
  350   2HB   ASN  47          HB3       ASN  47 -26.248  13.219  -7.439
  351   1HD2  ASN  47          HD22      ASN  47 -25.157  12.891 -10.654
  352   2HD2  ASN  47          HD21      ASN  47 -23.599  13.664 -10.480
  353    H    ALA  48           H        ALA  48 -23.179  11.543  -6.298
  354    HA   ALA  48           HA       ALA  48 -21.493  10.639  -8.451
  355   1HB   ALA  48          HB1       ALA  48 -20.781  12.297  -6.731
  356   2HB   ALA  48          HB2       ALA  48 -20.820  11.031  -5.490
  357   3HB   ALA  48          HB3       ALA  48 -19.675  10.914  -6.831
  358    H    VAL  49           H        VAL  49 -22.691   9.214  -5.364
  359    HA   VAL  49           HA       VAL  49 -21.230   6.788  -5.571
  360    HB   VAL  49           HB       VAL  49 -23.928   7.158  -4.224
  361   1HG1  VAL  49          HG11      VAL  49 -23.160   5.255  -2.839
  362   2HG1  VAL  49          HG12      VAL  49 -23.256   4.784  -4.541
  363   3HG1  VAL  49          HG13      VAL  49 -21.675   5.131  -3.820
  364   1HG2  VAL  49          HG21      VAL  49 -22.365   8.806  -3.319
  365   2HG2  VAL  49          HG22      VAL  49 -22.541   7.498  -2.155
  366   3HG2  VAL  49          HG23      VAL  49 -21.093   7.582  -3.185
  367    H    LYS  50           H        LYS  50 -24.625   7.560  -6.648
  368    HA   LYS  50           HA       LYS  50 -24.927   4.935  -7.691
  369   1HB   LYS  50          HB2       LYS  50 -26.782   6.591  -7.073
  370   2HB   LYS  50          HB3       LYS  50 -26.523   7.331  -8.667
  371   1HG   LYS  50          HG2       LYS  50 -26.911   5.061  -9.713
  372   2HG   LYS  50          HG3       LYS  50 -27.198   4.394  -8.099
  373   1HD   LYS  50          HD2       LYS  50 -29.135   5.940  -7.831
  374   2HD   LYS  50          HD3       LYS  50 -28.844   6.548  -9.478
  375   1HE   LYS  50          HE2       LYS  50 -29.173   4.263 -10.386
  376   2HE   LYS  50          HE3       LYS  50 -29.460   3.650  -8.752
  377   1HZ   LYS  50          HZ1       LYS  50 -31.422   5.075  -8.633
  378   2HZ   LYS  50          HZ2       LYS  50 -31.160   5.640 -10.146
  379   3HZ   LYS  50          HZ3       LYS  50 -31.531   4.072  -9.910
  380    H    ALA  51           H        ALA  51 -23.903   8.006  -9.320
  381    HA   ALA  51           HA       ALA  51 -23.944   7.021 -11.947
  382   1HB   ALA  51          HB1       ALA  51 -21.989   9.013 -10.693
  383   2HB   ALA  51          HB2       ALA  51 -22.252   8.788 -12.432
  384   3HB   ALA  51          HB3       ALA  51 -23.570   9.410 -11.417
  385    H    MET  52           H        MET  52 -21.276   6.842  -9.512
  386    HA   MET  52           HA       MET  52 -19.514   5.410 -11.278
  387   1HB   MET  52          HB2       MET  52 -19.635   5.834  -8.268
  388   2HB   MET  52          HB3       MET  52 -18.274   5.107  -9.118
  389   1HG   MET  52          HG2       MET  52 -19.332   7.935  -9.510
  390   2HG   MET  52          HG3       MET  52 -17.858   7.485  -8.669
  391   1HE   MET  52          HE1       MET  52 -15.658   6.786  -9.785
  392   2HE   MET  52          HE2       MET  52 -16.551   5.351 -10.331
  393   3HE   MET  52          HE3       MET  52 -15.526   6.217 -11.462
  394    H    LYS  53           H        LYS  53 -21.836   4.415  -8.700
  395    HA   LYS  53           HA       LYS  53 -21.062   1.709  -8.654
  396   1HB   LYS  53          HB2       LYS  53 -22.333   2.859  -6.909
  397   2HB   LYS  53          HB3       LYS  53 -23.731   3.015  -7.975
  398   1HG   LYS  53          HG2       LYS  53 -24.210   0.706  -7.928
  399   2HG   LYS  53          HG3       LYS  53 -22.600   0.270  -7.330
  400   1HD   LYS  53          HD2       LYS  53 -24.540   1.968  -5.705
  401   2HD   LYS  53          HD3       LYS  53 -24.514   0.187  -5.626
  402   1HE   LYS  53          HE2       LYS  53 -22.071   0.268  -5.079
  403   2HE   LYS  53          HE3       LYS  53 -22.141   2.028  -5.048
  404   1HZ   LYS  53          HZ1       LYS  53 -23.557   0.215  -3.192
  405   2HZ   LYS  53          HZ2       LYS  53 -22.241   1.149  -2.883
  406   3HZ   LYS  53          HZ3       LYS  53 -23.698   1.850  -3.181
  407    H    GLU  54           H        GLU  54 -23.357   3.399 -10.784
  408    HA   GLU  54           HA       GLU  54 -24.383   1.073 -12.057
  409   1HB   GLU  54          HB2       GLU  54 -24.160   4.001 -12.826
  410   2HB   GLU  54          HB3       GLU  54 -24.829   2.823 -13.957
  411   1HG   GLU  54          HG2       GLU  54 -25.872   3.212 -11.126
  412   2HG   GLU  54          HG3       GLU  54 -26.507   4.056 -12.533
  413    H    VAL  55           H        VAL  55 -21.227   2.551 -12.318
  414    HA   VAL  55           HA       VAL  55 -20.578   1.063 -14.794
  415    HB   VAL  55           HB       VAL  55 -18.845   2.857 -13.033
  416   1HG1  VAL  55          HG11      VAL  55 -17.424   1.423 -14.422
  417   2HG1  VAL  55          HG12      VAL  55 -18.371   1.844 -15.868
  418   3HG1  VAL  55          HG13      VAL  55 -17.394   3.067 -15.022
  419   1HG2  VAL  55          HG21      VAL  55 -20.702   4.164 -14.020
  420   2HG2  VAL  55          HG22      VAL  55 -19.174   4.558 -14.798
  421   3HG2  VAL  55          HG23      VAL  55 -20.340   3.487 -15.616
  422    H    GLY  56           H        GLY  56 -20.855   0.388 -11.477
  423   1HA   GLY  56          HA1       GLY  56 -20.313  -1.583 -10.394
  424   2HA   GLY  56          HA2       GLY  56 -19.104  -1.980 -11.624
  425    H    ILE  57           H        ILE  57 -19.018   1.304 -10.353
  426    HA   ILE  57           HA       ILE  57 -16.567   0.633  -8.797
  427    HB   ILE  57           HB       ILE  57 -17.327   3.257 -10.111
  428   1HG1  ILE  57          HG12      ILE  57 -15.362   1.128 -11.057
  429   2HG1  ILE  57          HG13      ILE  57 -16.872   1.589 -11.848
  430   1HG2  ILE  57          HG21      ILE  57 -15.008   3.907  -9.505
  431   2HG2  ILE  57          HG22      ILE  57 -15.861   3.383  -8.061
  432   3HG2  ILE  57          HG23      ILE  57 -14.706   2.291  -8.845
  433   1HD1  ILE  57          HD11      ILE  57 -15.177   2.668 -13.067
  434   2HD1  ILE  57          HD12      ILE  57 -15.939   3.931 -12.105
  435   3HD1  ILE  57          HD13      ILE  57 -14.354   3.261 -11.614
  436    H    ASP  58           H        ASP  58 -17.530   0.165  -6.883
  437    HA   ASP  58           HA       ASP  58 -19.695   1.785  -5.769
  438   1HB   ASP  58          HB2       ASP  58 -19.723  -0.564  -5.301
  439   2HB   ASP  58          HB3       ASP  58 -18.082  -0.518  -4.638
  440    H    ILE  59           H        ILE  59 -18.679   3.880  -5.792
  441    HA   ILE  59           HA       ILE  59 -16.388   4.340  -4.094
  442    HB   ILE  59           HB       ILE  59 -16.599   6.641  -4.595
  443   1HG1  ILE  59          HG12      ILE  59 -19.180   6.263  -6.117
  444   2HG1  ILE  59          HG13      ILE  59 -19.177   6.707  -4.413
  445   1HG2  ILE  59          HG21      ILE  59 -17.249   5.115  -7.128
  446   2HG2  ILE  59          HG22      ILE  59 -16.364   6.646  -6.996
  447   3HG2  ILE  59          HG23      ILE  59 -15.657   5.167  -6.335
  448   1HD1  ILE  59          HD11      ILE  59 -17.742   8.673  -4.911
  449   2HD1  ILE  59          HD12      ILE  59 -17.923   8.343  -6.644
  450   3HD1  ILE  59          HD13      ILE  59 -19.344   8.734  -5.653
  451    H    SER  60           H        SER  60 -19.397   3.418  -2.996
  452    HA   SER  60           HA       SER  60 -20.090   5.576  -1.316
  453   1HB   SER  60          HB2       SER  60 -21.461   3.990  -0.068
  454   2HB   SER  60          HB3       SER  60 -21.648   3.771  -1.812
  455    HG   SER  60           HG       SER  60 -20.433   1.950  -1.753
  456    H    ASN  61           H        ASN  61 -17.575   3.181  -0.984
  457    HA   ASN  61           HA       ASN  61 -17.066   3.409   1.818
  458   1HB   ASN  61          HB2       ASN  61 -16.315   1.505   0.433
  459   2HB   ASN  61          HB3       ASN  61 -15.280   2.581  -0.513
  460   1HD2  ASN  61          HD22      ASN  61 -15.823   1.446   2.890
  461   2HD2  ASN  61          HD21      ASN  61 -14.144   1.552   3.346
  462    H    GLN  62           H        GLN  62 -16.390   5.598  -0.834
  463    HA   GLN  62           HA       GLN  62 -14.031   6.816   0.284
  464   1HB   GLN  62          HB2       GLN  62 -15.976   7.888  -1.801
  465   2HB   GLN  62          HB3       GLN  62 -14.371   8.530  -1.410
  466   1HG   GLN  62          HG2       GLN  62 -13.362   6.362  -2.099
  467   2HG   GLN  62          HG3       GLN  62 -14.951   5.808  -2.626
  468   1HE2  GLN  62          HE22      GLN  62 -14.998   9.074  -3.510
  469   2HE2  GLN  62          HE21      GLN  62 -14.434   8.835  -5.161
  470    H    THR  63           H        THR  63 -14.202   9.273   0.742
  471    HA   THR  63           HA       THR  63 -16.721  10.267   1.714
  472    HB   THR  63           HB       THR  63 -15.476  11.114   3.863
  473    HG1  THR  63           HG1      THR  63 -13.436  10.233   3.412
  474   1HG2  THR  63          HG21      THR  63 -16.256   8.176   3.838
  475   2HG2  THR  63          HG22      THR  63 -16.334   9.324   5.190
  476   3HG2  THR  63          HG23      THR  63 -17.428   9.509   3.806
  477    H    SER  64           H        SER  64 -16.539  12.655   2.086
  478    HA   SER  64           HA       SER  64 -14.557  13.797   0.210
  479   1HB   SER  64          HB2       SER  64 -17.186  14.900   1.253
  480   2HB   SER  64          HB3       SER  64 -16.182  15.585  -0.041
  481    HG   SER  64           HG       SER  64 -18.099  14.131  -0.500
  482    H    ASP  65           H        ASP  65 -13.612  15.799   0.712
  483    HA   ASP  65           HA       ASP  65 -13.611  16.920   3.414
  484   1HB   ASP  65          HB2       ASP  65 -11.814  15.066   3.321
  485   2HB   ASP  65          HB3       ASP  65 -11.015  16.049   2.080
  486    H    ILE  66           H        ILE  66 -12.373  19.038   3.346
  487    HA   ILE  66           HA       ILE  66 -12.507  20.249   0.644
  488    HB   ILE  66           HB       ILE  66 -12.716  22.314   1.665
  489   1HG1  ILE  66          HG12      ILE  66 -11.927  21.053   4.317
  490   2HG1  ILE  66          HG13      ILE  66 -11.016  22.254   3.377
  491   1HG2  ILE  66          HG21      ILE  66 -14.676  20.660   1.819
  492   2HG2  ILE  66          HG22      ILE  66 -14.331  20.541   3.546
  493   3HG2  ILE  66          HG23      ILE  66 -14.787  22.102   2.849
  494   1HD1  ILE  66          HD11      ILE  66 -12.985  23.832   3.680
  495   2HD1  ILE  66          HD12      ILE  66 -13.634  22.655   4.848
  496   3HD1  ILE  66          HD13      ILE  66 -12.072  23.434   5.162
  497    H    ILE  67           H        ILE  67 -10.626  21.769   0.182
  498    HA   ILE  67           HA       ILE  67  -8.422  20.165  -0.099
  499    HB   ILE  67           HB       ILE  67  -9.050  21.937  -1.559
  500   1HG1  ILE  67          HG12      ILE  67  -6.712  20.947  -1.480
  501   2HG1  ILE  67          HG13      ILE  67  -6.976  22.395  -2.422
  502   1HG2  ILE  67          HG21      ILE  67  -8.451  24.288  -1.233
  503   2HG2  ILE  67          HG22      ILE  67  -9.742  23.726  -0.164
  504   3HG2  ILE  67          HG23      ILE  67  -8.093  23.949   0.475
  505   1HD1  ILE  67          HD11      ILE  67  -5.940  23.817  -0.771
  506   2HD1  ILE  67          HD12      ILE  67  -5.719  22.476   0.347
  507   3HD1  ILE  67          HD13      ILE  67  -4.848  22.480  -1.188
  508    H    ASP  68           H        ASP  68  -6.576  19.718   0.770
  509    HA   ASP  68           HA       ASP  68  -5.698  21.139   3.226
  510   1HB   ASP  68          HB2       ASP  68  -6.682  18.891   3.746
  511   2HB   ASP  68          HB3       ASP  68  -5.439  18.150   2.718
  512    H    SER  69           H        SER  69  -3.880  22.234   2.620
  513    HA   SER  69           HA       SER  69  -2.403  21.588   0.308
  514   1HB   SER  69          HB2       SER  69  -0.743  23.277   1.421
  515   2HB   SER  69          HB3       SER  69  -2.298  23.810   0.778
  516    HG   SER  69           HG       SER  69  -1.899  24.621   2.893
  517    H    ASP  70           H        ASP  70  -2.300  20.221   3.514
  518    HA   ASP  70           HA       ASP  70   0.421  19.382   3.541
  519   1HB   ASP  70          HB2       ASP  70  -1.068  19.647   5.536
  520   2HB   ASP  70          HB3       ASP  70  -1.910  18.173   5.036
  521    H    ILE  71           H        ILE  71  -2.031  18.324   1.476
  522    HA   ILE  71           HA       ILE  71  -0.523  15.763   0.958
  523    HB   ILE  71           HB       ILE  71  -3.457  16.455   0.461
  524   1HG1  ILE  71          HG12      ILE  71  -2.148  14.199   2.050
  525   2HG1  ILE  71          HG13      ILE  71  -2.828  15.669   2.764
  526   1HG2  ILE  71          HG21      ILE  71  -2.552  15.267  -1.522
  527   2HG2  ILE  71          HG22      ILE  71  -1.905  13.991  -0.467
  528   3HG2  ILE  71          HG23      ILE  71  -3.657  14.248  -0.630
  529   1HD1  ILE  71          HD11      ILE  71  -5.072  15.043   1.804
  530   2HD1  ILE  71          HD12      ILE  71  -4.371  13.472   1.335
  531   3HD1  ILE  71          HD13      ILE  71  -4.444  13.934   3.040
  532    H    LEU  72           H        LEU  72  -2.302  18.539  -0.470
  533    HA   LEU  72           HA       LEU  72  -1.656  18.370  -3.104
  534   1HB   LEU  72          HB2       LEU  72  -3.001  20.117  -1.889
  535   2HB   LEU  72          HB3       LEU  72  -1.488  20.773  -1.283
  536    HG   LEU  72           HG       LEU  72  -1.072  20.826  -4.034
  537   1HD1  LEU  72          HD11      LEU  72  -3.962  21.584  -3.424
  538   2HD1  LEU  72          HD12      LEU  72  -3.076  22.014  -4.903
  539   3HD1  LEU  72          HD13      LEU  72  -3.397  20.314  -4.522
  540   1HD2  LEU  72          HD21      LEU  72  -1.385  23.289  -3.728
  541   2HD2  LEU  72          HD22      LEU  72  -2.087  22.970  -2.125
  542   3HD2  LEU  72          HD23      LEU  72  -0.395  22.555  -2.461
  543    H    ASN  73           H        ASN  73   0.461  19.892  -0.600
  544    HA   ASN  73           HA       ASN  73   2.454  20.650  -2.440
  545   1HB   ASN  73          HB2       ASN  73   3.635  21.508  -0.660
  546   2HB   ASN  73          HB3       ASN  73   1.996  21.531  -0.028
  547   1HD2  ASN  73          HD22      ASN  73   1.404  19.800   1.527
  548   2HD2  ASN  73          HD21      ASN  73   2.675  19.139   2.545
  549    H    ASN  74           H        ASN  74   1.836  17.467  -1.560
  550    HA   ASN  74           HA       ASN  74   4.606  16.626  -2.225
  551   1HB   ASN  74          HB2       ASN  74   4.470  14.850  -0.511
  552   2HB   ASN  74          HB3       ASN  74   4.475  16.464   0.182
  553   1HD2  ASN  74          HD22      ASN  74   2.689  17.210   1.308
  554   2HD2  ASN  74          HD21      ASN  74   1.384  16.168   1.806
  555    H    ALA  75           H        ALA  75   1.512  16.583  -3.329
  556    HA   ALA  75           HA       ALA  75   1.289  13.828  -4.053
  557   1HB   ALA  75          HB1       ALA  75   0.061  16.289  -5.338
  558   2HB   ALA  75          HB2       ALA  75  -0.441  14.602  -5.598
  559   3HB   ALA  75          HB3       ALA  75  -0.653  15.351  -4.005
  560    H    ASP  76           H        ASP  76   1.673  12.986  -6.365
  561    HA   ASP  76           HA       ASP  76   4.103  14.106  -7.609
  562   1HB   ASP  76          HB2       ASP  76   3.568  11.655  -7.816
  563   2HB   ASP  76          HB3       ASP  76   2.085  12.074  -8.685
  564    H    LEU  77           H        LEU  77   0.606  14.217  -7.872
  565    HA   LEU  77           HA       LEU  77   0.650  16.304  -9.957
  566   1HB   LEU  77          HB2       LEU  77   0.523  14.242 -11.158
  567   2HB   LEU  77          HB3       LEU  77  -0.608  13.552  -9.993
  568    HG   LEU  77           HG       LEU  77  -2.371  15.104 -10.734
  569   1HD1  LEU  77          HD11      LEU  77  -2.195  16.396 -12.776
  570   2HD1  LEU  77          HD12      LEU  77  -0.893  16.939 -11.725
  571   3HD1  LEU  77          HD13      LEU  77  -0.549  15.834 -13.069
  572   1HD2  LEU  77          HD21      LEU  77  -2.015  12.791 -11.672
  573   2HD2  LEU  77          HD22      LEU  77  -2.806  13.891 -12.820
  574   3HD2  LEU  77          HD23      LEU  77  -1.072  13.531 -12.966
  575    H    VAL  78           H        VAL  78  -1.017  17.636  -9.852
  576    HA   VAL  78           HA       VAL  78  -3.242  17.173  -7.931
  577    HB   VAL  78           HB       VAL  78  -1.573  19.663  -8.479
  578   1HG1  VAL  78          HG11      VAL  78  -3.040  20.855  -6.928
  579   2HG1  VAL  78          HG12      VAL  78  -3.945  20.338  -8.349
  580   3HG1  VAL  78          HG13      VAL  78  -4.129  19.447  -6.819
  581   1HG2  VAL  78          HG21      VAL  78  -1.093  19.615  -6.080
  582   2HG2  VAL  78          HG22      VAL  78  -2.170  18.211  -5.853
  583   3HG2  VAL  78          HG23      VAL  78  -0.669  18.059  -6.773
  584    H    VAL  79           H        VAL  79  -5.243  17.475  -8.917
  585    HA   VAL  79           HA       VAL  79  -5.187  18.318 -11.792
  586    HB   VAL  79           HB       VAL  79  -6.921  16.154 -10.556
  587   1HG1  VAL  79          HG11      VAL  79  -7.897  17.267 -12.536
  588   2HG1  VAL  79          HG12      VAL  79  -6.399  16.976 -13.449
  589   3HG1  VAL  79          HG13      VAL  79  -7.419  15.611 -12.928
  590   1HG2  VAL  79          HG21      VAL  79  -5.552  14.544 -11.874
  591   2HG2  VAL  79          HG22      VAL  79  -4.402  15.850 -12.226
  592   3HG2  VAL  79          HG23      VAL  79  -4.659  15.291 -10.551
  593    H    THR  80           H        THR  80  -6.345  20.075 -12.118
  594    HA   THR  80           HA       THR  80  -8.387  20.899 -10.132
  595    HB   THR  80           HB       THR  80  -8.158  23.124 -11.262
  596    HG1  THR  80           HG1      THR  80  -5.970  21.818 -12.549
  597   1HG2  THR  80          HG21      THR  80  -6.015  23.634 -10.130
  598   2HG2  THR  80          HG22      THR  80  -7.055  22.586  -9.141
  599   3HG2  THR  80          HG23      THR  80  -5.662  21.899 -10.002
  600    H    LEU  81           H        LEU  81 -10.139  19.731 -10.622
  601    HA   LEU  81           HA       LEU  81 -10.746  18.874 -13.296
  602   1HB   LEU  81          HB2       LEU  81 -12.331  18.813 -10.715
  603   2HB   LEU  81          HB3       LEU  81 -12.900  18.065 -12.203
  604    HG   LEU  81           HG       LEU  81 -10.302  17.313 -10.787
  605   1HD1  LEU  81          HD11      LEU  81 -12.291  16.786  -9.434
  606   2HD1  LEU  81          HD12      LEU  81 -13.005  15.916 -10.814
  607   3HD1  LEU  81          HD13      LEU  81 -11.519  15.317 -10.053
  608   1HD2  LEU  81          HD21      LEU  81 -10.191  16.729 -13.165
  609   2HD2  LEU  81          HD22      LEU  81 -10.459  15.259 -12.233
  610   3HD2  LEU  81          HD23      LEU  81 -11.806  16.011 -13.104
  611    H    CYS  82           H        CYS  82 -11.366  21.960 -11.879
  612    HA   CYS  82           HA       CYS  82 -12.942  22.548 -14.217
  613   1HB   CYS  82          HB2       CYS  82 -14.791  23.625 -13.115
  614   2HB   CYS  82          HB3       CYS  82 -14.685  21.963 -12.503
  615    HG   CYS  82           HG       CYS  82 -15.356  23.670 -10.552
  616    H    GLY  83           H        GLY  83 -12.896  24.893 -14.653
  617   1HA   GLY  83          HA1       GLY  83 -10.236  25.776 -14.315
  618   2HA   GLY  83          HA2       GLY  83 -11.562  26.696 -15.047
  619    H    ASP  84           H        ASP  84 -13.305  26.926 -12.799
  620    HA   ASP  84           HA       ASP  84 -12.172  29.218 -11.561
  621   1HB   ASP  84          HB2       ASP  84 -14.598  28.865 -11.864
  622   2HB   ASP  84          HB3       ASP  84 -14.563  27.559 -10.675
  623    H    ALA  85           H        ALA  85 -12.380  25.822 -10.475
  624    HA   ALA  85           HA       ALA  85 -11.703  26.279  -7.762
  625   1HB   ALA  85          HB1       ALA  85 -11.186  23.832  -9.523
  626   2HB   ALA  85          HB2       ALA  85 -11.094  23.877  -7.755
  627   3HB   ALA  85          HB3       ALA  85 -12.636  24.151  -8.537
  628    H    ALA  86           H        ALA  86  -9.691  26.150 -10.654
  629    HA   ALA  86           HA       ALA  86  -7.236  25.462  -9.431
  630   1HB   ALA  86          HB1       ALA  86  -7.734  25.422 -11.879
  631   2HB   ALA  86          HB2       ALA  86  -7.694  27.207 -11.873
  632   3HB   ALA  86          HB3       ALA  86  -6.229  26.287 -11.480
  633    H    ASP  87           H        ASP  87  -9.026  28.488  -9.371
  634    HA   ASP  87           HA       ASP  87  -6.863  30.251  -8.756
  635   1HB   ASP  87          HB2       ASP  87  -9.095  31.019  -9.486
  636   2HB   ASP  87          HB3       ASP  87  -9.800  30.392  -7.988
  637    H    LYS  88           H        LYS  88  -8.772  28.006  -6.817
  638    HA   LYS  88           HA       LYS  88  -7.559  29.025  -4.266
  639   1HB   LYS  88          HB2       LYS  88  -9.995  28.909  -4.239
  640   2HB   LYS  88          HB3       LYS  88  -9.969  27.270  -4.889
  641   1HG   LYS  88          HG2       LYS  88 -10.560  27.272  -2.552
  642   2HG   LYS  88          HG3       LYS  88  -9.054  26.404  -2.807
  643   1HD   LYS  88          HD2       LYS  88  -7.807  28.438  -1.979
  644   2HD   LYS  88          HD3       LYS  88  -9.372  29.250  -1.732
  645   1HE   LYS  88          HE2       LYS  88 -10.087  27.417  -0.241
  646   2HE   LYS  88          HE3       LYS  88  -8.558  26.574  -0.506
  647   1HZ   LYS  88          HZ1       LYS  88  -8.840  29.222   0.816
  648   2HZ   LYS  88          HZ2       LYS  88  -8.536  27.818   1.580
  649   3HZ   LYS  88          HZ3       LYS  88  -7.421  28.446   0.572
  650    H    CYS  89           H        CYS  89  -7.457  26.326  -6.500
  651    HA   CYS  89           HA       CYS  89  -6.149  24.417  -4.890
  652   1HB   CYS  89          HB2       CYS  89  -6.951  24.114  -7.234
  653   2HB   CYS  89          HB3       CYS  89  -5.583  25.100  -7.791
  654    HG   CYS  89           HG       CYS  89  -5.053  22.568  -8.182
  655    HA   PRO  90           HA       PRO  90  -3.054  27.505  -3.776
  656   1HB   PRO  90          HB2       PRO  90  -1.734  25.476  -2.102
  657   2HB   PRO  90          HB3       PRO  90  -2.461  27.069  -1.681
  658   1HG   PRO  90          HG2       PRO  90  -3.674  24.702  -1.023
  659   2HG   PRO  90          HG3       PRO  90  -4.589  26.178  -1.446
  660   1HD   PRO  90          HD2       PRO  90  -3.943  23.823  -3.217
  661   2HD   PRO  90          HD3       PRO  90  -5.471  24.711  -3.012
  662    H    MET  91           H        MET  91  -0.477  27.604  -3.565
  663    HA   MET  91           HA       MET  91   0.596  26.994  -6.101
  664   1HB   MET  91          HB2       MET  91   1.975  27.693  -3.471
  665   2HB   MET  91          HB3       MET  91   2.785  27.617  -5.041
  666   1HG   MET  91          HG2       MET  91   1.267  29.361  -5.924
  667   2HG   MET  91          HG3       MET  91   0.479  29.477  -4.346
  668   1HE   MET  91          HE1       MET  91   2.402  32.876  -4.620
  669   2HE   MET  91          HE2       MET  91   1.625  31.973  -5.940
  670   3HE   MET  91          HE3       MET  91   0.831  32.088  -4.352
  671    H    THR  92           H        THR  92   1.938  25.430  -6.829
  672    HA   THR  92           HA       THR  92   2.522  23.055  -5.136
  673    HB   THR  92           HB       THR  92   1.990  21.752  -7.299
  674    HG1  THR  92           HG1      THR  92   1.760  23.570  -8.670
  675   1HG2  THR  92          HG21      THR  92   0.599  21.688  -5.283
  676   2HG2  THR  92          HG22      THR  92  -0.274  23.131  -5.826
  677   3HG2  THR  92          HG23      THR  92  -0.373  21.634  -6.769
  678    HA   PRO  93           HA       PRO  93   6.518  24.284  -6.921
  679   1HB   PRO  93          HB2       PRO  93   8.155  22.478  -5.649
  680   2HB   PRO  93          HB3       PRO  93   7.432  23.892  -4.829
  681   1HG   PRO  93          HG2       PRO  93   6.446  21.032  -4.842
  682   2HG   PRO  93          HG3       PRO  93   6.650  22.123  -3.437
  683   1HD   PRO  93          HD2       PRO  93   4.236  21.757  -4.666
  684   2HD   PRO  93          HD3       PRO  93   4.707  23.339  -3.976
  685    HA   PRO  94           HA       PRO  94   7.209  21.674 -10.420
  686   1HB   PRO  94          HB2       PRO  94  10.051  21.198  -9.493
  687   2HB   PRO  94          HB3       PRO  94   9.462  21.610 -11.136
  688   1HG   PRO  94          HG2       PRO  94  10.506  23.545  -9.564
  689   2HG   PRO  94          HG3       PRO  94   8.993  23.868 -10.474
  690   1HD   PRO  94          HD2       PRO  94   9.320  23.150  -7.558
  691   2HD   PRO  94          HD3       PRO  94   8.240  24.361  -8.314
  692    H    HIS  95           H        HIS  95   8.236  20.189  -7.355
  693    HA   HIS  95           HA       HIS  95   8.356  17.479  -8.256
  694   1HB   HIS  95          HB2       HIS  95   7.608  18.535  -5.500
  695   2HB   HIS  95          HB3       HIS  95   8.233  16.934  -5.885
  696    HD1  HIS  95           HD1      HIS  95   9.511  19.943  -4.403
  697    HD2  HIS  95           HD2      HIS  95  10.830  17.297  -7.404
  698    HE1  HIS  95           HE1      HIS  95  12.020  20.300  -4.617
  699    H    VAL  96           H        VAL  96   5.689  19.562  -8.131
  700    HA   VAL  96           HA       VAL  96   3.645  17.421  -7.867
  701    HB   VAL  96           HB       VAL  96   3.535  20.284  -6.804
  702   1HG1  VAL  96          HG11      VAL  96   1.512  19.583  -5.711
  703   2HG1  VAL  96          HG12      VAL  96   1.373  19.211  -7.427
  704   3HG1  VAL  96          HG13      VAL  96   1.720  17.911  -6.266
  705   1HG2  VAL  96          HG21      VAL  96   5.166  19.213  -5.409
  706   2HG2  VAL  96          HG22      VAL  96   3.647  19.400  -4.531
  707   3HG2  VAL  96          HG23      VAL  96   4.118  17.813  -5.160
  708    H    LYS  97           H        LYS  97   3.392  17.277 -10.157
  709    HA   LYS  97           HA       LYS  97   3.321  19.714 -11.752
  710   1HB   LYS  97          HB2       LYS  97   3.139  18.348 -13.630
  711   2HB   LYS  97          HB3       LYS  97   4.174  17.462 -12.524
  712   1HG   LYS  97          HG2       LYS  97   1.803  16.330 -11.856
  713   2HG   LYS  97          HG3       LYS  97   1.408  16.861 -13.505
  714   1HD   LYS  97          HD2       LYS  97   3.522  15.657 -14.273
  715   2HD   LYS  97          HD3       LYS  97   3.694  15.072 -12.606
  716   1HE   LYS  97          HE2       LYS  97   1.203  14.229 -12.962
  717   2HE   LYS  97          HE3       LYS  97   1.575  14.370 -14.682
  718   1HZ   LYS  97          HZ1       LYS  97   3.531  12.884 -14.180
  719   2HZ   LYS  97          HZ2       LYS  97   2.984  12.720 -12.629
  720   3HZ   LYS  97          HZ3       LYS  97   2.100  12.155 -13.891
  721    H    ARG  98           H        ARG  98   1.371  20.117 -13.153
  722    HA   ARG  98           HA       ARG  98  -1.151  19.893 -11.572
  723   1HB   ARG  98          HB2       ARG  98   0.156  22.329 -12.846
  724   2HB   ARG  98          HB3       ARG  98  -1.577  22.283 -12.547
  725   1HG   ARG  98          HG2       ARG  98   0.376  21.687 -10.308
  726   2HG   ARG  98          HG3       ARG  98   0.001  23.351 -10.751
  727   1HD   ARG  98          HD2       ARG  98  -2.281  21.429 -10.242
  728   2HD   ARG  98          HD3       ARG  98  -1.384  22.068  -8.880
  729    HE   ARG  98           HE       ARG  98  -3.084  23.590 -10.776
  730   1HH1  ARG  98          HH11      ARG  98  -0.798  23.820  -8.071
  731   2HH1  ARG  98          HH12      ARG  98  -1.710  25.002  -7.198
  732   1HH2  ARG  98          HH21      ARG  98  -3.995  25.568  -9.861
  733   2HH2  ARG  98          HH22      ARG  98  -3.460  26.111  -8.307
  734    H    GLU  99           H        GLU  99  -3.036  19.755 -12.789
  735    HA   GLU  99           HA       GLU  99  -2.896  20.098 -15.672
  736   1HB   GLU  99          HB2       GLU  99  -2.384  17.673 -15.268
  737   2HB   GLU  99          HB3       GLU  99  -3.930  17.502 -14.439
  738   1HG   GLU  99          HG2       GLU  99  -3.891  16.682 -16.794
  739   2HG   GLU  99          HG3       GLU  99  -5.146  17.879 -16.474
  740    H    HIS 100           H        HIS 100  -5.184  20.207 -16.538
  741    HA   HIS 100           HA       HIS 100  -7.110  21.186 -14.539
  742   1HB   HIS 100          HB2       HIS 100  -7.231  23.365 -15.553
  743   2HB   HIS 100          HB3       HIS 100  -5.601  23.070 -14.978
  744    HD1  HIS 100           HD1      HIS 100  -4.724  21.448 -17.864
  745    HD2  HIS 100           HD2      HIS 100  -6.484  25.242 -17.246
  746    HE1  HIS 100           HE1      HIS 100  -4.144  22.849 -19.888
  747    H    TRP 101           H        TRP 101  -9.205  21.232 -15.219
  748    HA   TRP 101           HA       TRP 101  -9.937  20.718 -18.026
  749   1HB   TRP 101          HB2       TRP 101 -11.061  19.078 -15.747
  750   2HB   TRP 101          HB3       TRP 101 -11.291  18.867 -17.483
  751    HD1  TRP 101           HD1      TRP 101  -9.014  17.965 -14.642
  752    HE1  TRP 101           HE1      TRP 101  -7.155  16.386 -15.384
  753    HE3  TRP 101           HE3      TRP 101  -9.647  18.316 -19.711
  754    HZ2  TRP 101           HZ2      TRP 101  -6.053  15.399 -17.867
  755    HZ3  TRP 101           HZ3      TRP 101  -8.136  17.086 -21.243
  756    HH2  TRP 101           HH2      TRP 101  -6.357  15.592 -20.324
  757    H    GLY 102           H        GLY 102 -12.711  20.543 -17.620
  758   1HA   GLY 102          HA1       GLY 102 -13.412  23.106 -16.251
  759   2HA   GLY 102          HA2       GLY 102 -13.680  22.879 -17.974
  760    H    PHE 103           H        PHE 103 -14.207  20.508 -15.270
  761    HA   PHE 103           HA       PHE 103 -16.757  19.823 -16.464
  762   1HB   PHE 103          HB2       PHE 103 -15.297  18.797 -14.008
  763   2HB   PHE 103          HB3       PHE 103 -16.884  18.213 -14.526
  764    HD1  PHE 103           HD1      PHE 103 -13.292  18.058 -15.199
  765    HD2  PHE 103           HD2      PHE 103 -17.199  17.297 -16.860
  766    HE1  PHE 103           HE1      PHE 103 -12.246  16.901 -17.106
  767    HE2  PHE 103           HE2      PHE 103 -16.159  16.123 -18.767
  768    HZ   PHE 103           HZ       PHE 103 -13.689  15.956 -18.933
  769    H    ASP 104           H        ASP 104 -18.520  20.900 -16.209
  770    HA   ASP 104           HA       ASP 104 -19.133  22.718 -14.053
  771   1HB   ASP 104          HB2       ASP 104 -20.054  22.849 -16.387
  772   2HB   ASP 104          HB3       ASP 104 -20.911  21.327 -16.091
  773    H    ASP 105           H        ASP 105 -20.849  22.362 -12.463
  774    HA   ASP 105           HA       ASP 105 -20.573  19.824 -11.124
  775   1HB   ASP 105          HB2       ASP 105 -20.877  21.790  -9.797
  776   2HB   ASP 105          HB3       ASP 105 -22.379  22.187 -10.629
  777    HA   PRO 106           HA       PRO 106 -23.884  18.006 -13.508
  778   1HB   PRO 106          HB2       PRO 106 -23.869  15.460 -12.504
  779   2HB   PRO 106          HB3       PRO 106 -22.511  16.101 -13.477
  780   1HG   PRO 106          HG2       PRO 106 -22.762  16.017 -10.445
  781   2HG   PRO 106          HG3       PRO 106 -21.402  15.409 -11.455
  782   1HD   PRO 106          HD2       PRO 106 -21.349  17.870 -10.309
  783   2HD   PRO 106          HD3       PRO 106 -20.693  17.609 -11.955
  784    H    ALA 107           H        ALA 107 -24.056  18.061  -9.960
  785    HA   ALA 107           HA       ALA 107 -26.491  16.625  -9.699
  786   1HB   ALA 107          HB1       ALA 107 -25.221  18.638  -7.799
  787   2HB   ALA 107          HB2       ALA 107 -26.469  17.443  -7.388
  788   3HB   ALA 107          HB3       ALA 107 -24.852  16.898  -7.884
  789    H    ARG 108           H        ARG 108 -25.861  19.983 -10.420
  790    HA   ARG 108           HA       ARG 108 -28.797  20.480 -10.510
  791   1HB   ARG 108          HB2       ARG 108 -28.213  22.937 -10.243
  792   2HB   ARG 108          HB3       ARG 108 -28.167  21.886  -8.846
  793   1HG   ARG 108          HG2       ARG 108 -26.318  23.568  -8.965
  794   2HG   ARG 108          HG3       ARG 108 -25.823  21.896  -8.736
  795   1HD   ARG 108          HD2       ARG 108 -24.334  22.875 -10.306
  796   2HD   ARG 108          HD3       ARG 108 -25.358  21.709 -11.161
  797    HE   ARG 108           HE       ARG 108 -26.291  24.486 -11.242
  798   1HH1  ARG 108          HH21      ARG 108 -24.269  22.030 -12.875
  799   2HH1  ARG 108          HH22      ARG 108 -24.073  22.963 -14.310
  800   1HH2  ARG 108          HH11      ARG 108 -26.189  25.616 -13.271
  801   2HH2  ARG 108          HH12      ARG 108 -25.321  24.938 -14.597
  802    H    ALA 109           H        ALA 109 -27.044  19.282 -12.642
  803    HA   ALA 109           HA       ALA 109 -26.730  21.032 -14.796
  804   1HB   ALA 109          HB1       ALA 109 -27.077  19.002 -16.198
  805   2HB   ALA 109          HB2       ALA 109 -25.986  18.712 -14.826
  806   3HB   ALA 109          HB3       ALA 109 -27.664  18.131 -14.764
  807    H    GLN 110           H        GLN 110 -29.703  19.490 -13.647
  808    HA   GLN 110           HA       GLN 110 -31.906  19.856 -13.977
  809   1HB   GLN 110          HB2       GLN 110 -30.848  22.645 -14.503
  810   2HB   GLN 110          HB3       GLN 110 -32.565  22.294 -14.379
  811   1HG   GLN 110          HG2       GLN 110 -32.424  21.586 -12.122
  812   2HG   GLN 110          HG3       GLN 110 -30.666  21.519 -12.149
  813   1HE2  GLN 110          HE22      GLN 110 -29.451  23.541 -12.374
  814   2HE2  GLN 110          HE21      GLN 110 -30.156  25.050 -11.804
  815    H    GLY 111           H        GLY 111 -33.445  21.312 -15.726
  816   1HA   GLY 111          HA1       GLY 111 -33.880  21.602 -18.086
  817   2HA   GLY 111          HA2       GLY 111 -32.888  20.171 -18.429
  818    H    THR 112           H        THR 112 -33.580  18.219 -16.947
  819    HA   THR 112           HA       THR 112 -36.159  17.961 -15.893
  820    HB   THR 112           HB       THR 112 -37.039  17.850 -18.116
  821    HG1  THR 112           HG1      THR 112 -38.004  15.927 -18.007
  822   1HG2  THR 112          HG21      THR 112 -35.108  17.401 -19.495
  823   2HG2  THR 112          HG22      THR 112 -34.904  15.793 -18.767
  824   3HG2  THR 112          HG23      THR 112 -36.315  16.147 -19.785
  825    H    GLU 113           H        GLU 113 -36.325  15.502 -15.191
  826    HA   GLU 113           HA       GLU 113 -33.930  14.973 -13.745
  827   1HB   GLU 113          HB2       GLU 113 -36.108  14.270 -12.933
  828   2HB   GLU 113          HB3       GLU 113 -36.346  13.212 -14.334
  829   1HG   GLU 113          HG2       GLU 113 -34.498  11.782 -13.650
  830   2HG   GLU 113          HG3       GLU 113 -34.061  12.888 -12.340
  831    H    GLU 114           H        GLU 114 -35.213  13.599 -16.767
  832    HA   GLU 114           HA       GLU 114 -33.115  11.663 -16.993
  833   1HB   GLU 114          HB2       GLU 114 -33.922  11.239 -19.240
  834   2HB   GLU 114          HB3       GLU 114 -35.248  11.296 -18.081
  835   1HG   GLU 114          HG2       GLU 114 -35.821  13.585 -18.830
  836   2HG   GLU 114          HG3       GLU 114 -34.479  13.554 -19.983
  837    H    GLU 115           H        GLU 115 -33.320  15.063 -17.908
  838    HA   GLU 115           HA       GLU 115 -31.027  14.976 -19.662
  839   1HB   GLU 115          HB2       GLU 115 -32.844  16.688 -19.835
  840   2HB   GLU 115          HB3       GLU 115 -32.340  17.342 -18.276
  841   1HG   GLU 115          HG2       GLU 115 -31.415  18.741 -19.952
  842   2HG   GLU 115          HG3       GLU 115 -30.072  17.827 -19.285
  843    H    LYS 116           H        LYS 116 -31.716  15.857 -16.251
  844    HA   LYS 116           HA       LYS 116 -29.091  16.546 -15.479
  845   1HB   LYS 116          HB2       LYS 116 -31.004  17.111 -14.131
  846   2HB   LYS 116          HB3       LYS 116 -31.502  15.421 -14.003
  847   1HG   LYS 116          HG2       LYS 116 -29.561  14.865 -12.686
  848   2HG   LYS 116          HG3       LYS 116 -28.923  16.520 -12.818
  849   1HD   LYS 116          HD2       LYS 116 -31.573  15.741 -11.524
  850   2HD   LYS 116          HD3       LYS 116 -30.037  15.922 -10.652
  851   1HE   LYS 116          HE2       LYS 116 -29.985  18.322 -11.639
  852   2HE   LYS 116          HE3       LYS 116 -31.708  18.065 -12.003
  853   1HZ   LYS 116          HZ1       LYS 116 -31.524  19.089  -9.864
  854   2HZ   LYS 116          HZ2       LYS 116 -31.931  17.541  -9.559
  855   3HZ   LYS 116          HZ3       LYS 116 -30.372  18.046  -9.364
  856    H    TRP 117           H        TRP 117 -30.774  13.377 -15.387
  857    HA   TRP 117           HA       TRP 117 -28.531  11.917 -14.427
  858   1HB   TRP 117          HB2       TRP 117 -30.814  11.003 -14.437
  859   2HB   TRP 117          HB3       TRP 117 -30.822  10.980 -16.200
  860    HD1  TRP 117           HD1      TRP 117 -29.422   9.081 -17.413
  861    HE1  TRP 117           HE1      TRP 117 -28.383   6.869 -16.635
  862    HE3  TRP 117           HE3      TRP 117 -29.469   9.898 -12.364
  863    HZ2  TRP 117           HZ2      TRP 117 -27.447   5.726 -14.184
  864    HZ3  TRP 117           HZ3      TRP 117 -28.341   8.308 -10.839
  865    HH2  TRP 117           HH2      TRP 117 -27.326   6.212 -11.730
  866    H    ALA 118           H        ALA 118 -29.591  12.624 -17.824
  867    HA   ALA 118           HA       ALA 118 -27.554  11.164 -19.100
  868   1HB   ALA 118          HB1       ALA 118 -28.909  13.756 -19.975
  869   2HB   ALA 118          HB2       ALA 118 -27.975  12.678 -21.025
  870   3HB   ALA 118          HB3       ALA 118 -29.487  12.108 -20.289
  871    H    PHE 119           H        PHE 119 -27.495  14.494 -17.755
  872    HA   PHE 119           HA       PHE 119 -24.863  15.109 -18.598
  873   1HB   PHE 119          HB2       PHE 119 -26.743  16.621 -17.625
  874   2HB   PHE 119          HB3       PHE 119 -26.102  16.173 -16.052
  875    HD1  PHE 119           HD1      PHE 119 -23.777  16.876 -15.413
  876    HD2  PHE 119           HD2      PHE 119 -25.581  18.105 -19.127
  877    HE1  PHE 119           HE1      PHE 119 -22.150  18.756 -15.578
  878    HE2  PHE 119           HE2      PHE 119 -23.916  19.935 -19.329
  879    HZ   PHE 119           HZ       PHE 119 -22.210  20.266 -17.562
  880    H    PHE 120           H        PHE 120 -26.059  13.429 -15.597
  881    HA   PHE 120           HA       PHE 120 -23.547  13.131 -14.315
  882   1HB   PHE 120          HB2       PHE 120 -25.653  10.947 -14.433
  883   2HB   PHE 120          HB3       PHE 120 -24.364  11.129 -13.285
  884    HD1  PHE 120           HD1      PHE 120 -26.745  10.442 -12.204
  885    HD2  PHE 120           HD2      PHE 120 -25.571  14.425 -13.372
  886    HE1  PHE 120           HE1      PHE 120 -28.357  11.398 -10.583
  887    HE2  PHE 120           HE2      PHE 120 -27.108  15.361 -11.694
  888    HZ   PHE 120           HZ       PHE 120 -28.526  13.864 -10.306
  889    H    GLN 121           H        GLN 121 -25.173  11.098 -16.832
  890    HA   GLN 121           HA       GLN 121 -23.111   9.176 -17.024
  891   1HB   GLN 121          HB2       GLN 121 -25.043   9.988 -19.216
  892   2HB   GLN 121          HB3       GLN 121 -24.069   8.525 -19.166
  893   1HG   GLN 121          HG2       GLN 121 -26.363   9.240 -17.302
  894   2HG   GLN 121          HG3       GLN 121 -26.337   7.992 -18.527
  895   1HE2  GLN 121          HE22      GLN 121 -25.681   8.681 -15.196
  896   2HE2  GLN 121          HE21      GLN 121 -24.960   7.144 -14.797
  897    H    ARG 122           H        ARG 122 -23.548  12.205 -18.880
  898    HA   ARG 122           HA       ARG 122 -21.263  11.834 -20.557
  899   1HB   ARG 122          HB2       ARG 122 -22.886  14.258 -19.728
  900   2HB   ARG 122          HB3       ARG 122 -21.315  14.502 -20.475
  901   1HG   ARG 122          HG2       ARG 122 -22.895  14.612 -22.223
  902   2HG   ARG 122          HG3       ARG 122 -21.990  13.105 -22.416
  903   1HD   ARG 122          HD2       ARG 122 -23.903  11.891 -21.317
  904   2HD   ARG 122          HD3       ARG 122 -24.792  13.434 -21.275
  905    HE   ARG 122           HE       ARG 122 -24.078  13.138 -23.916
  906   1HH1  ARG 122          HH11      ARG 122 -25.874  11.163 -21.592
  907   2HH1  ARG 122          HH12      ARG 122 -26.894  10.420 -22.775
  908   1HH2  ARG 122          HH21      ARG 122 -25.439  12.164 -25.510
  909   2HH2  ARG 122          HH22      ARG 122 -26.641  11.019 -25.056
  910    H    VAL 123           H        VAL 123 -21.563  13.574 -17.402
  911    HA   VAL 123           HA       VAL 123 -18.808  14.313 -17.418
  912    HB   VAL 123           HB       VAL 123 -20.855  14.135 -15.164
  913   1HG1  VAL 123          HG11      VAL 123 -18.062  15.370 -15.074
  914   2HG1  VAL 123          HG12      VAL 123 -19.327  15.594 -13.846
  915   3HG1  VAL 123          HG13      VAL 123 -18.636  13.991 -14.110
  916   1HG2  VAL 123          HG21      VAL 123 -19.674  16.516 -16.695
  917   2HG2  VAL 123          HG22      VAL 123 -21.302  15.861 -16.920
  918   3HG2  VAL 123          HG23      VAL 123 -20.861  16.615 -15.386
  919    H    ARG 124           H        ARG 124 -20.396  11.368 -15.861
  920    HA   ARG 124           HA       ARG 124 -17.890  10.515 -14.834
  921   1HB   ARG 124          HB2       ARG 124 -18.776   8.276 -14.608
  922   2HB   ARG 124          HB3       ARG 124 -19.987   9.437 -14.071
  923   1HG   ARG 124          HG2       ARG 124 -21.260   9.120 -16.095
  924   2HG   ARG 124          HG3       ARG 124 -20.009   8.107 -16.810
  925   1HD   ARG 124          HD2       ARG 124 -20.358   6.469 -14.916
  926   2HD   ARG 124          HD3       ARG 124 -21.761   7.423 -14.447
  927    HE   ARG 124           HE       ARG 124 -22.964   6.514 -16.165
  928   1HH1  ARG 124          HH11      ARG 124 -19.551   5.859 -16.980
  929   2HH1  ARG 124          HH12      ARG 124 -19.958   4.945 -18.386
  930   1HH2  ARG 124          HH21      ARG 124 -23.454   5.381 -17.971
  931   2HH2  ARG 124          HH22      ARG 124 -22.234   4.614 -18.948
  932    H    ASP 125           H        ASP 125 -19.362   9.965 -18.035
  933    HA   ASP 125           HA       ASP 125 -17.454   8.094 -18.941
  934   1HB   ASP 125          HB2       ASP 125 -19.544   8.462 -20.132
  935   2HB   ASP 125          HB3       ASP 125 -19.083  10.124 -20.514
  936    H    GLU 126           H        GLU 126 -17.482  11.708 -19.199
  937    HA   GLU 126           HA       GLU 126 -14.978  11.705 -20.544
  938   1HB   GLU 126          HB2       GLU 126 -16.778  13.816 -19.436
  939   2HB   GLU 126          HB3       GLU 126 -15.097  14.248 -19.772
  940   1HG   GLU 126          HG2       GLU 126 -16.771  12.821 -21.844
  941   2HG   GLU 126          HG3       GLU 126 -16.819  14.572 -21.646
  942    H    ILE 127           H        ILE 127 -15.816  11.884 -17.085
  943    HA   ILE 127           HA       ILE 127 -13.146  12.647 -16.311
  944    HB   ILE 127           HB       ILE 127 -15.596  12.340 -14.974
  945   1HG1  ILE 127          HG12      ILE 127 -14.298  13.050 -12.931
  946   2HG1  ILE 127          HG13      ILE 127 -12.828  12.941 -13.909
  947   1HG2  ILE 127          HG21      ILE 127 -15.262  10.047 -14.546
  948   2HG2  ILE 127          HG22      ILE 127 -13.702  10.374 -13.733
  949   3HG2  ILE 127          HG23      ILE 127 -15.228  10.977 -13.046
  950   1HD1  ILE 127          HD11      ILE 127 -13.758  14.640 -15.469
  951   2HD1  ILE 127          HD12      ILE 127 -15.301  14.626 -14.589
  952   3HD1  ILE 127          HD13      ILE 127 -13.843  15.259 -13.804
  953    H    GLY 128           H        GLY 128 -14.770   9.492 -16.819
  954   1HA   GLY 128          HA1       GLY 128 -12.557   7.841 -16.124
  955   2HA   GLY 128          HA2       GLY 128 -13.905   7.416 -17.205
  956    H    ASN 129           H        ASN 129 -13.655   9.160 -19.279
  957    HA   ASN 129           HA       ASN 129 -11.578   8.193 -20.922
  958   1HB   ASN 129          HB2       ASN 129 -13.783   9.227 -21.587
  959   2HB   ASN 129          HB3       ASN 129 -13.101  10.798 -21.151
  960   1HD2  ASN 129          HD22      ASN 129 -13.384  11.600 -23.234
  961   2HD2  ASN 129          HD21      ASN 129 -12.428  11.032 -24.606
  962    H    ARG 130           H        ARG 130 -11.707  11.124 -18.879
  963    HA   ARG 130           HA       ARG 130  -9.222  12.260 -19.664
  964   1HB   ARG 130          HB2       ARG 130 -11.148  12.644 -17.456
  965   2HB   ARG 130          HB3       ARG 130  -9.514  12.650 -16.845
  966   1HG   ARG 130          HG2       ARG 130  -9.824  14.847 -17.263
  967   2HG   ARG 130          HG3       ARG 130  -8.980  14.344 -18.719
  968   1HD   ARG 130          HD2       ARG 130 -11.951  14.821 -18.324
  969   2HD   ARG 130          HD3       ARG 130 -10.867  15.876 -19.231
  970    HE   ARG 130           HE       ARG 130 -12.330  13.618 -20.152
  971   1HH1  ARG 130          HH11      ARG 130  -9.052  14.943 -20.631
  972   2HH1  ARG 130          HH12      ARG 130  -8.802  14.066 -22.119
  973   1HH2  ARG 130          HH21      ARG 130 -12.187  13.004 -22.327
  974   2HH2  ARG 130          HH22      ARG 130 -10.586  12.901 -23.070
  975    H    LEU 131           H        LEU 131  -9.971   9.975 -16.979
  976    HA   LEU 131           HA       LEU 131  -7.207   9.747 -16.294
  977   1HB   LEU 131          HB2       LEU 131  -9.696   8.286 -15.494
  978   2HB   LEU 131          HB3       LEU 131  -8.145   7.513 -15.187
  979    HG   LEU 131           HG       LEU 131  -8.919   8.763 -13.284
  980   1HD1  LEU 131          HD11      LEU 131  -6.812   9.779 -12.691
  981   2HD1  LEU 131          HD12      LEU 131  -6.468   8.402 -13.741
  982   3HD1  LEU 131          HD13      LEU 131  -6.388  10.062 -14.371
  983   1HD2  LEU 131          HD21      LEU 131  -8.511  11.333 -14.849
  984   2HD2  LEU 131          HD22      LEU 131 -10.080  10.637 -14.376
  985   3HD2  LEU 131          HD23      LEU 131  -8.949  11.173 -13.138
  986    H    LYS 132           H        LYS 132  -9.248   7.843 -18.499
  987    HA   LYS 132           HA       LYS 132  -7.324   5.880 -19.153
  988   1HB   LYS 132          HB2       LYS 132  -9.502   5.458 -19.823
  989   2HB   LYS 132          HB3       LYS 132  -9.774   7.059 -20.450
  990   1HG   LYS 132          HG2       LYS 132  -7.929   5.106 -21.869
  991   2HG   LYS 132          HG3       LYS 132  -9.682   5.087 -22.067
  992   1HD   LYS 132          HD2       LYS 132  -9.266   7.734 -22.545
  993   2HD   LYS 132          HD3       LYS 132  -7.689   7.099 -23.032
  994   1HE   LYS 132          HE2       LYS 132  -8.926   7.144 -24.999
  995   2HE   LYS 132          HE3       LYS 132  -8.940   5.441 -24.519
  996   1HZ   LYS 132          HZ1       LYS 132 -11.128   7.398 -24.051
  997   2HZ   LYS 132          HZ2       LYS 132 -11.124   6.255 -25.222
  998   3HZ   LYS 132          HZ3       LYS 132 -11.193   5.799 -23.659
  999    H    GLU 133           H        GLU 133  -7.854   9.084 -20.723
 1000    HA   GLU 133           HA       GLU 133  -5.648   8.785 -22.553
 1001   1HB   GLU 133          HB2       GLU 133  -6.896  11.249 -21.252
 1002   2HB   GLU 133          HB3       GLU 133  -5.579  11.329 -22.432
 1003   1HG   GLU 133          HG2       GLU 133  -6.935  10.492 -24.192
 1004   2HG   GLU 133          HG3       GLU 133  -8.237  10.032 -23.089
 1005    H    PHE 134           H        PHE 134  -5.854  10.311 -19.305
 1006    HA   PHE 134           HA       PHE 134  -3.181  11.122 -19.223
 1007   1HB   PHE 134          HB2       PHE 134  -4.810  12.012 -17.747
 1008   2HB   PHE 134          HB3       PHE 134  -5.248  10.416 -17.138
 1009    HD1  PHE 134           HD1      PHE 134  -2.453  12.907 -17.184
 1010    HD2  PHE 134           HD2      PHE 134  -4.219   9.475 -15.275
 1011    HE1  PHE 134           HE1      PHE 134  -0.772  13.053 -15.383
 1012    HE2  PHE 134           HE2      PHE 134  -2.546   9.638 -13.435
 1013    HZ   PHE 134           HZ       PHE 134  -0.837  11.440 -13.501
 1014    H    ALA 135           H        ALA 135  -4.593   7.974 -18.339
 1015    HA   ALA 135           HA       ALA 135  -2.178   6.856 -17.305
 1016   1HB   ALA 135          HB1       ALA 135  -3.389   4.712 -17.444
 1017   2HB   ALA 135          HB2       ALA 135  -4.387   5.980 -16.706
 1018   3HB   ALA 135          HB3       ALA 135  -4.671   5.491 -18.393
 1019    H    GLU 136           H        GLU 136  -3.801   6.630 -20.487
 1020    HA   GLU 136           HA       GLU 136  -1.914   4.743 -21.537
 1021   1HB   GLU 136          HB2       GLU 136  -4.111   6.419 -22.799
 1022   2HB   GLU 136          HB3       GLU 136  -3.124   5.303 -23.733
 1023   1HG   GLU 136          HG2       GLU 136  -4.783   4.441 -21.321
 1024   2HG   GLU 136          HG3       GLU 136  -5.346   4.383 -22.987
 1025    H    THR 137           H        THR 137  -2.300   8.252 -21.839
 1026    HA   THR 137           HA       THR 137  -0.219   8.398 -23.814
 1027    HB   THR 137           HB       THR 137  -0.870  10.664 -24.109
 1028    HG1  THR 137           HG1      THR 137  -2.711  10.253 -22.013
 1029   1HG2  THR 137          HG21      THR 137  -3.186  10.341 -24.850
 1030   2HG2  THR 137          HG22      THR 137  -2.200   8.917 -25.242
 1031   3HG2  THR 137          HG23      THR 137  -3.325   8.862 -23.873
 1032    H    GLY 138           H        GLY 138  -0.512   8.837 -20.339
 1033   1HA   GLY 138          HA1       GLY 138   0.984   9.493 -18.745
 1034   2HA   GLY 138          HA2       GLY 138   2.286   9.476 -19.955
 1035    H    LYS 139           H        LYS 139  -0.779  11.253 -20.082
 1036    HA   LYS 139           HA       LYS 139   0.149  13.569 -21.202
 1037   1HB   LYS 139          HB2       LYS 139  -2.209  12.779 -20.967
 1038   2HB   LYS 139          HB3       LYS 139  -2.213  13.337 -19.299
 1039   1HG   LYS 139          HG2       LYS 139  -2.089  15.593 -19.901
 1040   2HG   LYS 139          HG3       LYS 139  -1.508  15.252 -21.536
 1041   1HD   LYS 139          HD2       LYS 139  -4.303  14.507 -20.562
 1042   2HD   LYS 139          HD3       LYS 139  -3.907  16.014 -21.412
 1043   1HE   LYS 139          HE2       LYS 139  -2.961  14.619 -23.299
 1044   2HE   LYS 139          HE3       LYS 139  -3.593  13.174 -22.510
 1045   1HZ   LYS 139          HZ1       LYS 139  -5.279  15.457 -23.388
 1046   2HZ   LYS 139          HZ2       LYS 139  -5.034  14.113 -24.264
 1047   3HZ   LYS 139          HZ3       LYS 139  -5.844  13.999 -22.867